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 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 TPNH1'3 : 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= -0.389 (180deg=-0.389) USER MOD Single : A 8 DC O3' : rot 180:sc= 0 USER MOD Single : B 9 GPN N1' :NH3+ -179:sc= 0 (180deg=-0.00146) USER MOD Single : B 10 CPN N1' :NH3+ -91:sc= 0.665 (180deg=-0.447) USER MOD Single : B 11 TPN N1' :NH3+ 180:sc= -0.271 (180deg=-0.271) USER MOD Single : B 12 APN N1' :NH3+ 180:sc= -2.2! (180deg=-2.2!) USER MOD Single : B 13 TPN N1' :NH3+ 180:sc= -0.161 (180deg=-0.161) USER MOD Single : B 14 GPN N1' :NH3+ 180:sc= -0.36 (180deg=-0.36) USER MOD Single : B 15 TPN N1' :NH3+ 180:sc= -0.586 (180deg=-0.586) USER MOD Single : B 16 CPN N1' :NH3+ 180:sc= -2.07! (180deg=-2.07!) USER MOD ----------------------------------------------------------------- ATOM 1 O5' DG A 1 -12.182 -10.300 -3.691 1.00 1.08 O ATOM 2 C5' DG A 1 -12.799 -11.070 -2.655 1.00 1.00 C ATOM 3 C4' DG A 1 -11.780 -11.528 -1.616 1.00 0.78 C ATOM 4 O4' DG A 1 -10.764 -12.360 -2.228 1.00 0.72 O ATOM 5 C3' DG A 1 -11.085 -10.331 -0.970 1.00 0.73 C ATOM 6 O3' DG A 1 -11.191 -10.390 0.458 1.00 0.68 O ATOM 7 C2' DG A 1 -9.646 -10.426 -1.421 1.00 0.63 C ATOM 8 C1' DG A 1 -9.455 -11.842 -1.920 1.00 0.61 C ATOM 9 N9 DG A 1 -8.572 -11.870 -3.102 1.00 0.67 N ATOM 10 C8 DG A 1 -8.852 -11.535 -4.395 1.00 0.85 C ATOM 11 N7 DG A 1 -7.839 -11.568 -5.205 1.00 0.90 N ATOM 12 C5 DG A 1 -6.789 -11.971 -4.383 1.00 0.73 C ATOM 13 C6 DG A 1 -5.422 -12.192 -4.696 1.00 0.73 C ATOM 14 O6 DG A 1 -4.853 -12.052 -5.773 1.00 0.86 O ATOM 15 N1 DG A 1 -4.703 -12.591 -3.580 1.00 0.57 N ATOM 16 C2 DG A 1 -5.229 -12.758 -2.318 1.00 0.42 C ATOM 17 N2 DG A 1 -4.374 -13.106 -1.363 1.00 0.36 N ATOM 18 N3 DG A 1 -6.512 -12.555 -2.019 1.00 0.41 N ATOM 19 C4 DG A 1 -7.231 -12.163 -3.095 1.00 0.57 C ATOM 0 H5' DG A 1 -13.292 -11.939 -3.091 1.00 1.00 H new ATOM 0 H5'' DG A 1 -13.573 -10.475 -2.170 1.00 1.00 H new ATOM 0 H4' DG A 1 -12.323 -12.095 -0.859 1.00 0.78 H new ATOM 0 H3' DG A 1 -11.537 -9.384 -1.264 1.00 0.73 H new ATOM 0 H2' DG A 1 -9.436 -9.703 -2.210 1.00 0.63 H new ATOM 0 H2'' DG A 1 -8.965 -10.207 -0.599 1.00 0.63 H new ATOM 0 HO5' DG A 1 -12.861 -10.023 -4.341 1.00 1.08 H new ATOM 0 H1' DG A 1 -8.972 -12.459 -1.162 1.00 0.61 H new ATOM 0 H8 DG A 1 -9.845 -11.262 -4.720 1.00 0.85 H new ATOM 0 H1 DG A 1 -3.707 -12.775 -3.703 1.00 0.57 H new ATOM 0 H21 DG A 1 -4.705 -13.244 -0.408 1.00 0.36 H new ATOM 0 H22 DG A 1 -3.387 -13.235 -1.585 1.00 0.36 H new ATOM 32 P DA A 2 -10.353 -9.380 1.394 1.00 0.68 P ATOM 33 OP1 DA A 2 -10.858 -9.504 2.780 1.00 0.78 O ATOM 34 OP2 DA A 2 -10.323 -8.054 0.735 1.00 0.81 O ATOM 35 O5' DA A 2 -8.869 -10.007 1.337 1.00 0.52 O ATOM 36 C5' DA A 2 -8.517 -11.131 2.153 1.00 0.43 C ATOM 37 C4' DA A 2 -7.015 -11.189 2.416 1.00 0.38 C ATOM 38 O4' DA A 2 -6.288 -11.530 1.218 1.00 0.31 O ATOM 39 C3' DA A 2 -6.503 -9.842 2.906 1.00 0.47 C ATOM 40 O3' DA A 2 -6.180 -9.881 4.299 1.00 0.61 O ATOM 41 C2' DA A 2 -5.286 -9.538 2.066 1.00 0.42 C ATOM 42 C1' DA A 2 -5.117 -10.699 1.106 1.00 0.30 C ATOM 43 N9 DA A 2 -4.940 -10.218 -0.277 1.00 0.27 N ATOM 44 C8 DA A 2 -5.845 -9.627 -1.110 1.00 0.38 C ATOM 45 N7 DA A 2 -5.375 -9.270 -2.268 1.00 0.42 N ATOM 46 C5 DA A 2 -4.039 -9.666 -2.198 1.00 0.33 C ATOM 47 C6 DA A 2 -2.977 -9.580 -3.104 1.00 0.39 C ATOM 48 N6 DA A 2 -3.108 -9.077 -4.328 1.00 0.53 N ATOM 49 N1 DA A 2 -1.786 -10.070 -2.713 1.00 0.37 N ATOM 50 C2 DA A 2 -1.654 -10.617 -1.502 1.00 0.33 C ATOM 51 N3 DA A 2 -2.593 -10.744 -0.574 1.00 0.27 N ATOM 52 C4 DA A 2 -3.769 -10.243 -0.993 1.00 0.25 C ATOM 0 H5' DA A 2 -8.836 -12.051 1.663 1.00 0.43 H new ATOM 0 H5'' DA A 2 -9.051 -11.073 3.102 1.00 0.43 H new ATOM 0 H4' DA A 2 -6.855 -11.954 3.175 1.00 0.38 H new ATOM 0 H3' DA A 2 -7.262 -9.066 2.802 1.00 0.47 H new ATOM 0 H2' DA A 2 -5.415 -8.602 1.522 1.00 0.42 H new ATOM 0 H2'' DA A 2 -4.402 -9.423 2.693 1.00 0.42 H new ATOM 0 H1' DA A 2 -4.224 -11.271 1.358 1.00 0.30 H new ATOM 0 H8 DA A 2 -6.875 -9.468 -0.828 1.00 0.38 H new ATOM 0 H61 DA A 2 -2.302 -9.036 -4.952 1.00 0.53 H new ATOM 0 H62 DA A 2 -4.015 -8.732 -4.643 1.00 0.53 H new ATOM 0 H2 DA A 2 -0.675 -10.998 -1.251 1.00 0.33 