USER MOD reduce.3.24.130724 H: found=0, std=0, add=202, 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 TPNH1'2 : 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= -0.418 (180deg=-0.418) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -168:sc= -0.0297 (180deg=-0.267) USER MOD Single : B 10 CPN N1' :NH3+ 180:sc= -0.184 (180deg=-0.184) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc=-0.00398 (180deg=-0.00398) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.27 (180deg=-1.27) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.0607 (180deg=-0.0607) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -0.816 (180deg=-0.816) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 16 CPN N1' :NH3+ -92:sc= 0.292 (180deg=-1.51) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -13.565 -11.266 -2.495 1.00 0.85 O ATOM 2 C5' DG A 1 -12.410 -12.044 -2.821 1.00 0.74 C ATOM 3 C4' DG A 1 -11.459 -12.160 -1.632 1.00 0.55 C ATOM 4 O4' DG A 1 -10.301 -12.963 -1.976 1.00 0.53 O ATOM 5 C3' DG A 1 -10.966 -10.783 -1.194 1.00 0.53 C ATOM 6 O3' DG A 1 -11.226 -10.570 0.202 1.00 0.57 O ATOM 7 C2' DG A 1 -9.483 -10.785 -1.488 1.00 0.48 C ATOM 8 C1' DG A 1 -9.094 -12.239 -1.663 1.00 0.43 C ATOM 9 N9 DG A 1 -8.080 -12.392 -2.725 1.00 0.49 N ATOM 10 C8 DG A 1 -8.231 -12.322 -4.081 1.00 0.63 C ATOM 11 N7 DG A 1 -7.125 -12.350 -4.763 1.00 0.68 N ATOM 12 C5 DG A 1 -6.148 -12.463 -3.776 1.00 0.53 C ATOM 13 C6 DG A 1 -4.734 -12.546 -3.897 1.00 0.53 C ATOM 14 O6 DG A 1 -4.047 -12.509 -4.915 1.00 0.68 O ATOM 15 N1 DG A 1 -4.124 -12.647 -2.656 1.00 0.40 N ATOM 16 C2 DG A 1 -4.788 -12.674 -1.448 1.00 0.34 C ATOM 17 N2 DG A 1 -4.033 -12.717 -0.357 1.00 0.38 N ATOM 18 N3 DG A 1 -6.113 -12.602 -1.330 1.00 0.36 N ATOM 19 C4 DG A 1 -6.726 -12.496 -2.528 1.00 0.42 C ATOM 0 H5' DG A 1 -11.888 -11.588 -3.662 1.00 0.74 H new ATOM 0 H5'' DG A 1 -12.719 -13.040 -3.140 1.00 0.74 H new ATOM 0 H4' DG A 1 -12.014 -12.632 -0.821 1.00 0.55 H new ATOM 0 H3' DG A 1 -11.476 -9.975 -1.719 1.00 0.53 H new ATOM 0 H2' DG A 1 -9.263 -10.211 -2.388 1.00 0.48 H new ATOM 0 H2'' DG A 1 -8.923 -10.327 -0.673 1.00 0.48 H new ATOM 0 HO5' DG A 1 -14.153 -11.209 -3.277 1.00 0.85 H new ATOM 0 H1' DG A 1 -8.642 -12.632 -0.752 1.00 0.43 H new ATOM 0 H8 DG A 1 -9.200 -12.249 -4.552 1.00 0.63 H new ATOM 0 H1 DG A 1 -3.106 -12.706 -2.635 1.00 0.40 H new ATOM 0 H21 DG A 1 -4.469 -12.739 0.565 1.00 0.38 H new ATOM 0 H22 DG A 1 -3.016 -12.728 -0.440 1.00 0.38 H new ATOM 32 P DA A 2 -10.567 -9.329 0.995 1.00 0.73 P ATOM 33 OP1 DA A 2 -11.230 -9.216 2.313 1.00 0.92 O ATOM 34 OP2 DA A 2 -10.530 -8.162 0.085 1.00 0.84 O ATOM 35 O5' DA A 2 -9.053 -9.831 1.233 1.00 0.66 O ATOM 36 C5' DA A 2 -8.749 -10.780 2.265 1.00 0.67 C ATOM 37 C4' DA A 2 -7.299 -10.662 2.734 1.00 0.65 C ATOM 38 O4' DA A 2 -6.382 -11.065 1.695 1.00 0.54 O ATOM 39 C3' DA A 2 -6.972 -9.224 3.119 1.00 0.71 C ATOM 40 O3' DA A 2 -6.682 -9.116 4.518 1.00 0.84 O ATOM 41 C2' DA A 2 -5.779 -8.838 2.280 1.00 0.59 C ATOM 42 C1' DA A 2 -5.320 -10.099 1.585 1.00 0.48 C ATOM 43 N9 DA A 2 -4.990 -9.839 0.173 1.00 0.42 N ATOM 44 C8 DA A 2 -5.825 -9.708 -0.899 1.00 0.46 C ATOM 45 N7 DA A 2 -5.229 -9.575 -2.046 1.00 0.46 N ATOM 46 C5 DA A 2 -3.878 -9.617 -1.702 1.00 0.39 C ATOM 47 C6 DA A 2 -2.706 -9.531 -2.458 1.00 0.41 C ATOM 48 N6 DA A 2 -2.700 -9.444 -3.786 1.00 0.53 N ATOM 49 N1 DA A 2 -1.540 -9.603 -1.797 1.00 0.37 N ATOM 50 C2 DA A 2 -1.522 -9.757 -0.473 1.00 0.34 C ATOM 51 N3 DA A 2 -2.571 -9.852 0.333 1.00 0.36 N ATOM 52 C4 DA A 2 -3.727 -9.772 -0.355 1.00 0.36 C ATOM 0 H5' DA A 2 -8.931 -11.789 1.896 1.00 0.67 H new ATOM 0 H5'' DA A 2 -9.419 -10.624 3.111 1.00 0.67 H new ATOM 0 H4' DA A 