USER MOD reduce.3.24.130724 H: found=0, std=0, add=200, 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 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= -0.989 (180deg=-0.989) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -174:sc= 0 (180deg=-0.076) USER MOD Single : B 10 CPN N1' :NH3+ -92:sc= 1.08 (180deg=-0.931) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.556 (180deg=-0.556) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -1.61! (180deg=-1.61!) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -1.7 (180deg=-1.7) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= -0.0433 (180deg=-0.0433) USER MOD Single : B 16 CPN N1' :NH3+ 180:sc= -2.29! (180deg=-2.29!) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -11.928 -10.767 -3.977 1.00 1.04 O ATOM 2 C5' DG A 1 -12.573 -11.462 -2.905 1.00 1.02 C ATOM 3 C4' DG A 1 -11.595 -11.782 -1.777 1.00 0.85 C ATOM 4 O4' DG A 1 -10.518 -12.623 -2.259 1.00 0.81 O ATOM 5 C3' DG A 1 -10.980 -10.506 -1.208 1.00 0.74 C ATOM 6 O3' DG A 1 -11.170 -10.438 0.210 1.00 0.73 O ATOM 7 C2' DG A 1 -9.514 -10.584 -1.566 1.00 0.66 C ATOM 8 C1' DG A 1 -9.247 -12.031 -1.930 1.00 0.68 C ATOM 9 N9 DG A 1 -8.299 -12.132 -3.057 1.00 0.71 N ATOM 10 C8 DG A 1 -8.506 -11.884 -4.385 1.00 0.83 C ATOM 11 N7 DG A 1 -7.446 -11.952 -5.131 1.00 0.86 N ATOM 12 C5 DG A 1 -6.443 -12.292 -4.227 1.00 0.72 C ATOM 13 C6 DG A 1 -5.059 -12.517 -4.445 1.00 0.72 C ATOM 14 O6 DG A 1 -4.427 -12.429 -5.494 1.00 0.85 O ATOM 15 N1 DG A 1 -4.404 -12.838 -3.269 1.00 0.60 N ATOM 16 C2 DG A 1 -5.001 -12.935 -2.032 1.00 0.49 C ATOM 17 N2 DG A 1 -4.202 -13.230 -1.013 1.00 0.44 N ATOM 18 N3 DG A 1 -6.300 -12.726 -1.819 1.00 0.51 N ATOM 19 C4 DG A 1 -6.958 -12.409 -2.956 1.00 0.62 C ATOM 0 H5' DG A 1 -13.011 -12.386 -3.281 1.00 1.02 H new ATOM 0 H5'' DG A 1 -13.392 -10.856 -2.517 1.00 1.02 H new ATOM 0 H4' DG A 1 -12.157 -12.299 -1.000 1.00 0.85 H new ATOM 0 H3' DG A 1 -11.445 -9.608 -1.615 1.00 0.74 H new ATOM 0 H2' DG A 1 -9.281 -9.923 -2.401 1.00 0.66 H new ATOM 0 H2'' DG A 1 -8.891 -10.272 -0.728 1.00 0.66 H new ATOM 0 HO5' DG A 1 -12.580 -10.578 -4.684 1.00 1.04 H new ATOM 0 H1' DG A 1 -8.785 -12.558 -1.096 1.00 0.68 H new ATOM 0 H8 DG A 1 -9.481 -11.648 -4.785 1.00 0.83 H new ATOM 0 H1 DG A 1 -3.401 -13.017 -3.323 1.00 0.60 H new ATOM 0 H21 DG A 1 -4.586 -13.315 -0.072 1.00 0.44 H new ATOM 0 H22 DG A 1 -3.204 -13.371 -1.172 1.00 0.44 H new ATOM 32 P DA A 2 -10.450 -9.294 1.090 1.00 0.67 P ATOM 33 OP1 DA A 2 -11.053 -9.301 2.441 1.00 0.81 O ATOM 34 OP2 DA A 2 -10.429 -8.042 0.299 1.00 0.69 O ATOM 35 O5' DA A 2 -8.940 -9.845 1.205 1.00 0.56 O ATOM 36 C5' DA A 2 -8.621 -10.923 2.095 1.00 0.54 C ATOM 37 C4' DA A 2 -7.125 -10.987 2.394 1.00 0.44 C ATOM 38 O4' DA A 2 -6.374 -11.377 1.225 1.00 0.41 O ATOM 39 C3' DA A 2 -6.605 -9.630 2.851 1.00 0.43 C ATOM 40 O3' DA A 2 -6.289 -9.636 4.247 1.00 0.50 O ATOM 41 C2' DA A 2 -5.382 -9.360 2.011 1.00 0.39 C ATOM 42 C1' DA A 2 -5.180 -10.579 1.134 1.00 0.35 C ATOM 43 N9 DA A 2 -4.904 -10.190 -0.262 1.00 0.34 N ATOM 44 C8 DA A 2 -5.732 -9.610 -1.180 1.00 0.42 C ATOM 45 N7 DA A 2 -5.178 -9.346 -2.328 1.00 0.45 N ATOM 46 C5 DA A 2 -3.871 -9.799 -2.156 1.00 0.37 C ATOM 47 C6 DA A 2 -2.754 -9.820 -3.000 1.00 0.42 C ATOM 48 N6 DA A 2 -2.789 -9.388 -4.257 1.00 0.56 N ATOM 49 N1 DA A 2 -1.614 -10.339 -2.510 1.00 0.39 N ATOM 50 C2 DA A 2 -1.580 -10.819 -1.265 1.00 0.31 C ATOM 51 N3 DA A 2 -2.575 -10.841 -0.389 1.00 0.27 N ATOM 52 C4 DA A 2 -3.699 -10.313 -0.905 1.00 0.30 C ATOM 0 H5' DA A 2 -8.944 -11.866 1.654 1.00 0.54 H new ATOM 0 H5'' DA A 2 -9.173 -10.801 3.027 1.00 0.54 H new ATOM 0 H4' DA A 2 -6.993 -11.727 3.183 