H new ATOM 64 P DC A 3 -5.647 -8.563 5.057 1.00 0.73 P ATOM 65 OP1 DC A 3 -5.717 -8.806 6.515 1.00 0.93 O ATOM 66 OP2 DC A 3 -6.327 -7.385 4.471 1.00 0.81 O ATOM 67 O5' DC A 3 -4.094 -8.517 4.621 1.00 0.61 O ATOM 68 C5' DC A 3 -3.149 -9.432 5.189 1.00 0.61 C ATOM 69 C4' DC A 3 -1.716 -9.104 4.777 1.00 0.54 C ATOM 70 O4' DC A 3 -1.509 -9.334 3.369 1.00 0.44 O ATOM 71 C3' DC A 3 -1.385 -7.646 5.065 1.00 0.55 C ATOM 72 O3' DC A 3 -0.491 -7.532 6.179 1.00 0.65 O ATOM 73 C2' DC A 3 -0.754 -7.117 3.795 1.00 0.43 C ATOM 74 C1' DC A 3 -0.688 -8.285 2.826 1.00 0.36 C ATOM 75 N1 DC A 3 -1.145 -7.902 1.474 1.00 0.32 N ATOM 76 C2 DC A 3 -0.179 -7.778 0.486 1.00 0.28 C ATOM 77 O2 DC A 3 1.004 -7.967 0.750 1.00 0.30 O ATOM 78 N3 DC A 3 -0.570 -7.386 -0.752 1.00 0.28 N ATOM 79 C4 DC A 3 -1.850 -7.110 -1.015 1.00 0.34 C ATOM 80 N4 DC A 3 -2.194 -6.781 -2.258 1.00 0.42 N ATOM 81 C5 DC A 3 -2.849 -7.219 0.002 1.00 0.37 C ATOM 82 C6 DC A 3 -2.459 -7.630 1.224 1.00 0.36 C ATOM 0 H5' DC A 3 -3.393 -10.447 4.875 1.00 0.61 H new ATOM 0 H5'' DC A 3 -3.228 -9.407 6.276 1.00 0.61 H new ATOM 0 H4' DC A 3 -1.067 -9.759 5.358 1.00 0.54 H new ATOM 0 H3' DC A 3 -2.274 -7.076 5.336 1.00 0.55 H new ATOM 0 H2' DC A 3 -1.345 -6.301 3.379 1.00 0.43 H new ATOM 0 H2'' DC A 3 0.242 -6.721 3.993 1.00 0.43 H new ATOM 0 H1' DC A 3 0.344 -8.619 2.714 1.00 0.36 H new ATOM 0 H41 DC A 3 -3.167 -6.567 -2.478 1.00 0.42 H new ATOM 0 H42 DC A 3 -1.485 -6.743 -2.990 1.00 0.42 H new ATOM 0 H5 DC A 3 -3.882 -6.980 -0.203 1.00 0.37 H new ATOM 0 H6 DC A 3 -3.190 -7.745 2.010 1.00 0.36 H new ATOM 94 P DA A 4 0.105 -6.100 6.610 1.00 0.72 P ATOM 95 OP1 DA A 4 0.784 -6.254 7.917 1.00 0.89 O ATOM 96 OP2 DA A 4 -0.961 -5.084 6.450 1.00 0.81 O ATOM 97 O5' DA A 4 1.226 -5.836 5.483 1.00 0.57 O ATOM 98 C5' DA A 4 2.586 -6.227 5.700 1.00 0.54 C ATOM 99 C4' DA A 4 3.556 -5.326 4.942 1.00 0.40 C ATOM 100 O4' DA A 4 3.483 -5.563 3.514 1.00 0.38 O ATOM 101 C3' DA A 4 3.231 -3.854 5.191 1.00 0.35 C ATOM 102 O3' DA A 4 4.324 -3.180 5.824 1.00 0.38 O ATOM 103 C2' DA A 4 2.950 -3.281 3.828 1.00 0.31 C ATOM 104 C1' DA A 4 3.457 -4.298 