2 -7.189 -11.317 3.598 1.00 0.65 H new ATOM 0 H3' DA A 2 -7.817 -8.560 2.937 1.00 0.71 H new ATOM 0 H2' DA A 2 -6.047 -8.070 1.554 1.00 0.59 H new ATOM 0 H2'' DA A 2 -4.984 -8.426 2.902 1.00 0.59 H new ATOM 0 H1' DA A 2 -4.412 -10.477 2.054 1.00 0.48 H new ATOM 0 H8 DA A 2 -6.901 -9.714 -0.801 1.00 0.46 H new ATOM 0 H61 DA A 2 -1.815 -9.383 -4.289 1.00 0.53 H new ATOM 0 H62 DA A 2 -3.581 -9.438 -4.301 1.00 0.53 H new ATOM 0 H2 DA A 2 -0.549 -9.810 -0.007 1.00 0.34 H new ATOM 64 P DC A 3 -6.273 -7.700 5.173 1.00 0.94 P ATOM 65 OP1 DC A 3 -6.293 -7.849 6.646 1.00 1.15 O ATOM 66 OP2 DC A 3 -7.083 -6.639 4.530 1.00 1.08 O ATOM 67 O5' DC A 3 -4.739 -7.521 4.700 1.00 0.70 O ATOM 68 C5' DC A 3 -3.677 -8.190 5.393 1.00 0.63 C ATOM 69 C4' DC A 3 -2.301 -7.633 5.022 1.00 0.45 C ATOM 70 O4' DC A 3 -1.946 -7.956 3.661 1.00 0.40 O ATOM 71 C3' DC A 3 -2.262 -6.115 5.166 1.00 0.40 C ATOM 72 O3' DC A 3 -1.461 -5.728 6.292 1.00 0.37 O ATOM 73 C2' DC A 3 -1.675 -5.604 3.869 1.00 0.38 C ATOM 74 C1' DC A 3 -1.280 -6.831 3.063 1.00 0.35 C ATOM 75 N1 DC A 3 -1.641 -6.700 1.636 1.00 0.35 N ATOM 76 C2 DC A 3 -0.603 -6.569 0.726 1.00 0.34 C ATOM 77 O2 DC A 3 0.559 -6.507 1.117 1.00 0.40 O ATOM 78 N3 DC A 3 -0.907 -6.458 -0.591 1.00 0.35 N ATOM 79 C4 DC A 3 -2.177 -6.457 -1.006 1.00 0.37 C ATOM 80 N4 DC A 3 -2.426 -6.457 -2.314 1.00 0.43 N ATOM 81 C5 DC A 3 -3.255 -6.563 -0.071 1.00 0.39 C ATOM 82 C6 DC A 3 -2.945 -6.699 1.233 1.00 0.39 C ATOM 0 H5' DC A 3 -3.710 -9.255 5.163 1.00 0.63 H new ATOM 0 H5'' DC A 3 -3.829 -8.092 6.468 1.00 0.63 H new ATOM 0 H4' DC A 3 -1.591 -8.094 5.708 1.00 0.45 H new ATOM 0 H3' DC A 3 -3.253 -5.698 5.346 1.00 0.40 H new ATOM 0 H2' DC A 3 -2.401 -5.000 3.326 1.00 0.38 H new ATOM 0 H2'' DC A 3 -0.810 -4.969 4.058 1.00 0.38 H new ATOM 0 H1' DC A 3 -0.198 -6.958 3.085 1.00 0.35 H new ATOM 0 H41 DC A 3 -3.389 -6.456 -2.650 1.00 0.43 H new ATOM 0 H42 DC A 3 -1.654 -6.458 -2.980 1.00 0.43 H new ATOM 0 H5 DC A 3 -4.283 -6.535 -0.400 1.00 0.39 H new ATOM 0 H6 DC A 3 -3.733 -6.808 1.964 1.00 0.39 H new ATOM 94 P DA A 4 -0.994 -4.198 6.495 1.00 0.36 P ATOM 95 OP1 DA A 4 -0.353 -4.080 7.823 1.00 0.40 O ATOM 96 OP2 DA A 4 -2.128 -3.314 6.142 1.00 0.45 O ATOM 97 O5' DA A 4 0.147 -4.027 5.367 1.00 0.34 O ATOM 98 C5' DA A 4 1.457 -4.576 5.563 1.00 0.30 C ATOM 99 C4' DA A 4 2.479 -3.963 4.608 1.00 0.28 C ATOM 100 O4' DA A 4 2.212 -4.347 3.236 1.00 0.31 O ATOM 101 C3' DA A 4 2.451 -2.439 4.685 1.00 0.31 C ATOM 102 O3' DA A 4 3.716 -1.921 5.122 1.00 0.39 O ATOM 103 C2' DA A 4 2.114 -1.982 3.287 1.00 0.31 C ATOM 104 C1' DA A 4 2.297 -3.185 2.391 1.00 0.30 C ATOM 105 N9 DA A 4 1.270 -3.192 1.340 1.00 0.30 N ATOM 106 C8 DA A 4 -0.077 -3.283 1.471 1.00 0.35 C ATOM 107 N7 DA A 4 -0.751 -3.183 0.364 1.00 0.36 N ATOM 108 C5 DA A 4 0.247 -2.979 -0.588 1.00 0.30 C ATOM 109 C6 DA A 4 0.215 -2.776 -1.972 1.00 0.32 C ATOM 110 N6 DA A 4 -0.912 -2.697 -2.678 1.00 0.36 N ATOM 111 N1 DA A 4 1.392 -2.607 -2.596 1.00 0.32 N ATOM 112 C2 DA A 4 2.530 -2.632 -1.905 1.00 0.32 C ATOM 113 N3 DA A 4 2.671 -2.818 -0.600 1.00 0.30 N ATOM 114 C4 DA A 4 1.480 -2.985 0.001 1.00 0.28 C ATOM 0 H5' DA A 4 1.424 -5.656 5.416 1.00 0.30 H new ATOM 0 H5'' DA A 4 1.773 -4.404 6.592 1.00 0.30 H new ATOM 0 H4' DA A 4 3.457 -4.336 4.912 1.00 0.28 H new ATOM 0 H3' DA A 4 1.722 -2.078 5.410 1.00 0.31 H new ATOM 0 H2' DA A 4 1.090 -1.611 3.236 1.00 0.31 H new ATOM 0 H2'' DA A 4 2.765 -1.164 2.978 1.00 0.31 H new ATOM 0 H1' DA A 4 3.260 -3.167 1.882 1.00 0.30 H new ATOM 0 H8 DA A 4 -0.556 -3.428 2.428 1.00 0.35 H new ATOM 0 H61 DA A 4 -0.873 -2.548 -3.686 1.00 0.36 H new ATOM 0 H62 DA A 4 -1.814 -2.786 -2.210 1.00 0.36 H new ATOM 0 H2 DA A 4 