1.00 0.44 H new ATOM 0 H3' DA A 2 -7.356 -8.851 2.722 1.00 0.43 H new ATOM 0 H2' DA A 2 -5.519 -8.465 1.404 1.00 0.39 H new ATOM 0 H2'' DA A 2 -4.510 -9.188 2.641 1.00 0.39 H new ATOM 0 H1' DA A 2 -4.316 -11.151 1.473 1.00 0.35 H new ATOM 0 H8 DA A 2 -6.768 -9.387 -0.970 1.00 0.42 H new ATOM 0 H61 DA A 2 -1.948 -9.424 -4.832 1.00 0.56 H new ATOM 0 H62 DA A 2 -3.657 -9.020 -4.646 1.00 0.56 H new ATOM 0 H2 DA A 2 -0.639 -11.235 -0.935 1.00 0.31 H new ATOM 64 P DC A 3 -5.720 -8.311 4.970 1.00 0.56 P ATOM 65 OP1 DC A 3 -5.794 -8.515 6.434 1.00 0.69 O ATOM 66 OP2 DC A 3 -6.373 -7.132 4.356 1.00 0.61 O ATOM 67 O5' DC A 3 -4.168 -8.313 4.532 1.00 0.49 O ATOM 68 C5' DC A 3 -3.238 -9.215 5.144 1.00 0.52 C ATOM 69 C4' DC A 3 -1.795 -8.909 4.744 1.00 0.46 C ATOM 70 O4' DC A 3 -1.572 -9.173 3.344 1.00 0.44 O ATOM 71 C3' DC A 3 -1.452 -7.448 5.005 1.00 0.43 C ATOM 72 O3' DC A 3 -0.567 -7.320 6.124 1.00 0.49 O ATOM 73 C2' DC A 3 -0.807 -6.951 3.728 1.00 0.37 C ATOM 74 C1' DC A 3 -0.745 -8.139 2.781 1.00 0.37 C ATOM 75 N1 DC A 3 -1.206 -7.780 1.424 1.00 0.37 N ATOM 76 C2 DC A 3 -0.247 -7.693 0.423 1.00 0.40 C ATOM 77 O2 DC A 3 0.942 -7.856 0.687 1.00 0.43 O ATOM 78 N3 DC A 3 -0.649 -7.360 -0.829 1.00 0.44 N ATOM 79 C4 DC A 3 -1.934 -7.106 -1.094 1.00 0.43 C ATOM 80 N4 DC A 3 -2.295 -6.864 -2.353 1.00 0.50 N ATOM 81 C5 DC A 3 -2.924 -7.169 -0.064 1.00 0.40 C ATOM 82 C6 DC A 3 -2.522 -7.523 1.171 1.00 0.39 C ATOM 0 H5' DC A 3 -3.484 -10.238 4.859 1.00 0.52 H new ATOM 0 H5'' DC A 3 -3.334 -9.154 6.228 1.00 0.52 H new ATOM 0 H4' DC A 3 -1.160 -9.557 5.349 1.00 0.46 H new ATOM 0 H3' DC A 3 -2.336 -6.863 5.257 1.00 0.43 H new ATOM 0 H2' DC A 3 -1.387 -6.138 3.292 1.00 0.37 H new ATOM 0 H2'' DC A 3 0.191 -6.560 3.925 1.00 0.37 H new ATOM 0 H1' DC A 3 0.285 -8.478 2.675 1.00 0.37 H new ATOM 0 H41 DC A 3 -3.271 -6.668 -2.575 1.00 0.50 H new ATOM 0 H42 DC A 3 -1.595 -6.875 -3.095 1.00 0.50 H new ATOM 0 H5 DC A 3 -3.959 -6.940 -0.270 1.00 0.40 H new ATOM 0 H6 DC A 3 -3.247 -7.604 1.968 1.00 0.39 H new ATOM 94 P DA A 4 0.073 -5.894 6.510 1.00 0.50 P ATOM 95 OP1 DA A 4 0.766 -6.032 7.811 1.00 0.59 O ATOM 96 OP2 DA A 4 -0.967 -4.854 6.335 1.00 0.56 O ATOM 97 O5' DA A 4 1.187 -5.694 5.361 1.00 0.41 O ATOM 98 C5' DA A 4 2.534 -6.139 5.561 1.00 0.41 C ATOM 99 C4' DA A 4 3.531 -5.259 4.814 1.00 0.35 C ATOM 100 O4' DA A 4 3.471 -5.494 3.385 1.00 0.36 O ATOM 101 C3' DA A 4 3.234 -3.782 5.061 1.00 0.32 C ATOM 102 O3' DA A 4 4.341 -3.126 5.684 1.00 0.36 O ATOM 103 C2' DA A 4 2.951 -3.209 3.697 1.00 0.31 C ATOM 104 C1' DA A 4 3.448 -4.229 2.701 1.00 0.33 C ATOM 105 N9 DA A 4 2.571 -4.251 1.526 1.00 0.32 N ATOM 106 C8 DA A 4 1.251 -4.561 1.458 1.00 0.34 C ATOM 107 N7 DA A 4 0.698 -4.382 0.296 1.00 0.34 N ATOM 108 C5 DA A 4 1.749 -3.883 -0.471 1.00 0.31 C ATOM 109 C6 DA A 4 1.837 -3.467 -1.800 1.00 0.33 C ATOM 110 N6 DA A 4 0.799 -3.455 -2.633 1.00 0.36 N ATOM 111 N1 DA A 4 3.030 -3.030 -2.231 1.00 0.32 N ATOM 112 C2 DA A 4 4.076 -2.999 -1.407 1.00 0.30 C ATOM 113 N3 DA A 4 4.100 -3.370 -0.134 1.00 0.30 N ATOM 114 C4 DA A 4 2.891 -3.804 0.272 1.00 0.30 C ATOM 0 H5' DA A 4 2.632 -7.170 5.221 1.00 0.41 H new ATOM 0 H5'' DA A 4 2.767 -6.131 6.626 1.00 0.41 H new ATOM 0 H4' DA A 4 4.523 -5.514 5.187 1.00 0.35 H new ATOM 0 H3' DA A 4 2.393 -3.644 5.741 1.00 0.32 H new ATOM 0 H2' DA A 4 1.885 -3.024 3.566 1.00 0.31 H new ATOM 0 H2'' DA A 4 3.459 -2.254 3.563 1.00 0.31 H new ATOM 0 H1' DA A 4 4.446 -3.989 2.335 1.00 0.33 H new ATOM 0 H8 DA A 4 0.699 -4.930 2.310 1.00 0.34 H new ATOM 0 H61 DA A 4 0.921 -3.140 -3.596 1.00 0.36 H new ATOM 0 H62 DA A 4 -0.119 -3.760 -2.309 1.00 0.36 H new ATOM 0 H2 DA A 4 5.004 -2.632 -1.820 1.00 0.30 H new ATOM 126 P DT A 5 4.352 -1.523 5.866 1.00 0.40 P ATOM 127 OP1 DT A 5 5.505 -1.162 6.721 1.00 0.54 O ATOM 128 OP2 DT A 5 2.988 -1.087 6.241 1.00 0.47 O ATOM 129 O5' DT A 5 4.650 -1.006 4.366 1.00 0.34 O ATOM 130 C5' DT A 5 5.954 -1.153 3.792 1.00 0.37 C ATOM 131 C4' DT A 5 6.277 -0.029 2.810 1.00 0.38 C ATOM 132 O4' DT A 5 5.759 -0.316 1.492 1.00 0.36 O ATOM 133 C3' DT A 5 5.676 1.296 3.272 1.00 0.39 C ATOM 134 O3' DT A 5 6.711 2.211 3.665 1.00 0.58 O ATOM 135 C2' DT A 5 4.880 1.805 2.086 1.00 0.32 C ATOM 136 C1' DT A 5 5.212 0.887 0.925 1.00 0.29 C ATOM 137 N1 DT A 5 4.026 0.590 0.098 1.00 0.22 N ATOM 138 C2 DT A 5 4.023 1.066 -1.203 1.00 0.26 C ATOM 139 O2 DT A 5 4.957 1.708 -1.671 1.00 0.34 O ATOM 140 N3 DT A 5 2.904 0.775 -1.953 1.00 0.28 N ATOM 141 C4 DT A 5 1.803 0.061 -1.523 1.00 0.32 C ATOM 142 O4 DT A 5 0.889 -0.199 -2.296 1.00 0.46 O ATOM 143 C5 DT A 5 1.888 -0.379 -0.149 1.00 0.28 C ATOM 144 C7 DT A 5 0.686 -1.043 0.504 1.00 0.37 C ATOM 145 C6 DT A 5 2.974 -0.122 0.600 1.00 0.21 C ATOM 0 H5' DT A 5 6.018 -2.112 3.279 1.00 0.37 H new ATOM 0 H5'' DT A 5 6.700 -1.166 4.586 1.00 0.37 H new ATOM 0 H4' DT A 5 7.364 0.046 2.772 1.00 0.38 H new ATOM 0 H3' DT A 5 5.039 1.183 4.149 1.00 0.39 H new ATOM 0 H2' DT A 5 3.811 1.790 2.300 1.00 0.32 H new ATOM 0 H2'' DT A 5 5.145 2.837 1.854 1.00 0.32 H new ATOM 0 H1' DT A 5 5.927 1.369 0.258 1.00 0.29 H new ATOM 0 H3 DT A 5 2.888 1.118 -2.913 1.00 0.28 H new ATOM 0 H71 DT A 5 1.027 -1.752 1.259 1.00 0.37 H new ATOM 0 H72 DT A 5 0.062 -0.283 0.975 1.00 0.37 H new ATOM 0 H73 DT A 5 0.106 -1.571 -0.253 1.00 0.37 H new ATOM 0 H6 DT A 5 3.016 -0.485 1.616 1.00 0.21 H new ATOM 158 P DA A 6 6.444 3.798 3.750 1.00 0.73 P ATOM 159 OP1 DA A 6 7.643 4.441 4.331 1.00 0.97 O ATOM 160 OP2 DA A 6 5.116 4.014 4.368 1.00 0.75 O ATOM 161 O5' DA A 6 6.351 4.207 2.194 1.00 0.67 O ATOM 162 C5' DA A 6 7.461 3.984 1.314 1.00 0.71 C ATOM 163 C4' DA A 6 7.249 4.653 -0.040 1.00 0.64 C ATOM 164 O4' DA A 6 6.200 4.004 -0.789 1.00 0.56 O ATOM 165 C3' DA A 6 6.854 6.109 0.139 1.00 0.63 C ATOM 166 O3' DA A 6 7.951 6.985 -0.169 1.00 0.71 O ATOM 167 C2' DA A 6 5.675 6.325 -0.782 1.00 0.51 C ATOM 168 C1' DA A 6 5.408 4.999 -1.462 1.00 0.46 C ATOM 169 N9 DA A 6 3.973 4.666 -1.414 1.00 0.36 N ATOM 170 C8 DA A 6 3.227 4.208 -0.366 1.00 0.37 C ATOM 171 N7 DA A 6 1.948 4.136 -0.591 1.00 0.33 N ATOM 172 C5 DA A 6 1.837 4.575 -1.910 1.00 0.26 C ATOM 173 C6 DA A 6 0.745 4.741 -2.769 1.00 0.24 C ATOM 174 N6 DA A 6 -0.516 4.513 -2.406 1.00 0.30 N ATOM 175 N1 DA A 6 0.998 5.188 -4.008 1.00 0.23 N ATOM 176 C2 DA A 6 2.243 5.461 -4.387 1.00 0.27 C ATOM 177 N3 DA A 6 3.344 5.347 -3.656 1.00 0.31 N ATOM 178 C4 DA A 6 3.064 4.893 -2.416 1.00 0.29 C ATOM 0 H5' DA A 6 7.604 2.913 1.172 1.00 0.71 H new ATOM 0 H5'' DA A 6 8.372 4.369 1.772 1.00 0.71 H new ATOM 0 H4' DA A 6 8.192 4.575 -0.581 1.00 0.64 H new ATOM 0 H3' DA A 6 6.587 6.335 1.171 1.00 0.63 H new ATOM 0 H2' DA A 6 4.801 6.656 -0.221 1.00 0.51 H new ATOM 0 H2'' DA A 6 5.894 7.100 -1.517 1.00 0.51 H new ATOM 0 H1' DA A 6 5.682 5.045 -2.516 1.00 0.46 H new ATOM 0 H8 DA A 6 3.666 3.926 0.580 1.00 0.37 H new ATOM 0 H61 DA A 6 -1.273 4.651 -3.076 1.00 0.30 H new ATOM 0 H62 DA A 6 -0.725 4.200 -1.458 1.00 0.30 H new ATOM 0 H2 DA A 6 2.372 5.814 -5.400 1.00 0.27 H new ATOM 190 P DG A 7 7.702 8.516 -0.610 1.00 0.70 P ATOM 191 OP1 DG A 7 9.018 9.147 -0.865 1.00 0.82 O ATOM 192 OP2 DG A 7 6.762 9.132 0.354 1.00 0.76 O ATOM 193 O5' DG A 7 6.942 8.341 -2.019 1.00 0.55 O ATOM 194 C5' DG A 7 7.633 7.816 -3.158 1.00 0.55 C ATOM 195 C4' DG A 7 7.188 8.504 -4.440 1.00 0.43 C ATOM 196 O4' DG A 7 5.924 