2.832 1.00 0.31 C ATOM 105 N9 DA A 4 2.583 -4.317 1.656 1.00 0.30 N ATOM 106 C8 DA A 4 1.258 -4.615 1.591 1.00 0.32 C ATOM 107 N7 DA A 4 0.690 -4.364 0.450 1.00 0.32 N ATOM 108 C5 DA A 4 1.733 -3.831 -0.303 1.00 0.28 C ATOM 109 C6 DA A 4 1.805 -3.339 -1.607 1.00 0.28 C ATOM 110 N6 DA A 4 0.752 -3.257 -2.416 1.00 0.30 N ATOM 111 N1 DA A 4 2.996 -2.890 -2.033 1.00 0.29 N ATOM 112 C2 DA A 4 4.055 -2.919 -1.224 1.00 0.29 C ATOM 113 N3 DA A 4 4.095 -3.361 0.024 1.00 0.29 N ATOM 114 C4 DA A 4 2.888 -3.805 0.423 1.00 0.28 C ATOM 0 H5' DA A 4 2.724 -7.260 5.382 1.00 0.54 H new ATOM 0 H5'' DA A 4 2.811 -6.189 6.766 1.00 0.54 H new ATOM 0 H4' DA A 4 4.557 -5.559 5.304 1.00 0.40 H new ATOM 0 H3' DA A 4 2.382 -3.734 5.864 1.00 0.35 H new ATOM 0 H2' DA A 4 1.883 -3.102 3.693 1.00 0.31 H new ATOM 0 H2'' DA A 4 3.453 -2.323 3.697 1.00 0.31 H new ATOM 0 H1' DA A 4 4.457 -4.057 2.470 1.00 0.31 H new ATOM 0 H8 DA A 4 0.717 -5.031 2.428 1.00 0.32 H new ATOM 0 H61 DA A 4 0.862 -2.889 -3.361 1.00 0.30 H new ATOM 0 H62 DA A 4 -0.165 -3.562 -2.091 1.00 0.30 H new ATOM 0 H2 DA A 4 4.981 -2.541 -1.630 1.00 0.29 H new ATOM 126 P DT A 5 4.312 -1.576 6.005 1.00 0.45 P ATOM 127 OP1 DT A 5 5.456 -1.198 6.865 1.00 0.63 O ATOM 128 OP2 DT A 5 2.941 -1.159 6.376 1.00 0.54 O ATOM 129 O5' DT A 5 4.609 -1.053 4.507 1.00 0.37 O ATOM 130 C5' DT A 5 5.896 -1.252 3.909 1.00 0.38 C ATOM 131 C4' DT A 5 6.235 -0.161 2.893 1.00 0.36 C ATOM 132 O4' DT A 5 5.648 -0.440 1.602 1.00 0.33 O ATOM 133 C3' DT A 5 5.727 1.201 3.358 1.00 0.39 C ATOM 134 O3' DT A 5 6.825 2.071 3.673 1.00 0.50 O ATOM 135 C2' DT A 5 4.896 1.727 2.204 1.00 0.35 C ATOM 136 C1' DT A 5 5.141 0.783 1.041 1.00 0.30 C ATOM 137 N1 DT A 5 3.911 0.545 0.265 1.00 0.25 N ATOM 138 C2 DT A 5 3.842 1.097 -1.003 1.00 0.29 C ATOM 139 O2 DT A 5 4.776 1.717 -1.500 1.00 0.38 O ATOM 140 N3 DT A 5 2.657 0.921 -1.679 1.00 0.29 N ATOM 141 C4 DT A 5 1.544 0.253 -1.208 1.00 0.28 C ATOM 142 O4 DT A 5 0.523 0.187 -1.889 1.00 0.35 O ATOM 143 C5 DT A 5 1.707 -0.293 0.121 1.00 0.25 C ATOM 144 C7 DT A 5 0.535 -0.978 0.806 1.00 0.33 C ATOM 145 C6 DT A 5 2.859 -0.145 0.799 