3.438 -2.484 -2.470 1.00 0.32 H new ATOM 126 P DT A 5 4.076 -0.355 4.972 1.00 0.46 P ATOM 127 OP1 DT A 5 5.262 -0.067 5.810 1.00 0.59 O ATOM 128 OP2 DT A 5 2.833 0.429 5.157 1.00 0.51 O ATOM 129 O5' DT A 5 4.512 -0.250 3.422 1.00 0.40 O ATOM 130 C5' DT A 5 5.559 -1.081 2.907 1.00 0.38 C ATOM 131 C4' DT A 5 6.105 -0.565 1.578 1.00 0.35 C ATOM 132 O4' DT A 5 5.206 -0.871 0.488 1.00 0.33 O ATOM 133 C3' DT A 5 6.308 0.949 1.610 1.00 0.32 C ATOM 134 O3' DT A 5 7.691 1.282 1.388 1.00 0.35 O ATOM 135 C2' DT A 5 5.433 1.475 0.502 1.00 0.26 C ATOM 136 C1' DT A 5 5.119 0.278 -0.367 1.00 0.27 C ATOM 137 N1 DT A 5 3.797 0.395 -1.000 1.00 0.26 N ATOM 138 C2 DT A 5 3.770 0.699 -2.347 1.00 0.27 C ATOM 139 O2 DT A 5 4.793 0.894 -2.997 1.00 0.36 O ATOM 140 N3 DT A 5 2.524 0.816 -2.917 1.00 0.27 N ATOM 141 C4 DT A 5 1.317 0.656 -2.271 1.00 0.28 C ATOM 142 O4 DT A 5 0.261 0.749 -2.895 1.00 0.34 O ATOM 143 C5 DT A 5 1.443 0.351 -0.860 1.00 0.29 C ATOM 144 C7 DT A 5 0.199 0.243 0.006 1.00 0.35 C ATOM 145 C6 DT A 5 2.651 0.224 -0.281 1.00 0.27 C ATOM 0 H5' DT A 5 5.183 -2.095 2.774 1.00 0.38 H new ATOM 0 H5'' DT A 5 6.369 -1.134 3.634 1.00 0.38 H new ATOM 0 H4' DT A 5 7.062 -1.064 1.423 1.00 0.35 H new ATOM 0 H3' DT A 5 6.046 1.384 2.575 1.00 0.32 H new ATOM 0 H2' DT A 5 4.522 1.921 0.900 1.00 0.26 H new ATOM 0 H2'' DT A 5 5.945 2.250 -0.068 1.00 0.26 H new ATOM 0 H1' DT A 5 5.824 0.199 -1.194 1.00 0.27 H new ATOM 0 H3 DT A 5 2.490 1.042 -3.911 1.00 0.27 H new ATOM 0 H71 DT A 5 0.379 -0.464 0.815 1.00 0.35 H new ATOM 0 H72 DT A 5 -0.039 1.221 0.425 1.00 0.35 H new ATOM 0 H73 DT A 5 -0.637 -0.105 -0.600 1.00 0.35 H new ATOM 0 H6 DT A 5 2.714 -0.017 0.770 1.00 0.27 H new ATOM 158 P DA A 6 8.202 2.816 1.351 1.00 0.35 P ATOM 159 OP1 DA A 6 9.162 3.006 2.460 1.00 0.49 O ATOM 160 OP2 DA A 6 7.020 3.703 1.244 1.00 0.37 O ATOM 161 O5' DA A 6 9.023 2.891 -0.042 1.00 0.33 O ATOM 162 C5' DA A 6 8.358 2.757 -1.310 1.00 0.30 C ATOM 163 C4' DA A 6 8.228 4.095 -2.039 1.00 0.26 C ATOM 164 O4' DA A 6 7.300 3.981 -3.140 1.00 0.27 O ATOM 165 C3' DA A 6 7.720 5.190 -1.111 1.00 0.25 C ATOM 166 O3' DA A 6 8.773 6.099 -0.764 1.00 0.32 O ATOM 167 C2' DA A 6 6.611 5.882 -1.861 1.00 0.23 C ATOM 168 C1' DA A 6 6.386 5.097 -3.138 1.00 0.21 C ATOM 169 N9 DA A 6 4.985 4.640 -3.221 1.00 0.24 N ATOM 170 C8 DA A 6 4.285 3.863 -2.341 1.00 0.31 C ATOM 171 N7 DA A 6 3.015 3.753 -2.591 1.00 0.36 N ATOM 172 C5 DA A 6 2.857 4.513 -3.746 1.00 0.30 C ATOM 173 C6 DA A 6 1.745 4.808 -4.539 1.00 0.33 C ATOM 174 N6 DA A 6 0.517 4.368 -4.268 1.00 0.45 N ATOM 175 N1 DA A 6 1.939 5.587 -5.614 1.00 0.31 N ATOM 176 C2 DA A 6 3.154 6.052 -5.897 1.00 0.28 C ATOM 177 N3 DA A 6 4.273 5.837 -5.214 1.00 0.24 N ATOM 178 C4 DA A 6 4.049 5.052 -4.140 1.00 0.23 C ATOM 0 H5' DA A 6 7.366 2.332 -1.155 1.00 0.30 H new ATOM 0 H5'' DA A 6 8.911 2.056 -1.936 1.00 0.30 H new ATOM 0 H4' DA A 6 9.222 4.357 -2.401 1.00 0.26 H new ATOM 0 H3' DA A 6 7.358 4.782 -0.167 1.00 0.25 H new ATOM 0 H2' DA A 6 5.701 5.914 -1.262 1.00 0.23 H new ATOM 0 H2'' DA A 6 6.882 6.914 -2.085 1.00 0.23 H new ATOM 0 H1' DA A 6 6.572 5.725 -4.010 1.00 0.21 H new ATOM 0 H8 DA A 6 4.754 3.376 -1.499 1.00 0.31 H new ATOM 0 H61 DA A 6 -0.260 4.614 -4.882 1.00 0.45 H new ATOM 0 H62 DA A 6 0.354 3.785 -3.447 1.00 0.45 H new ATOM 0 H2 DA A 6 3.239 6.671 -6.778 1.00 0.28 H new ATOM 190 P DG A 7 8.456 7.519 -0.066 1.00 0.37 P ATOM 191 OP1 DG A 7 9.739 8.127 0.352 1.00 0.51 O ATOM 192 OP2 DG A 7 7.375 7.322 0.925 1.00 0.42 O ATOM 193 O5' DG A 7 7.863 8.383 -1.294 1.00 0.32 O ATOM 194 C5' DG A 7 8.720 8.819 -2.357 1.00 0.34 C ATOM 195 C4' DG A 7 7.969 9.649 -3.397 1.00 0.31 C ATOM 196 O4' DG A 7 6.993 8.857 -4.106 