7.985 -4.910 1.00 0.38 O ATOM 197 C3' DG A 7 7.028 9.996 -4.202 1.00 0.38 C ATOM 198 O3' DG A 7 8.100 10.738 -4.793 1.00 0.41 O ATOM 199 C2' DG A 7 5.699 10.363 -4.812 1.00 0.30 C ATOM 200 C1' DG A 7 4.993 9.064 -5.138 1.00 0.30 C ATOM 201 N9 DG A 7 3.806 8.902 -4.287 1.00 0.30 N ATOM 202 C8 DG A 7 3.744 8.579 -2.966 1.00 0.36 C ATOM 203 N7 DG A 7 2.541 8.470 -2.480 1.00 0.40 N ATOM 204 C5 DG A 7 1.729 8.760 -3.578 1.00 0.37 C ATOM 205 C6 DG A 7 0.311 8.811 -3.683 1.00 0.43 C ATOM 206 O6 DG A 7 -0.532 8.594 -2.816 1.00 0.54 O ATOM 207 N1 DG A 7 -0.091 9.148 -4.965 1.00 0.40 N ATOM 208 C2 DG A 7 0.756 9.403 -6.019 1.00 0.32 C ATOM 209 N2 DG A 7 0.184 9.771 -7.158 1.00 0.36 N ATOM 210 N3 DG A 7 2.084 9.350 -5.931 1.00 0.28 N ATOM 211 C4 DG A 7 2.500 9.027 -4.687 1.00 0.30 C ATOM 0 H5' DG A 7 7.449 6.744 -3.235 1.00 0.55 H new ATOM 0 H5'' DG A 7 8.707 7.947 -3.027 1.00 0.55 H new ATOM 0 H4' DG A 7 7.954 8.314 -5.191 1.00 0.43 H new ATOM 0 H3' DG A 7 7.058 10.236 -3.139 1.00 0.38 H new ATOM 0 H2' DG A 7 5.107 10.961 -4.119 1.00 0.30 H new ATOM 0 H2'' DG A 7 5.839 10.963 -5.711 1.00 0.30 H new ATOM 0 H1' DG A 7 4.662 9.064 -6.177 1.00 0.30 H new ATOM 0 H8 DG A 7 4.628 8.424 -2.365 1.00 0.36 H new ATOM 0 H1 DG A 7 -1.094 9.212 -5.142 1.00 0.40 H new ATOM 0 H21 DG A 7 0.759 9.974 -7.975 1.00 0.36 H new ATOM 0 H22 DG A 7 -0.831 9.851 -7.216 1.00 0.36 H new ATOM 223 P DC A 8 8.172 12.338 -4.631 1.00 0.45 P ATOM 224 OP1 DC A 8 9.513 12.789 -5.065 1.00 0.60 O ATOM 225 OP2 DC A 8 7.674 12.695 -3.283 1.00 0.54 O ATOM 226 O5' DC A 8 7.095 12.847 -5.713 1.00 0.45 O ATOM 227 C5' DC A 8 7.311 12.640 -7.114 1.00 0.51 C ATOM 228 C4' DC A 8 6.097 13.065 -7.929 1.00 0.49 C ATOM 229 O4' DC A 8 4.951 12.253 -7.602 1.00 0.43 O ATOM 230 C3' DC A 8 5.743 14.516 -7.645 1.00 0.51 C ATOM 231 O3' DC A 8 6.109 15.366 -8.738 1.00 0.66 O ATOM 232 C2' DC A 8 4.257 14.535 -7.403 1.00 0.48 C ATOM 233 C1' DC A 8 3.796 13.086 -7.395 1.00 0.39 C ATOM 234 N1 DC A 8 3.129 12.745 -6.122 1.00 0.35 N ATOM 235 C2 DC A 8 1.796 12.374 -6.179 1.00 0.39 C ATOM 236 O2 DC A 8 1.198 12.384 -7.251 1.00 0.43 O ATOM 237 N3 DC A 8 1.156 12.082 -5.018 1.00 0.46 N ATOM 238 C4 DC A 8 1.786 12.166 -3.845 1.00 0.44 C ATOM 239 N4 DC A 8 1.139 11.809 -2.738 1.00 0.55 N ATOM 240 C5 DC A 8 3.156 12.571 -3.774 1.00 0.42 C ATOM 241 C6 DC A 8 3.790 12.837 -4.931 1.00 0.40 C ATOM 0 H5' DC A 8 7.526 11.588 -7.300 1.00 0.51 H new ATOM 0 H5'' DC A 8 8.185 13.206 -7.437 1.00 0.51 H new ATOM 0 H4' DC A 8 6.352 12.941 -8.981 1.00 0.49 H new ATOM 0 H3' DC A 8 6.288 14.897 -6.782 1.00 0.51 H new ATOM 0 H2' DC A 8 4.026 15.020 -6.455 1.00 0.48 H new ATOM 0 H2'' DC A 8 3.745 15.099 -8.183 1.00 0.48 H new ATOM 0 HO3' DC A 8 5.868 16.292 -8.527 1.00 0.66 H new ATOM 0 H1' DC A 8 3.067 12.926 -8.189 1.00 0.39 H new ATOM 0 H41 DC A 8 1.606 11.867 -1.833 1.00 0.55 H new ATOM 0 H42 DC A 8 0.176 11.477 -2.795 1.00 0.55 H new ATOM 0 H5 DC A 8 3.664 12.660 -2.825 1.00 0.42 H new ATOM 0 H6 DC A 8 4.831 13.126 -4.917 1.00 0.40 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.073 14.982 -5.593 1.00 0.71 C HETATM 256 C7' GPN B 9 -7.271 14.394 -6.343 1.00 0.66 C HETATM 257 O7' GPN B 9 -7.571 13.227 -6.178 1.00 0.65 O HETATM 258 C5' GPN B 9 -9.096 14.543 -7.965 1.00 0.79 C HETATM 259 C' GPN B 9 -8.792 13.313 -8.828 1.00 0.73 C HETATM 260 O1' GPN B 9 -8.550 13.427 -10.014 1.00 0.81 O HETATM 261 N4' GPN B 9 -7.965 15.142 -7.183 1.00 0.73 N HETATM 262 C3' GPN B 9 -7.632 16.591 -7.364 1.00 0.85 C HETATM 263 C2' GPN B 9 -8.303 17.417 -6.266 1.00 0.93 C HETATM 264 N1' GPN B 9 -9.401 16.943 -5.740 1.00 1.35 N HETATM 265 N9 GPN B 9 -5.227 14.067 -4.794 1.00 