1.00 0.23 C ATOM 0 H5' DT A 5 5.920 -2.224 3.417 1.00 0.38 H new ATOM 0 H5'' DT A 5 6.658 -1.270 4.688 1.00 0.38 H new ATOM 0 H4' DT A 5 7.321 -0.145 2.807 1.00 0.36 H new ATOM 0 H3' DT A 5 5.135 1.136 4.271 1.00 0.39 H new ATOM 0 H2' DT A 5 3.838 1.755 2.467 1.00 0.35 H new ATOM 0 H2'' DT A 5 5.187 2.745 1.947 1.00 0.35 H new ATOM 0 H1' DT A 5 5.856 1.216 0.341 1.00 0.30 H new ATOM 0 H3 DT A 5 2.595 1.321 -2.615 1.00 0.29 H new ATOM 0 H71 DT A 5 0.908 -1.749 1.480 1.00 0.33 H new ATOM 0 H72 DT A 5 -0.034 -0.243 1.375 1.00 0.33 H new ATOM 0 H73 DT A 5 -0.110 -1.434 0.055 1.00 0.33 H new ATOM 0 H6 DT A 5 2.955 -0.579 1.783 1.00 0.23 H new ATOM 158 P DA A 6 6.643 3.671 3.727 1.00 0.62 P ATOM 159 OP1 DA A 6 7.891 4.264 4.256 1.00 0.78 O ATOM 160 OP2 DA A 6 5.348 3.971 4.381 1.00 0.68 O ATOM 161 O5' DA A 6 6.521 4.052 2.165 1.00 0.58 O ATOM 162 C5' DA A 6 7.591 3.754 1.257 1.00 0.59 C ATOM 163 C4' DA A 6 7.396 4.448 -0.088 1.00 0.55 C ATOM 164 O4' DA A 6 6.273 3.896 -0.805 1.00 0.50 O ATOM 165 C3' DA A 6 7.136 5.932 0.110 1.00 0.56 C ATOM 166 O3' DA A 6 8.281 6.711 -0.272 1.00 0.63 O ATOM 167 C2' DA A 6 5.925 6.248 -0.738 1.00 0.48 C ATOM 168 C1' DA A 6 5.538 4.962 -1.433 1.00 0.43 C ATOM 169 N9 DA A 6 4.084 4.728 -1.352 1.00 0.36 N ATOM 170 C8 DA A 6 3.349 4.171 -0.344 1.00 0.39 C ATOM 171 N7 DA A 6 2.064 4.159 -0.544 1.00 0.38 N ATOM 172 C5 DA A 6 1.937 4.747 -1.801 1.00 0.32 C ATOM 173 C6 DA A 6 0.831 5.032 -2.611 1.00 0.31 C ATOM 174 N6 DA A 6 -0.423 4.743 -2.269 1.00 0.39 N ATOM 175 N1 DA A 6 1.067 5.618 -3.796 1.00 0.29 N ATOM 176 C2 DA A 6 2.313 5.903 -4.169 1.00 0.28 C ATOM 177 N3 DA A 6 3.425 5.679 -3.482 1.00 0.31 N ATOM 178 C4 DA A 6 3.160 5.093 -2.298 1.00 0.31 C ATOM 0 H5' DA A 6 7.651 2.676 1.106 1.00 0.59 H new ATOM 0 H5'' DA A 6 8.539 4.068 1.695 1.00 0.59 H new ATOM 0 H4' DA A 6 8.311 4.293 -0.660 1.00 0.55 H new ATOM 0 H3' DA A 6 6.953 6.178 1.156 1.00 0.56 H new ATOM 0 H2' DA A 6 5.106 6.617 -0.121 1.00 0.48 H new ATOM 0 H2'' DA A 6 6.153 7.028 -1.465 1.00 0.48 H new ATOM 0 H1' DA A 6 5.782 5.017 -2.494 1.00 0.43 H new ATOM 0 H8 DA A 6 3.801 3.771 