1.00 0.30 O ATOM 197 C3' DG A 7 7.219 10.802 -2.743 1.00 0.35 C ATOM 198 O3' DG A 7 7.958 12.035 -2.805 1.00 0.44 O ATOM 199 C2' DG A 7 5.919 10.904 -3.499 1.00 0.32 C ATOM 200 C1' DG A 7 5.819 9.660 -4.358 1.00 0.27 C ATOM 201 N9 DG A 7 4.589 8.950 -4.009 1.00 0.24 N ATOM 202 C8 DG A 7 4.293 8.281 -2.861 1.00 0.27 C ATOM 203 N7 DG A 7 3.050 7.914 -2.740 1.00 0.29 N ATOM 204 C5 DG A 7 2.464 8.403 -3.908 1.00 0.26 C ATOM 205 C6 DG A 7 1.116 8.337 -4.354 1.00 0.31 C ATOM 206 O6 DG A 7 0.148 7.826 -3.796 1.00 0.38 O ATOM 207 N1 DG A 7 0.956 8.966 -5.580 1.00 0.29 N ATOM 208 C2 DG A 7 1.965 9.575 -6.295 1.00 0.26 C ATOM 209 N2 DG A 7 1.613 10.177 -7.422 1.00 0.33 N ATOM 210 N3 DG A 7 3.228 9.631 -5.885 1.00 0.25 N ATOM 211 C4 DG A 7 3.403 9.033 -4.689 1.00 0.23 C ATOM 0 H5' DG A 7 9.167 7.951 -2.841 1.00 0.34 H new ATOM 0 H5'' DG A 7 9.538 9.410 -1.944 1.00 0.34 H new ATOM 0 H4' DG A 7 8.725 10.023 -4.088 1.00 0.31 H new ATOM 0 H3' DG A 7 7.062 10.619 -1.680 1.00 0.35 H new ATOM 0 H2' DG A 7 5.075 10.969 -2.812 1.00 0.32 H new ATOM 0 H2'' DG A 7 5.899 11.803 -4.115 1.00 0.32 H new ATOM 0 H1' DG A 7 5.778 9.899 -5.421 1.00 0.27 H new ATOM 0 H8 DG A 7 5.035 8.070 -2.106 1.00 0.27 H new ATOM 0 H1 DG A 7 0.019 8.979 -5.984 1.00 0.29 H new ATOM 0 H21 DG A 7 2.318 10.644 -7.992 1.00 0.33 H new ATOM 0 H22 DG A 7 0.637 10.173 -7.719 1.00 0.33 H new ATOM 223 P DC A 8 8.300 12.756 -4.214 1.00 0.46 P ATOM 224 OP1 DC A 8 8.937 11.761 -5.103 1.00 0.53 O ATOM 225 OP2 DC A 8 8.995 14.028 -3.920 1.00 0.61 O ATOM 226 O5' DC A 8 6.843 13.112 -4.816 1.00 0.45 O ATOM 227 C5' DC A 8 6.710 13.547 -6.177 1.00 0.57 C ATOM 228 C4' DC A 8 5.338 14.159 -6.461 1.00 0.55 C ATOM 229 O4' DC A 8 4.285 13.190 -6.305 1.00 0.44 O ATOM 230 C3' DC A 8 5.044 15.318 -5.520 1.00 0.61 C ATOM 231 O3' DC A 8 5.291 16.579 -6.149 1.00 0.82 O ATOM 232 C2' DC A 8 3.592 15.163 -5.139 1.00 0.57 C ATOM 233 C1' DC A 8 3.147 13.807 -5.674 1.00 0.43 C ATOM 234 N1 DC A 8 2.624 12.940 -4.595 1.00 0.35 N ATOM 235 C2 DC A 8 1.378 12.359 -4.785 1.00 0.38 C ATOM 236 O2 DC A 8 0.712 12.624 -5.783 1.00 0.48 O ATOM 237 N3 DC A 8 0.885 11.559 -3.805 1.00 0.43 N ATOM 238 C4 DC A 8 1.570 11.353 -2.676 1.00 0.45 C ATOM 239 N4 DC A 8 1.083 10.512 -1.766 1.00 0.58 N ATOM 240 C5 DC A 8 2.840 11.970 -2.463 1.00 0.45 C ATOM 241 C6 DC A 8 3.335 12.740 -3.448 1.00 0.39 C ATOM 0 H5' DC A 8 6.872 12.700 -6.844 1.00 0.57 H new ATOM 0 H5'' DC A 8 7.485 14.281 -6.399 1.00 0.57 H new ATOM 0 H4' DC A 8 5.369 14.511 -7.492 1.00 0.55 H new ATOM 0 H3' DC A 8 5.692 15.300 -4.644 1.00 0.61 H new ATOM 0 H2' DC A 8 3.467 15.213 -4.057 1.00 0.57 H new ATOM 0 H2'' DC A 8 2.991 15.965 -5.567 1.00 0.57 H new ATOM 0 HO3' DC A 8 5.091 17.303 -5.520 1.00 0.82 H new ATOM 0 H1' DC A 8 2.336 13.946 -6.389 1.00 0.43 H new ATOM 0 H41 DC A 8 1.595 10.345 -0.900 1.00 0.58 H new ATOM 0 H42 DC A 8 0.198 10.034 -1.935 1.00 0.58 H new ATOM 0 H5 DC A 8 3.385 11.823 -1.542 1.00 0.45 H new ATOM 0 H6 DC A 8 4.303 13.204 -3.330 1.00 0.39 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.960 12.159 -3.631 1.00 0.65 C HETATM 256 C7' GPN B 9 -7.661 11.698 -4.909 1.00 0.65 C HETATM 257 O7' GPN B 9 -7.203 10.771 -5.551 1.00 0.64 O HETATM 258 C5' GPN B 9 -9.406 11.889 -6.607 1.00 0.76 C HETATM 259 C' GPN B 9 -8.549 11.890 -7.876 1.00 0.67 C HETATM 260 O1' GPN B 9 -8.892 11.268 -8.861 1.00 0.70 O HETATM 261 N4' GPN B 9 -8.756 12.308 -5.325 1.00 0.71 N HETATM 262 C3' GPN B 9 -9.357 13.421 -4.525 1.00 0.78 C HETATM 263 C2' GPN B 9 -10.207 12.845 -3.393 1.00 0.87 C HETATM 264 N1' GPN B 9 -10.405 11.554 -3.382 1.00 0.94 N HETATM 265 N9 GPN B 9 -5.835 11.349 -3.110 1.00 0.62 N HETATM 266 C8 GPN B 9 -5.815 