0.70 N HETATM 266 C8 GPN B 9 -5.437 13.568 -3.541 1.00 0.74 C HETATM 267 N7 GPN B 9 -4.463 12.848 -3.064 1.00 0.75 N HETATM 268 C5 GPN B 9 -3.521 12.864 -4.092 1.00 0.67 C HETATM 269 C6 GPN B 9 -2.238 12.255 -4.165 1.00 0.66 C HETATM 270 O6 GPN B 9 -1.657 11.583 -3.316 1.00 0.75 O HETATM 271 N1 GPN B 9 -1.618 12.525 -5.373 1.00 0.60 N HETATM 272 C2 GPN B 9 -2.160 13.272 -6.394 1.00 0.62 C HETATM 273 N2 GPN B 9 -1.421 13.394 -7.491 1.00 0.66 N HETATM 274 N3 GPN B 9 -3.361 13.846 -6.334 1.00 0.65 N HETATM 275 C4 GPN B 9 -3.984 13.604 -5.158 1.00 0.65 C HETATM 0 HN22 GPN B 9 -1.769 13.936 -8.282 1.00 0.66 H new HETATM 0 HN21 GPN B 9 -0.506 12.946 -7.542 1.00 0.66 H new HETATM 0 H8'2 GPN B 9 -5.432 15.474 -6.324 1.00 0.71 H new HETATM 0 H8'1 GPN B 9 -6.447 15.757 -4.925 1.00 0.71 H new HETATM 0 H5'2 GPN B 9 -9.501 15.318 -8.616 1.00 0.79 H new HETATM 0 H5'1 GPN B 9 -9.884 14.273 -7.262 1.00 0.79 H new HETATM 0 H3'2 GPN B 9 -6.552 16.732 -7.330 1.00 0.85 H new HETATM 0 H3'1 GPN B 9 -7.967 16.931 -8.344 1.00 0.85 H new HETATM 0 H2'2 GPN B 9 -7.580 17.560 -5.463 1.00 0.93 H new HETATM 0 H2'1 GPN B 9 -8.524 18.403 -6.675 1.00 0.93 H new HETATM 0 H1'3 GPN B 9 -9.796 17.631 -5.099 1.00 1.35 H new HETATM 0 H1'2 GPN B 9 -10.074 16.743 -6.480 1.00 1.35 H new HETATM 0 H1'1 GPN B 9 -9.191 16.085 -5.230 1.00 1.35 H new HETATM 0 HN1 GPN B 9 -0.685 12.139 -5.518 1.00 0.60 H new HETATM 0 H8 GPN B 9 -6.353 13.758 -2.981 1.00 0.74 H new HETATM 290 C8' CPN B 10 -5.210 10.413 -8.000 1.00 0.48 C HETATM 291 C7' CPN B 10 -5.583 9.462 -9.149 1.00 0.50 C HETATM 292 O7' CPN B 10 -5.021 8.392 -9.255 1.00 0.52 O HETATM 293 C5' CPN B 10 -6.823 8.890 -11.181 1.00 0.57 C HETATM 294 C' CPN B 10 -5.674 8.373 -12.060 1.00 0.55 C HETATM 295 O1' CPN B 10 -5.862 7.463 -12.844 1.00 0.62 O HETATM 296 N4' CPN B 10 -6.504 9.803 -10.030 1.00 0.54 N HETATM 297 C3' CPN B 10 -7.242 11.096 -9.896 1.00 0.59 C HETATM 298 C2' CPN B 10 -8.474 10.882 -9.007 1.00 0.63 C HETATM 299 N1' CPN B 10 -8.803 12.134 -8.247 1.00 0.67 N HETATM 300 N1 CPN B 10 -4.743 9.831 -6.726 1.00 0.47 N HETATM 301 C2 CPN B 10 -3.369 9.916 -6.413 1.00 0.43 C HETATM 302 N3 CPN B 10 -2.947 9.399 -5.217 1.00 0.43 N HETATM 303 C4 CPN B 10 -3.817 8.818 -4.382 1.00 0.44 C HETATM 304 C5 CPN B 10 -5.209 8.714 -4.715 1.00 0.50 C HETATM 305 C6 CPN B 10 -5.619 9.236 -5.883 1.00 0.53 C HETATM 306 O2 CPN B 10 -2.556 10.391 -7.223 1.00 0.47 O HETATM 307 N4 CPN B 10 -3.382 8.364 -3.206 1.00 0.49 N HETATM 0 HN42 CPN B 10 -4.033 7.919 -2.559 1.00 0.49 H new HETATM 0 HN41 CPN B 10 -2.399 8.462 -2.954 1.00 0.49 H new HETATM 0 H8'2 CPN B 10 -4.431 11.082 -8.364 1.00 0.48 H new HETATM 0 H8'1 CPN B 10 -6.083 11.029 -7.783 1.00 0.48 H new HETATM 0 H5'2 CPN B 10 -7.525 9.412 -11.831 1.00 0.57 H new HETATM 0 H5'1 CPN B 10 -7.346 8.022 -10.778 1.00 0.57 H new HETATM 0 H3'2 CPN B 10 -6.593 11.856 -9.462 1.00 0.59 H new HETATM 0 H3'1 CPN B 10 -7.545 11.459 -10.878 1.00 0.59 H new HETATM 0 H2'2 CPN B 10 -9.325 10.589 -9.621 1.00 0.63 H new HETATM 0 H2'1 CPN B 10 -8.288 10.065 -8.309 1.00 0.63 H new HETATM 0 H1'1 CPN B 10 -8.335 12.115 -7.341 1.00 0.67 H new HETATM 0 H6 CPN B 10 -6.673 9.180 -6.156 1.00 0.53 H new HETATM 0 H5 CPN B 10 -5.913 8.226 -4.040 1.00 0.50 H new HETATM 321 C8' TPN B 11 -1.203 7.673 -9.300 1.00 0.37 C HETATM 322 C7' TPN B 11 -1.154 6.721 -10.504 1.00 0.42 C HETATM 323 O7' TPN B 11 -0.775 5.587 -10.324 1.00 0.51 O HETATM 324 C5' TPN B 11 -1.368 6.143 -12.883 1.00 0.47 C HETATM 325 C' TPN B 11 -0.037 5.388 -13.063 1.00 0.45 C HETATM 326 O1' TPN B 11 0.769 5.748 -13.900 1.00 0.48 O HETATM 327 N4' TPN B 11 -1.497 7.108 -11.727 1.00 0.42 N HETATM 328 