0.551 1.00 0.39 H new ATOM 0 H61 DA A 6 -1.190 4.974 -2.900 1.00 0.39 H new ATOM 0 H62 DA A 6 -0.617 4.290 -1.376 1.00 0.39 H new ATOM 0 H2 DA A 6 2.431 6.367 -5.137 1.00 0.28 H new ATOM 190 P DG A 7 8.141 8.271 -0.662 1.00 0.64 P ATOM 191 OP1 DG A 7 9.488 8.795 -0.983 1.00 0.75 O ATOM 192 OP2 DG A 7 7.318 8.937 0.373 1.00 0.69 O ATOM 193 O5' DG A 7 7.283 8.205 -2.024 1.00 0.53 O ATOM 194 C5' DG A 7 7.858 7.671 -3.223 1.00 0.53 C ATOM 195 C4' DG A 7 7.320 8.376 -4.463 1.00 0.42 C ATOM 196 O4' DG A 7 6.003 7.900 -4.820 1.00 0.34 O ATOM 197 C3' DG A 7 7.230 9.873 -4.221 1.00 0.40 C ATOM 198 O3' DG A 7 8.305 10.572 -4.856 1.00 0.44 O ATOM 199 C2' DG A 7 5.890 10.289 -4.779 1.00 0.30 C ATOM 200 C1' DG A 7 5.110 9.015 -5.035 1.00 0.28 C ATOM 201 N9 DG A 7 3.958 8.929 -4.126 1.00 0.28 N ATOM 202 C8 DG A 7 3.945 8.631 -2.798 1.00 0.33 C ATOM 203 N7 DG A 7 2.763 8.570 -2.257 1.00 0.33 N ATOM 204 C5 DG A 7 1.911 8.864 -3.323 1.00 0.26 C ATOM 205 C6 DG A 7 0.492 8.954 -3.365 1.00 0.28 C ATOM 206 O6 DG A 7 -0.315 8.777 -2.458 1.00 0.38 O ATOM 207 N1 DG A 7 0.039 9.276 -4.635 1.00 0.25 N ATOM 208 C2 DG A 7 0.844 9.490 -5.729 1.00 0.21 C ATOM 209 N2 DG A 7 0.230 9.877 -6.842 1.00 0.24 N ATOM 210 N3 DG A 7 2.174 9.401 -5.701 1.00 0.21 N ATOM 211 C4 DG A 7 2.638 9.088 -4.471 1.00 0.22 C ATOM 0 H5' DG A 7 7.642 6.604 -3.287 1.00 0.53 H new ATOM 0 H5'' DG A 7 8.942 7.775 -3.186 1.00 0.53 H new ATOM 0 H4' DG A 7 8.012 8.159 -5.276 1.00 0.42 H new ATOM 0 H3' DG A 7 7.314 10.114 -3.161 1.00 0.40 H new ATOM 0 H2' DG A 7 5.361 10.932 -4.076 1.00 0.30 H new ATOM 0 H2'' DG A 7 6.014 10.858 -5.700 1.00 0.30 H new ATOM 0 H1' DG A 7 4.729 9.004 -6.056 1.00 0.28 H new ATOM 0 H8 DG A 7 4.850 8.458 -2.234 1.00 0.33 H new ATOM 0 H1 DG A 7 -0.969 9.361 -4.768 1.00 0.25 H new ATOM 0 H21 DG A 7 0.771 10.052 -7.689 1.00 0.24 H new ATOM 0 H22 DG A 7 -0.783 9.999 -6.850 1.00 0.24 H new ATOM 223 P DC A 8 8.417 12.176 -4.752 1.00 0.47 P ATOM 224 OP1 DC A 8 9.765 12.578 -5.211 1.00 0.62 O ATOM 225 OP2 DC A 8 7.939 12.590 -3.413 1.00 0.60 O ATOM 226 O5' DC A 8 7.342 12.672 -5.844 1.00 0.35 O ATOM 227 