10.455 -2.077 1.00 0.67 C HETATM 267 N7 GPN B 9 -4.645 9.977 -1.784 1.00 0.65 N HETATM 268 C5 GPN B 9 -3.806 10.596 -2.711 1.00 0.57 C HETATM 269 C6 GPN B 9 -2.404 10.471 -2.893 1.00 0.56 C HETATM 270 O6 GPN B 9 -1.611 9.778 -2.264 1.00 0.62 O HETATM 271 N1 GPN B 9 -1.952 11.264 -3.934 1.00 0.50 N HETATM 272 C2 GPN B 9 -2.747 12.073 -4.715 1.00 0.47 C HETATM 273 N2 GPN B 9 -2.136 12.722 -5.700 1.00 0.46 N HETATM 274 N3 GPN B 9 -4.065 12.197 -4.550 1.00 0.51 N HETATM 275 C4 GPN B 9 -4.527 11.433 -3.532 1.00 0.55 C HETATM 0 HN22 GPN B 9 -2.670 13.337 -6.314 1.00 0.46 H new HETATM 0 HN21 GPN B 9 -1.133 12.605 -5.842 1.00 0.46 H new HETATM 0 H8'2 GPN B 9 -6.589 13.170 -3.803 1.00 0.65 H new HETATM 0 H8'1 GPN B 9 -7.713 12.225 -2.845 1.00 0.65 H new HETATM 0 H5'2 GPN B 9 -10.260 12.544 -6.779 1.00 0.76 H new HETATM 0 H5'1 GPN B 9 -9.799 10.882 -6.469 1.00 0.76 H new HETATM 0 H3'2 GPN B 9 -8.569 14.053 -4.115 1.00 0.78 H new HETATM 0 H3'1 GPN B 9 -9.970 14.053 -5.167 1.00 0.78 H new HETATM 0 H2'2 GPN B 9 -9.739 13.121 -2.448 1.00 0.87 H new HETATM 0 H2'1 GPN B 9 -11.181 13.334 -3.422 1.00 0.87 H new HETATM 0 H1'3 GPN B 9 -11.137 11.327 -2.708 1.00 0.94 H new HETATM 0 H1'2 GPN B 9 -10.692 11.246 -4.311 1.00 0.94 H new HETATM 0 H1'1 GPN B 9 -9.542 11.079 -3.118 1.00 0.94 H new HETATM 0 HN1 GPN B 9 -0.953 11.248 -4.138 1.00 0.50 H new HETATM 0 H8 GPN B 9 -6.717 10.164 -1.538 1.00 0.67 H new HETATM 290 C8' CPN B 10 -3.583 11.248 -8.537 1.00 0.39 C HETATM 291 C7' CPN B 10 -3.860 11.144 -10.035 1.00 0.40 C HETATM 292 O7' CPN B 10 -2.924 11.086 -10.806 1.00 0.42 O HETATM 293 C5' CPN B 10 -5.346 11.185 -11.984 1.00 0.48 C HETATM 294 C' CPN B 10 -4.608 10.190 -12.880 1.00 0.45 C HETATM 295 O1' CPN B 10 -4.324 10.491 -14.024 1.00 0.51 O HETATM 296 N4' CPN B 10 -5.100 11.176 -10.504 1.00 0.44 N HETATM 297 C3' CPN B 10 -6.282 11.203 -9.579 1.00 0.47 C HETATM 298 C2' CPN B 10 -6.504 12.617 -9.031 1.00 0.50 C HETATM 299 N1' CPN B 10 -7.435 12.585 -7.855 1.00 0.58 N HETATM 300 N1 CPN B 10 -3.387 10.065 -7.690 1.00 0.37 N HETATM 301 C2 CPN B 10 -2.059 9.761 -7.314 1.00 0.33 C HETATM 302 N3 CPN B 10 -1.855 9.046 -6.168 1.00 0.33 N HETATM 303 C4 CPN B 10 -2.891 8.656 -5.423 1.00 0.37 C HETATM 304 C5 CPN B 10 -4.234 8.945 -5.820 1.00 0.43 C HETATM 305 C6 CPN B 10 -4.431 9.597 -6.964 1.00 0.44 C HETATM 306 O2 CPN B 10 -1.100 10.169 -7.986 1.00 0.34 O HETATM 307 N4 CPN B 10 -2.663 7.930 -4.332 1.00 0.41 N HETATM 0 HN42 CPN B 10 -3.443 7.623 -3.751 1.00 0.41 H new HETATM 0 HN41 CPN B 10 -1.708 7.680 -4.076 1.00 0.41 H new HETATM 0 H8'2 CPN B 10 -2.690 11.863 -8.426 1.00 0.39 H new HETATM 0 H8'1 CPN B 10 -4.412 11.808 -8.104 1.00 0.39 H new HETATM 0 H5'2 CPN B 10 -5.112 12.186 -12.347 1.00 0.48 H new HETATM 0 H5'1 CPN B 10 -6.414 11.032 -12.138 1.00 0.48 H new HETATM 0 H3'2 CPN B 10 -7.174 10.868 -10.109 1.00 0.47 H new HETATM 0 H3'1 CPN B 10 -6.122 10.508 -8.755 1.00 0.47 H new HETATM 0 H2'2 CPN B 10 -5.550 13.053 -8.735 1.00 0.50 H new HETATM 0 H2'1 CPN B 10 -6.917 13.255 -9.812 1.00 0.50 H new HETATM 0 H1'1 CPN B 10 -7.572 13.533 -7.503 1.00 0.58 H new HETATM 0 H6 CPN B 10 -5.448 9.757 -7.322 1.00 0.44 H new HETATM 0 H5 CPN B 10 -5.077 8.639 -5.200 1.00 0.43 H new HETATM 321 C8' TPN B 11 -0.818 7.840 -10.534 1.00 0.31 C HETATM 322 C7' TPN B 11 -0.837 6.763 -11.629 1.00 0.36 C HETATM 323 O7' TPN B 11 -0.329 5.686 -11.393 1.00 0.39 O HETATM 324 C5' TPN B 11 -1.328 5.894 -13.861 1.00 0.50 C HETATM 325 C' TPN B 11 -0.068 5.028 -13.959 1.00 0.49 C HETATM 326 O1' TPN B 11 -0.129 3.903 -14.420 1.00 0.53 O HETATM 327 N4' TPN B 11 -1.384 6.971 -12.817 1.00 0.41 N HETATM 328 C3' TPN B 11 -2.062 8.262 -13.152 1.00 0.42 C