C3' TPN B 11 -2.015 8.494 -11.985 1.00 0.44 C HETATM 329 C2' TPN B 11 -3.334 8.420 -12.776 1.00 0.52 C HETATM 330 N1' TPN B 11 -4.484 8.907 -11.937 1.00 0.49 N HETATM 331 N1 TPN B 11 -1.516 7.069 -7.995 1.00 0.34 N HETATM 332 C6 TPN B 11 -2.806 6.796 -7.669 1.00 0.37 C HETATM 333 C2 TPN B 11 -0.467 6.723 -7.160 1.00 0.32 C HETATM 334 O2 TPN B 11 0.706 6.949 -7.443 1.00 0.33 O HETATM 335 N3 TPN B 11 -0.817 6.082 -5.991 1.00 0.32 N HETATM 336 C4 TPN B 11 -2.097 5.763 -5.586 1.00 0.35 C HETATM 337 O4 TPN B 11 -2.288 5.199 -4.511 1.00 0.40 O HETATM 338 C5 TPN B 11 -3.126 6.163 -6.522 1.00 0.38 C HETATM 339 C5M TPN B 11 -4.584 5.811 -6.238 1.00 0.46 C HETATM 0 HM53 TPN B 11 -5.181 6.723 -6.216 1.00 0.46 H new HETATM 0 HM52 TPN B 11 -4.958 5.151 -7.021 1.00 0.46 H new HETATM 0 HM51 TPN B 11 -4.656 5.307 -5.274 1.00 0.46 H new HETATM 0 H8'2 TPN B 11 -0.238 8.173 -9.221 1.00 0.37 H new HETATM 0 H8'1 TPN B 11 -1.945 8.444 -9.505 1.00 0.37 H new HETATM 0 H5'2 TPN B 11 -1.562 6.697 -13.801 1.00 0.47 H new HETATM 0 H5'1 TPN B 11 -2.160 5.401 -12.786 1.00 0.47 H new HETATM 0 H3'2 TPN B 11 -2.176 9.014 -11.040 1.00 0.44 H new HETATM 0 H3'1 TPN B 11 -1.277 9.070 -12.544 1.00 0.44 H new HETATM 0 H2'2 TPN B 11 -3.256 9.023 -13.681 1.00 0.52 H new HETATM 0 H2'1 TPN B 11 -3.517 7.393 -13.092 1.00 0.52 H new HETATM 0 H1'2 TPN B 11 -5.347 8.851 -12.477 1.00 0.49 H new HETATM 0 HN3 TPN B 11 -0.056 5.818 -5.365 1.00 0.32 H new HETATM 0 H6 TPN B 11 -3.602 7.096 -8.351 1.00 0.37 H new HETATM 354 C8' APN B 12 2.422 4.870 -8.789 1.00 0.47 C HETATM 355 C7' APN B 12 3.567 4.322 -9.654 1.00 0.44 C HETATM 356 O7' APN B 12 4.714 4.634 -9.392 1.00 0.46 O HETATM 357 C5' APN B 12 4.442 3.062 -11.563 1.00 0.42 C HETATM 358 C' APN B 12 5.313 1.901 -11.077 1.00 0.38 C HETATM 359 O1' APN B 12 5.312 0.838 -11.670 1.00 0.44 O HETATM 360 N4' APN B 12 3.318 3.535 -10.689 1.00 0.42 N HETATM 361 C3' APN B 12 1.917 3.107 -10.999 1.00 0.45 C HETATM 362 C2' APN B 12 1.506 3.607 -12.398 1.00 0.47 C HETATM 363 N1' APN B 12 0.209 4.354 -12.298 1.00 0.45 N HETATM 364 N9 APN B 12 1.624 3.943 -7.951 1.00 0.46 N HETATM 365 C8 APN B 12 0.313 3.575 -8.079 1.00 0.48 C HETATM 366 N7 APN B 12 -0.136 2.801 -7.143 1.00 0.48 N HETATM 367 C5 APN B 12 0.968 2.640 -6.311 1.00 0.44 C HETATM 368 C6 APN B 12 1.156 1.925 -5.128 1.00 0.43 C HETATM 369 N6 APN B 12 0.203 1.181 -4.575 1.00 0.48 N HETATM 370 N1 APN B 12 2.371 1.979 -4.557 1.00 0.42 N HETATM 371 C2 APN B 12 3.346 2.691 -5.126 1.00 0.43 C HETATM 372 N3 APN B 12 3.276 3.397 -6.250 1.00 0.43 N HETATM 373 C4 APN B 12 2.045 3.328 -6.795 1.00 0.43 C HETATM 0 HN62 APN B 12 0.389 0.676 -3.708 1.00 0.48 H new HETATM 0 HN61 APN B 12 -0.714 1.115 -5.017 1.00 0.48 H new HETATM 0 H8'2 APN B 12 2.847 5.624 -8.126 1.00 0.47 H new HETATM 0 H8'1 APN B 12 1.729 5.385 -9.455 1.00 0.47 H new HETATM 0 H5'2 APN B 12 5.098 3.913 -11.747 1.00 0.42 H new HETATM 0 H5'1 APN B 12 4.015 2.775 -12.524 1.00 0.42 H new HETATM 0 H3'2 APN B 12 1.843 2.020 -10.957 1.00 0.45 H new HETATM 0 H3'1 APN B 12 1.233 3.503 -10.248 1.00 0.45 H new HETATM 0 H2'2 APN B 12 2.281 4.255 -12.807 1.00 0.47 H new HETATM 0 H2'1 APN B 12 1.401 2.764 -13.081 1.00 0.47 H new HETATM 0 H1'3 APN B 12 -0.065 4.686 -13.223 1.00 0.45 H new HETATM 0 H8 APN B 12 -0.309 3.909 -8.909 1.00 0.48 H new HETATM 0 H2 APN B 12 4.307 2.694 -4.612 1.00 0.43 H new HETATM 387 C8' TPN B 13 5.823 0.706 -6.295 1.00 0.32 C HETATM 388 C7' TPN B 13 7.121 -0.105 -6.487 1.00 0.35 C HETATM 389 O7' TPN B 13 7.351 -1.055 -5.763 1.00 0.38 O HETATM 390 C5' TPN B 13 9.248 -0.560 -7.664 1.00 0.44 C HETATM 391 C' TPN B 13 9.236 -2.086 -7.515 1.00 0.39 C HETATM 392 