C5' DC A 8 7.551 12.421 -7.239 1.00 0.41 C ATOM 228 C4' DC A 8 6.350 12.863 -8.070 1.00 0.47 C ATOM 229 O4' DC A 8 5.179 12.095 -7.731 1.00 0.49 O ATOM 230 C3' DC A 8 6.037 14.331 -7.823 1.00 0.50 C ATOM 231 O3' DC A 8 6.463 15.148 -8.918 1.00 0.68 O ATOM 232 C2' DC A 8 4.544 14.401 -7.631 1.00 0.61 C ATOM 233 C1' DC A 8 4.041 12.965 -7.592 1.00 0.51 C ATOM 234 N1 DC A 8 3.323 12.687 -6.331 1.00 0.44 N ATOM 235 C2 DC A 8 1.963 12.432 -6.413 1.00 0.51 C ATOM 236 O2 DC A 8 1.399 12.427 -7.502 1.00 0.65 O ATOM 237 N3 DC A 8 1.273 12.237 -5.260 1.00 0.48 N ATOM 238 C4 DC A 8 1.882 12.303 -4.073 1.00 0.43 C ATOM 239 N4 DC A 8 1.181 12.043 -2.972 1.00 0.48 N ATOM 240 C5 DC A 8 3.280 12.583 -3.980 1.00 0.48 C ATOM 241 C6 DC A 8 3.963 12.754 -5.128 1.00 0.45 C ATOM 0 H5' DC A 8 7.732 11.358 -7.396 1.00 0.41 H new ATOM 0 H5'' DC A 8 8.443 12.950 -7.576 1.00 0.41 H new ATOM 0 H4' DC A 8 6.607 12.705 -9.117 1.00 0.47 H new ATOM 0 H3' DC A 8 6.569 14.710 -6.950 1.00 0.50 H new ATOM 0 H2' DC A 8 4.297 14.923 -6.707 1.00 0.61 H new ATOM 0 H2'' DC A 8 4.075 14.954 -8.445 1.00 0.61 H new ATOM 0 HO3' DC A 8 6.247 16.085 -8.730 1.00 0.68 H new ATOM 0 H1' DC A 8 3.335 12.797 -8.405 1.00 0.51 H new ATOM 0 H41 DC A 8 1.631 12.089 -2.058 1.00 0.48 H new ATOM 0 H42 DC A 8 0.193 11.798 -3.042 1.00 0.48 H new ATOM 0 H5 DC A 8 3.772 12.655 -3.021 1.00 0.48 H new ATOM 0 H6 DC A 8 5.025 12.946 -5.096 1.00 0.45 H new TER 254 DC A 8 HETATM 255 C8' GPN B 9 -6.065 14.743 -6.466 1.00 0.68 C HETATM 256 C7' GPN B 9 -7.344 14.015 -6.890 1.00 0.63 C HETATM 257 O7' GPN B 9 -7.648 12.974 -6.344 1.00 0.66 O HETATM 258 C5' GPN B 9 -9.314 13.739 -8.315 1.00 0.65 C HETATM 259 C' GPN B 9 -9.076 12.379 -8.986 1.00 0.61 C HETATM 260 O1' GPN B 9 -9.132 12.260 -10.195 1.00 0.63 O HETATM 261 N4' GPN B 9 -8.102 14.499 -7.857 1.00 0.66 N HETATM 262 C3' GPN B 9 -7.761 15.804 -8.506 1.00 0.78 C HETATM 263 C2' GPN B 9 -8.294 16.957 -7.658 1.00 0.89 C HETATM 264 N1' GPN B 9 -9.503 16.867 -7.171 1.00 1.58 N HETATM 265 N9 GPN B 9 -5.175 14.061 -5.502 1.00 0.74 N HETATM 266 C8 GPN B 9 -5.408 13.725 -4.201 1.00 0.86 C HETATM 