HETATM 329 C2' TPN B 11 -3.571 8.029 -13.269 1.00 0.46 C HETATM 330 N1' TPN B 11 -4.287 9.018 -12.409 1.00 0.42 N HETATM 331 N1 TPN B 11 -1.094 7.359 -9.177 1.00 0.29 N HETATM 332 C6 TPN B 11 -2.352 6.958 -8.858 1.00 0.33 C HETATM 333 C2 TPN B 11 -0.024 7.137 -8.331 1.00 0.26 C HETATM 334 O2 TPN B 11 1.101 7.571 -8.563 1.00 0.32 O HETATM 335 N3 TPN B 11 -0.306 6.442 -7.177 1.00 0.27 N HETATM 336 C4 TPN B 11 -1.547 5.977 -6.787 1.00 0.31 C HETATM 337 O4 TPN B 11 -1.670 5.329 -5.753 1.00 0.39 O HETATM 338 C5 TPN B 11 -2.609 6.288 -7.718 1.00 0.34 C HETATM 339 C5M TPN B 11 -4.032 5.818 -7.427 1.00 0.43 C HETATM 0 HM53 TPN B 11 -4.699 6.679 -7.388 1.00 0.43 H new HETATM 0 HM52 TPN B 11 -4.360 5.141 -8.216 1.00 0.43 H new HETATM 0 HM51 TPN B 11 -4.055 5.298 -6.469 1.00 0.43 H new HETATM 0 H8'2 TPN B 11 0.159 8.322 -10.539 1.00 0.31 H new HETATM 0 H8'1 TPN B 11 -1.552 8.605 -10.787 1.00 0.31 H new HETATM 0 H5'2 TPN B 11 -1.480 6.366 -14.831 1.00 0.50 H new HETATM 0 H5'1 TPN B 11 -2.175 5.228 -13.694 1.00 0.50 H new HETATM 0 H3'2 TPN B 11 -1.856 9.004 -12.381 1.00 0.42 H new HETATM 0 H3'1 TPN B 11 -1.670 8.659 -14.089 1.00 0.42 H new HETATM 0 H2'2 TPN B 11 -3.888 8.134 -14.307 1.00 0.46 H new HETATM 0 H2'1 TPN B 11 -3.820 7.013 -12.961 1.00 0.46 H new HETATM 0 H1'3 TPN B 11 -5.293 8.868 -12.483 1.00 0.42 H new HETATM 0 HN3 TPN B 11 0.476 6.252 -6.550 1.00 0.27 H new HETATM 0 H6 TPN B 11 -3.172 7.183 -9.540 1.00 0.33 H new HETATM 354 C8' APN B 12 3.324 4.742 -9.741 1.00 0.25 C HETATM 355 C7' APN B 12 4.280 4.102 -10.751 1.00 0.27 C HETATM 356 O7' APN B 12 5.456 3.980 -10.471 1.00 0.32 O HETATM 357 C5' APN B 12 4.785 3.007 -12.868 1.00 0.31 C HETATM 358 C' APN B 12 5.490 1.735 -12.396 1.00 0.28 C HETATM 359 O1' APN B 12 6.514 1.348 -12.922 1.00 0.31 O HETATM 360 N4' APN B 12 3.840 3.675 -11.916 1.00 0.28 N HETATM 361 C3' APN B 12 2.406 3.854 -12.297 1.00 0.33 C HETATM 362 C2' APN B 12 2.314 4.676 -13.583 1.00 0.48 C HETATM 363 N1' APN B 12 1.075 5.511 -13.542 1.00 0.45 N HETATM 364 N9 APN B 12 2.344 3.886 -9.028 1.00 0.25 N HETATM 365 C8 APN B 12 0.994 3.763 -9.222 1.00 0.29 C HETATM 366 N7 APN B 12 0.357 3.134 -8.282 1.00 0.32 N HETATM 367 C5 APN B 12 1.371 2.777 -7.399 1.00 0.28 C HETATM 368 C6 APN B 12 1.367 2.073 -6.190 1.00 0.35 C HETATM 369 N6 APN B 12 0.248 1.645 -5.601 1.00 0.48 N HETATM 370 N1 APN B 12 2.549 1.893 -5.577 1.00 0.33 N HETATM 371 C2 APN B 12 3.669 2.375 -6.122 1.00 0.26 C HETATM 372 N3 APN B 12 3.780 3.054 -7.256 1.00 0.22 N HETATM 373 C4 APN B 12 2.583 3.219 -7.849 1.00 0.23 C HETATM 0 HN62 APN B 12 0.299 1.135 -4.719 1.00 0.48 H new HETATM 0 HN61 APN B 12 -0.658 1.828 -6.033 1.00 0.48 H new HETATM 0 H8'2 APN B 12 3.931 5.243 -8.987 1.00 0.25 H new HETATM 0 H8'1 APN B 12 2.763 5.516 -10.265 1.00 0.25 H new HETATM 0 H5'2 APN B 12 5.551 3.732 -13.144 1.00 0.31 H new HETATM 0 H5'1 APN B 12 4.232 2.766 -13.776 1.00 0.31 H new HETATM 0 H3'2 APN B 12 1.934 2.882 -12.440 1.00 0.33 H new HETATM 0 H3'1 APN B 12 1.866 4.355 -11.494 1.00 0.33 H new HETATM 0 H2'2 APN B 12 3.193 5.312 -13.686 1.00 0.48 H new HETATM 0 H2'1 APN B 12 2.294 4.016 -14.450 1.00 0.48 H new HETATM 0 H1'2 APN B 12 1.007 6.062 -14.398 1.00 0.45 H new HETATM 0 H8 APN B 12 0.491 4.164 -10.102 1.00 0.29 H new HETATM 0 H2 APN B 12 4.593 2.190 -5.575 1.00 0.26 H new HETATM 387 C8' TPN B 13 4.333 -0.539 -7.641 1.00 0.33 C HETATM 388 C7' TPN B 13 5.479 -1.516 -7.942 1.00 0.29 C HETATM 389 O7' TPN B 13 5.546 -2.573 -7.351 1.00 0.37 O HETATM 390 C5' TPN B 13 7.596 -2.090 -9.053 1.00 0.28 C HETATM 391 C' TPN B 13 8.233 -2.806 -7.850 1.00 0.25 C HETATM 392 O1' TPN B 13 9.154 -2.306 -7.229 1.00 0.28 O HETATM 393 N4' TPN B 13 