O1' TPN B 13 10.298 -2.671 -7.434 1.00 0.41 O HETATM 393 N4' TPN B 13 7.989 0.231 -7.436 1.00 0.37 N HETATM 394 C3' TPN B 13 7.737 1.422 -8.300 1.00 0.36 C HETATM 395 C2' TPN B 13 6.978 0.983 -9.555 1.00 0.35 C HETATM 396 N1' TPN B 13 6.080 2.082 -10.034 1.00 0.35 N HETATM 397 N1 TPN B 13 4.573 -0.004 -5.953 1.00 0.29 N HETATM 398 C6 TPN B 13 3.505 0.036 -6.803 1.00 0.26 C HETATM 399 C2 TPN B 13 4.536 -0.744 -4.784 1.00 0.32 C HETATM 400 O2 TPN B 13 5.400 -0.647 -3.918 1.00 0.40 O HETATM 401 N3 TPN B 13 3.378 -1.460 -4.566 1.00 0.31 N HETATM 402 C4 TPN B 13 2.266 -1.487 -5.381 1.00 0.29 C HETATM 403 O4 TPN B 13 1.283 -2.152 -5.071 1.00 0.34 O HETATM 404 C5 TPN B 13 2.385 -0.666 -6.562 1.00 0.26 C HETATM 405 C5M TPN B 13 1.230 -0.596 -7.556 1.00 0.33 C HETATM 0 HM53 TPN B 13 0.888 0.435 -7.644 1.00 0.33 H new HETATM 0 HM52 TPN B 13 1.566 -0.951 -8.530 1.00 0.33 H new HETATM 0 HM51 TPN B 13 0.409 -1.222 -7.205 1.00 0.33 H new HETATM 0 H8'2 TPN B 13 6.008 1.440 -5.511 1.00 0.32 H new HETATM 0 H8'1 TPN B 13 5.644 1.261 -7.216 1.00 0.32 H new HETATM 0 H5'2 TPN B 13 10.001 -0.174 -6.977 1.00 0.44 H new HETATM 0 H5'1 TPN B 13 9.592 -0.336 -8.674 1.00 0.44 H new HETATM 0 H3'2 TPN B 13 7.159 2.167 -7.753 1.00 0.36 H new HETATM 0 H3'1 TPN B 13 8.681 1.891 -8.577 1.00 0.36 H new HETATM 0 H2'2 TPN B 13 7.685 0.715 -10.340 1.00 0.35 H new HETATM 0 H2'1 TPN B 13 6.389 0.092 -9.338 1.00 0.35 H new HETATM 0 H1'2 TPN B 13 5.582 1.775 -10.869 1.00 0.35 H new HETATM 0 HN3 TPN B 13 3.340 -2.026 -3.718 1.00 0.31 H new HETATM 0 H6 TPN B 13 3.563 0.653 -7.700 1.00 0.26 H new HETATM 420 C8' GPN B 14 5.859 -4.849 -4.706 1.00 0.40 C HETATM 421 C7' GPN B 14 6.774 -6.057 -4.959 1.00 0.43 C HETATM 422 O7' GPN B 14 6.391 -7.179 -4.691 1.00 0.49 O HETATM 423 C5' GPN B 14 8.937 -7.019 -5.617 1.00 0.55 C HETATM 424 C' GPN B 14 8.867 -8.186 -4.622 1.00 0.60 C HETATM 425 O1' GPN B 14 9.317 -8.093 -3.497 1.00 0.73 O HETATM 426 N4' GPN B 14 7.993 -5.870 -5.437 1.00 0.45 N HETATM 427 C3' GPN B 14 8.448 -4.501 -5.804 1.00 0.44 C HETATM 428 C2' GPN B 14 8.147 -4.238 -7.283 1.00 0.41 C HETATM 429 N1' GPN B 14 8.118 -2.762 -7.474 1.00 0.38 N HETATM 430 N9 GPN B 14 4.400 -5.020 -4.755 1.00 0.39 N HETATM 431 C8 GPN B 14 3.536 -4.632 -5.727 1.00 0.40 C HETATM 432 N7 GPN B 14 2.294 -4.943 -5.518 1.00 0.42 N HETATM 433 C5 GPN B 14 2.329 -5.570 -4.273 1.00 0.40 C HETATM 434 C6 GPN B 14 1.273 -6.117 -3.499 1.00 0.43 C HETATM 435 O6 GPN B 14 0.076 -6.168 -3.767 1.00 0.47 O HETATM 436 N1 GPN B 14 1.737 -6.641 -2.305 1.00 0.44 N HETATM 437 C2 GPN B 14 3.053 -6.647 -1.899 1.00 0.44 C HETATM 438 N2 GPN B 14 3.298 -7.152 -0.696 1.00 0.51 N HETATM 439 N3 GPN B 14 4.051 -6.140 -2.623 1.00 0.42 N HETATM 440 C4 GPN B 14 3.618 -5.617 -3.794 1.00 0.39 C HETATM 0 HN22 GPN B 14 4.254 -7.183 -0.341 1.00 0.51 H new HETATM 0 HN21 GPN B 14 2.531 -7.509 -0.127 1.00 0.51 H new HETATM 0 H8'2 GPN B 14 6.108 -4.452 -3.722 1.00 0.40 H new HETATM 0 H8'1 GPN B 14 6.122 -4.082 -5.435 1.00 0.40 H new HETATM 0 H5'2 GPN B 14 9.952 -6.622 -5.591 1.00 0.55 H new HETATM 0 H5'1 GPN B 14 8.779 -7.425 -6.616 1.00 0.55 H new HETATM 0 H3'2 GPN B 14 7.944 -3.761 -5.183 1.00 0.44 H new HETATM 0 H3'1 GPN B 14 9.517 -4.400 -5.617 1.00 0.44 H new HETATM 0 H2'2 GPN B 14 8.909 -4.692 -7.917 1.00 0.41 H new HETATM 0 H2'1 GPN B 14 7.192 -4.681 -7.565 1.00 0.41 H new HETATM 0 H1'3 GPN B 14 7.919 -2.549 -8.452 1.00 0.38 H new HETATM 0 HN1 GPN B 14 1.050 -7.056 -1.676 1.00 0.44 H new HETATM 0 H8 GPN B 14 3.862 -4.097 -6.619 1.00 0.40 H new HETATM 454 C8' TPN B 15 4.408 -9.403 -3.373 1.00 0.52 C HETATM 455 C7' TPN B 15 4.838 -10.852 -3.152 1.00 0.70 C HETATM 456 O7' TPN B 15 3.994 -11.723 -3.125 1.00 0.75 O HETATM 457 C5' TPN B 15 6.482 -12.566 -2.569 1.00 1.02 C HETATM 458 C' TPN B 15 5.613 -13.288 -1.521 1.00 0.99 C HETATM 459 O1' TPN B 15 5.738 -14.474 -1.292 1.00 1.15 O HETATM 460 N4' TPN B 15 6.099 -11.152 -2.915 1.00 0.82 N HETATM 461 C3' TPN B 15 7.149 -10.094 -2.989 1.00 0.79 C HETATM 462 C2' TPN B 15 8.147 -10.452 -4.098 1.00 0.89 C HETATM 463 N1' TPN B 15 8.288 -9.287 -5.022 1.00 0.68 N HETATM 464 N1 TPN B 15 3.102 -9.164 -3.995 1.00 0.48 N HETATM 465 C6 TPN B 15 3.042 -8.723 -5.276 1.00 0.53 C HETATM 466 C2 TPN B 15 1.959 -9.491 -3.277 1.00 0.45 C HETATM 467 O2 TPN B 15 1.992 -9.813 -2.090 1.00 0.42 O HETATM 468 N3 TPN B 15 0.768 -9.374 -3.958 1.00 0.49 N HETATM 469 C4 TPN B 15 0.619 -8.948 -5.265 1.00 0.58 C HETATM 470 O4 TPN B 15 -0.491 -8.926 -5.787 1.00 0.70 O HETATM 471 C5 TPN B 15 1.865 -8.604 -5.921 1.00 0.59 C HETATM 472 C5M TPN B 15 1.846 -8.103 -7.362 1.00 0.72 C HETATM 0 HM53 TPN B 15 2.278 -7.103 -7.405 1.00 0.72 H new HETATM 0 HM52 TPN B 15 2.429 -8.777 -7.989 1.00 0.72 H new HETATM 0 HM51 TPN B 15 0.818 -8.070 -7.722 1.00 0.72 H new HETATM 0 H8'2 TPN B 15 4.415 -8.900 -2.406 1.00 0.52 H new HETATM 0 H8'1 TPN B 15 5.166 -8.919 -3.989 1.00 0.52 H new HETATM 0 H5'2 TPN B 15 7.511 -12.560 -2.210 1.00 1.02 H new HETATM 0 H5'1 TPN B 15 6.467 -13.155 -3.486 1.00 1.02 H new HETATM 0 H3'2 TPN B 15 6.693 -9.125 -3.193 1.00 0.79 H new HETATM 0 H3'1 TPN B 15 7.665 -10.009 -2.033 1.00 0.79 H new HETATM 0 H2'2 TPN B 15 9.114 -10.708 -3.665 1.00 0.89 H new HETATM 0 H2'1 TPN B 15 7.801 -11.328 -4.647 1.00 0.89 H new HETATM 0 H1'3 TPN B 15 8.951 -9.518 -5.762 1.00 0.68 H new HETATM 0 HN3 TPN B 15 -0.082 -9.624 -3.452 1.00 0.49 H new HETATM 0 H6 TPN B 15 3.964 -8.460 -5.794 1.00 0.53 H new HETATM 487 C8' CPN B 16 1.248 -13.786 -1.819 1.00 0.59 C HETATM 488 C7' CPN B 16 0.759 -13.761 -0.360 1.00 0.47 C HETATM 489 O7' CPN B 16 -0.214 -14.419 -0.041 1.00 0.57 O HETATM 490 C5' CPN B 16 0.820 -12.967 1.947 1.00 0.41 C HETATM 491 C' CPN B 16 -0.121 -11.810 2.293 1.00 0.42 C HETATM 492 O1' CPN B 16 -1.296 -11.866 1.995 1.00 0.44 O HETATM 493 N4' CPN B 16 1.364 -13.018 0.557 1.00 0.39 N HETATM 494 C3' CPN B 16 2.589 -12.221 0.236 1.00 0.46 C HETATM 495 C2' CPN B 16 3.799 -13.146 0.124 1.00 0.77 C HETATM 496 N1' CPN B 16 4.730 -12.559 -0.884 1.00 0.81 N HETATM 497 N1 CPN B 16 0.454 -13.118 -2.890 1.00 0.61 N HETATM 498 C2 CPN B 16 -0.958 -13.278 -2.904 1.00 0.56 C HETATM 499 N3 CPN B 16 -1.642 -12.900 -4.026 1.00 0.63 N HETATM 500 C4 CPN B 16 -1.002 -12.387 -5.079 1.00 0.74 C HETATM 501 C5 CPN B 16 0.414 -12.208 -5.068 1.00 0.85 C HETATM 502 C6 CPN B 16 1.094 -12.565 -3.962 1.00 0.78 C HETATM 503 O2 CPN B 16 -1.572 -13.726 -1.925 1.00 0.56 O HETATM 504 N4 CPN B 16 -1.706 -12.011 -6.143 1.00 0.83 N HETATM 0 HN42 CPN B 16 -1.231 -11.617 -6.955 1.00 0.83 H new HETATM 0 HN41 CPN B 16 -2.721 -12.116 -6.147 1.00 0.83 H new HETATM 0 H8'2 CPN B 16 2.244 -13.344 -1.833 1.00 0.59 H new HETATM 0 H8'1 CPN B 16 1.359 -14.832 -2.104 1.00 0.59 H new HETATM 0 H5'2 CPN B 16 1.663 -12.934 2.638 1.00 0.41 H new HETATM 0 H5'1 CPN B 16 0.290 -13.900 2.136 1.00 0.41 H new HETATM 0 H3'2 CPN B 16 2.446 -11.680 -0.700 1.00 0.46 H new HETATM 0 H3'1 CPN B 16 2.761 -11.475 1.012 1.00 0.46 H new HETATM 0 H2'2 CPN B 16 4.295 -13.245 1.090 1.00 0.77 H new HETATM 0 H2'1 CPN B 16 3.489 -14.146 -0.179 1.00 0.77 H new HETATM 0 H1'2 CPN B 16 5.550 -13.158 -0.980 1.00 0.81 H new HETATM 0 H6 CPN B 16 2.172 -12.410 -3.922 1.00 0.78 H new HETATM 0 H5 CPN B 16 0.932 -11.793 -5.933 1.00 0.85 H new HETATM 518 N NH2 B 17 -1.165 -11.642 3.056 1.00 0.45 N TER 521 NH2 B 17