6.420 -1.185 -8.815 1.00 0.24 N HETATM 394 C3' TPN B 13 6.329 0.098 -9.583 1.00 0.24 C HETATM 395 C2' TPN B 13 5.549 -0.170 -10.874 1.00 0.26 C HETATM 396 N1' TPN B 13 4.949 1.096 -11.392 1.00 0.26 N HETATM 397 N1 TPN B 13 3.047 -1.019 -7.103 1.00 0.37 N HETATM 398 C6 TPN B 13 1.898 -0.782 -7.791 1.00 0.39 C HETATM 399 C2 TPN B 13 3.027 -1.567 -5.831 1.00 0.37 C HETATM 400 O2 TPN B 13 4.041 -1.695 -5.152 1.00 0.39 O HETATM 401 N3 TPN B 13 1.778 -1.845 -5.316 1.00 0.37 N HETATM 402 C4 TPN B 13 0.569 -1.623 -5.943 1.00 0.40 C HETATM 403 O4 TPN B 13 -0.485 -1.907 -5.377 1.00 0.45 O HETATM 404 C5 TPN B 13 0.691 -1.045 -7.263 1.00 0.40 C HETATM 405 C5M TPN B 13 -0.559 -0.610 -8.023 1.00 0.42 C HETATM 0 HM53 TPN B 13 -0.548 0.472 -8.153 1.00 0.42 H new HETATM 0 HM52 TPN B 13 -0.577 -1.093 -9.000 1.00 0.42 H new HETATM 0 HM51 TPN B 13 -1.446 -0.898 -7.459 1.00 0.42 H new HETATM 0 H8'2 TPN B 13 4.719 0.198 -6.936 1.00 0.33 H new HETATM 0 H8'1 TPN B 13 4.113 -0.009 -8.568 1.00 0.33 H new HETATM 0 H5'2 TPN B 13 8.375 -1.500 -9.536 1.00 0.28 H new HETATM 0 H5'1 TPN B 13 7.286 -2.854 -9.766 1.00 0.28 H new HETATM 0 H3'2 TPN B 13 5.828 0.862 -8.988 1.00 0.24 H new HETATM 0 H3'1 TPN B 13 7.326 0.475 -9.813 1.00 0.24 H new HETATM 0 H2'2 TPN B 13 6.212 -0.599 -11.625 1.00 0.26 H new HETATM 0 H2'1 TPN B 13 4.764 -0.902 -10.687 1.00 0.26 H new HETATM 0 H1'3 TPN B 13 4.434 0.902 -12.251 1.00 0.26 H new HETATM 0 HN3 TPN B 13 1.745 -2.254 -4.382 1.00 0.37 H new HETATM 0 H6 TPN B 13 1.958 -0.368 -8.797 1.00 0.39 H new HETATM 420 C8' GPN B 14 5.686 -4.124 -4.413 1.00 0.28 C HETATM 421 C7' GPN B 14 6.744 -4.892 -3.613 1.00 0.28 C HETATM 422 O7' GPN B 14 6.416 -5.596 -2.679 1.00 0.33 O HETATM 423 C5' GPN B 14 9.100 -5.396 -3.097 1.00 0.39 C HETATM 424 C' GPN B 14 8.763 -6.700 -2.375 1.00 0.37 C HETATM 425 O1' GPN B 14 8.615 -6.752 -1.167 1.00 0.41 O HETATM 426 N4' GPN B 14 8.023 -4.739 -3.921 1.00 0.29 N HETATM 427 C3' GPN B 14 8.404 -3.901 -5.103 1.00 0.26 C HETATM 428 C2' GPN B 14 8.338 -4.764 -6.374 1.00 0.26 C HETATM 429 N1' GPN B 14 7.751 -3.979 -7.514 1.00 0.24 N HETATM 430 N9 GPN B 14 4.318 -4.652 -4.577 1.00 0.29 N HETATM 431 C8 GPN B 14 3.549 -4.652 -5.700 1.00 0.35 C HETATM 432 N7 GPN B 14 2.327 -5.058 -5.535 1.00 0.36 N HETATM 433 C5 GPN B 14 2.268 -5.342 -4.171 1.00 0.31 C HETATM 434 C6 GPN B 14 1.182 -5.813 -3.386 1.00 0.33 C HETATM 435 O6 GPN B 14 0.033 -6.061 -3.740 1.00 0.38 O HETATM 436 N1 GPN B 14 1.541 -5.960 -2.055 1.00 0.31 N HETATM 437 C2 GPN B 14 2.792 -5.694 -1.540 1.00 0.30 C HETATM 438 N2 GPN B 14 2.936 -5.841 -0.229 1.00 0.35 N HETATM 439 N3 GPN B 14 3.816 -5.258 -2.273 1.00 0.27 N HETATM 440 C4 GPN B 14 3.486 -5.101 -3.575 1.00 0.27 C HETATM 0 HN22 GPN B 14 3.839 -5.658 0.209 1.00 0.35 H new HETATM 0 HN21 GPN B 14 2.144 -6.137 0.341 1.00 0.35 H new HETATM 0 H8'2 GPN B 14 5.594 -3.139 -3.955 1.00 0.28 H new HETATM 0 H8'1 GPN B 14 6.091 -3.974 -5.414 1.00 0.28 H new HETATM 0 H5'2 GPN B 14 9.431 -4.677 -2.348 1.00 0.39 H new HETATM 0 H5'1 GPN B 14 9.950 -5.588 -3.752 1.00 0.39 H new HETATM 0 H3'2 GPN B 14 7.731 -3.048 -5.192 1.00 0.26 H new HETATM 0 H3'1 GPN B 14 9.409 -3.501 -4.972 1.00 0.26 H new HETATM 0 H2'2 GPN B 14 9.338 -5.109 -6.639 1.00 0.26 H new HETATM 0 H2'1 GPN B 14 7.734 -5.652 -6.187 1.00 0.26 H new HETATM 0 H1'1 GPN B 14 7.714 -4.565 -8.348 1.00 0.24 H new HETATM 0 HN1 GPN B 14 0.825 -6.290 -1.408 1.00 0.31 H new HETATM 0 H8 GPN B 14 3.932 -4.334 -6.669 1.00 0.35 H new HETATM 454 C8' TPN B 15 4.164 -8.810 -2.570 1.00 0.38 C HETATM 455 C7' TPN B 15 4.835 -10.123 -2.170 1.00 0.40 C HETATM 456 O7' TPN B 15 4.198 -11.160 -2.215 1.00 0.44 O HETATM 457 C5' TPN B 15 6.685 -11.404 -1.225 1.00 0.52 C HETATM 458 C' TPN B 15 5.878 -12.234 -0.210 1.00 0.56 C HETATM 459 O1' TPN B 15 6.281 -13.318 0.163 1.00 0.69 O HETATM 460 N4' TPN B 15 6.072 -10.129 -1.722 1.00 0.43 N HETATM 461 C3' TPN B 15 6.871 -8.864 -1.708 1.00 0.42 C HETATM 462 C2' TPN B 15 8.207 -9.069 -2.440 1.00 0.45 C HETATM 463 N1' TPN B 15 8.583 -7.775 -3.096 1.00 0.39 N HETATM 464 N1 TPN B 15 2.938 -8.880 -3.368 1.00 0.40 N HETATM 465 C6 TPN B 15 2.994 -8.674 -4.707 1.00 0.43 C HETATM 466 C2 TPN B 15 1.756 -9.195 -2.723 1.00 0.42 C HETATM 467 O2 TPN B 15 1.686 -9.363 -1.506 1.00 0.48 O HETATM 468 N3 TPN B 15 0.646 -9.296 -3.529 1.00 0.45 N HETATM 469 C4 TPN B 15 0.609 -9.112 -4.895 1.00 0.48 C HETATM 470 O4 TPN B 15 -0.445 -9.245 -5.510 1.00 0.54 O HETATM 471 C5 TPN B 15 1.894 -8.778 -5.479 1.00 0.48 C HETATM 472 C5M TPN B 15 2.006 -8.549 -6.983 1.00 0.61 C HETATM 0 HM53 TPN B 15 2.370 -7.539 -7.171 1.00 0.61 H new HETATM 0 HM52 TPN B 15 2.702 -9.271 -7.410 1.00 0.61 H new HETATM 0 HM51 TPN B 15 1.026 -8.673 -7.444 1.00 0.61 H new HETATM 0 H8'2 TPN B 15 3.937 -8.259 -1.657 1.00 0.38 H new HETATM 0 H8'1 TPN B 15 4.891 -8.219 -3.127 1.00 0.38 H new HETATM 0 H5'2 TPN B 15 7.646 -11.161 -0.772 1.00 0.52 H new HETATM 0 H5'1 TPN B 15 6.891 -12.037 -2.088 1.00 0.52 H new HETATM 0 H3'2 TPN B 15 6.306 -8.064 -2.186 1.00 0.42 H new HETATM 0 H3'1 TPN B 15 7.056 -8.554 -0.680 1.00 0.42 H new HETATM 0 H2'2 TPN B 15 8.981 -9.379 -1.738 1.00 0.45 H new HETATM 0 H2'1 TPN B 15 8.116 -9.860 -3.184 1.00 0.45 H new HETATM 0 H1'3 TPN B 15 9.469 -7.888 -3.589 1.00 0.39 H new HETATM 0 H1'1 TPN B 15 8.680 -7.049 -2.386 1.00 0.39 H new HETATM 0 HN3 TPN B 15 -0.235 -9.530 -3.072 1.00 0.45 H new HETATM 0 H6 TPN B 15 3.948 -8.419 -5.169 1.00 0.43 H new HETATM 487 C8' CPN B 16 1.414 -12.555 -0.816 1.00 0.41 C HETATM 488 C7' CPN B 16 1.121 -13.656 0.213 1.00 0.49 C HETATM 489 O7' CPN B 16 -0.026 -13.981 0.447 1.00 0.52 O HETATM 490 C5' CPN B 16 1.812 -15.272 1.905 1.00 0.69 C HETATM 491 C' CPN B 16 1.771 -16.741 1.486 1.00 0.84 C HETATM 492 O1' CPN B 16 1.175 -17.559 2.160 1.00 1.08 O HETATM 493 N4' CPN B 16 2.110 -14.243 0.861 1.00 0.57 N HETATM 494 C3' CPN B 16 3.537 -13.895 0.565 1.00 0.58 C HETATM 495 C2' CPN B 16 3.903 -12.556 1.212 1.00 0.54 C HETATM 496 N1' CPN B 16 4.739 -11.761 0.256 1.00 0.48 N HETATM 497 N1 CPN B 16 0.709 -12.563 -2.117 1.00 0.38 N HETATM 498 C2 CPN B 16 -0.702 -12.495 -2.126 1.00 0.36 C HETATM 499 N3 CPN B 16 -1.336 -12.392 -3.331 1.00 0.39 N HETATM 500 C4 CPN B 16 -0.637 -12.343 -4.469 1.00 0.46 C HETATM 501 C5 CPN B 16 0.795 -12.404 -4.465 1.00 0.47 C HETATM 502 C6 CPN B 16 1.421 -12.528 -3.277 1.00 0.43 C HETATM 503 O2 CPN B 16 -1.352 -12.482 -1.071 1.00 0.36 O HETATM 504 N4 CPN B 16 -1.293 -12.260 -5.623 1.00 0.55 N HETATM 0 HN42 CPN B 16 -0.776 -12.222 -6.502 1.00 0.55 H new HETATM 0 HN41 CPN B 16 -2.313 -12.235 -5.629 1.00 0.55 H new HETATM 0 H8'2 CPN B 16 1.205 -11.598 -0.338 1.00 0.41 H new HETATM 0 H8'1 CPN B 16 2.484 -12.580 -1.025 1.00 0.41 H new HETATM 0 H5'2 CPN B 16 0.847 -15.026 2.348 1.00 0.69 H new HETATM 0 H5'1 CPN B 16 2.559 -15.172 2.693 1.00 0.69 H new HETATM 0 H3'2 CPN B 16 4.195 -14.679 0.939 1.00 0.58 H new HETATM 0 H3'1 CPN B 16 3.689 -13.839 -0.513 1.00 0.58 H new HETATM 0 H2'2 CPN B 16 2.999 -12.004 1.470 1.00 0.54 H new HETATM 0 H2'1 CPN B 16 4.450 -12.724 2.140 1.00 0.54 H new HETATM 0 H1'2 CPN B 16 5.726 -11.950 0.428 1.00 0.48 H new HETATM 0 H1'1 CPN B 16 4.505 -12.024 -0.701 1.00 0.48 H new HETATM 0 H6 CPN B 16 2.508 -12.601 -3.245 1.00 0.43 H new HETATM 0 H5 CPN B 16 1.361 -12.352 -5.395 1.00 0.47 H new HETATM 518 N NH2 B 17 2.255 -17.495 2.435 1.00 1.63 N TER 521 NH2 B 17