267 N7 GPN B 9 -4.434 13.101 -3.607 1.00 0.85 N HETATM 268 C5 GPN B 9 -3.461 13.012 -4.602 1.00 0.70 C HETATM 269 C6 GPN B 9 -2.162 12.435 -4.558 1.00 0.66 C HETATM 270 O6 GPN B 9 -1.604 11.870 -3.621 1.00 0.71 O HETATM 271 N1 GPN B 9 -1.508 12.566 -5.771 1.00 0.60 N HETATM 272 C2 GPN B 9 -2.034 13.162 -6.895 1.00 0.60 C HETATM 273 N2 GPN B 9 -1.268 13.158 -7.979 1.00 0.67 N HETATM 274 N3 GPN B 9 -3.251 13.705 -6.945 1.00 0.60 N HETATM 275 C4 GPN B 9 -3.906 13.597 -5.766 1.00 0.65 C HETATM 0 HN22 GPN B 9 -1.604 13.585 -8.842 1.00 0.67 H new HETATM 0 HN21 GPN B 9 -0.344 12.728 -7.949 1.00 0.67 H new HETATM 0 H8'2 GPN B 9 -5.486 14.956 -7.365 1.00 0.68 H new HETATM 0 H8'1 GPN B 9 -6.352 15.703 -6.037 1.00 0.68 H new HETATM 0 H5'2 GPN B 9 -9.864 14.369 -9.014 1.00 0.65 H new HETATM 0 H5'1 GPN B 9 -9.960 13.581 -7.452 1.00 0.65 H new HETATM 0 H3'2 GPN B 9 -6.681 15.893 -8.620 1.00 0.78 H new HETATM 0 H3'1 GPN B 9 -8.191 15.847 -9.507 1.00 0.78 H new HETATM 0 H2'2 GPN B 9 -7.609 17.097 -6.821 1.00 0.89 H new HETATM 0 H2'1 GPN B 9 -8.247 17.862 -8.263 1.00 0.89 H new HETATM 0 H1'3 GPN B 9 -9.722 17.713 -6.645 1.00 1.58 H new HETATM 0 H1'2 GPN B 9 -10.171 16.759 -7.935 1.00 1.58 H new HETATM 0 H1'1 GPN B 9 -9.562 16.058 -6.552 1.00 1.58 H new HETATM 0 HN1 GPN B 9 -0.562 12.191 -5.837 1.00 0.60 H new HETATM 0 H8 GPN B 9 -6.344 13.963 -3.695 1.00 0.86 H new HETATM 290 C8' CPN B 10 -5.193 9.853 -7.877 1.00 0.45 C HETATM 291 C7' CPN B 10 -5.570 8.709 -8.830 1.00 0.46 C HETATM 292 O7' CPN B 10 -4.956 7.666 -8.779 1.00 0.49 O HETATM 293 C5' CPN B 10 -6.828 7.728 -10.672 1.00 0.54 C HETATM 294 C' CPN B 10 -5.654 7.132 -11.460 1.00 0.50 C HETATM 295 O1' CPN B 10 -5.705 6.005 -11.910 1.00 0.55 O HETATM 296 N4' CPN B 10 -6.535 8.847 -9.716 1.00 0.49 N HETATM 297 C3' CPN B 10 -7.343 10.103 -9.780 1.00 0.52 C HETATM 298 C2' CPN B 10 -8.525 10.000 -8.803 1.00 0.56 C HETATM 299 N1' CPN B 10 -8.812 11.348 -8.218 1.00 0.59 N HETATM 300 N1 CPN B 10 -4.663 9.478 -6.552 1.00 0.46 N HETATM 301 C2 CPN B 10 -3.307 9.748 -6.262 1.00 0.41 C HETATM 302 N3 CPN B 10 -2.809 9.321 -5.059 1.00 0.42 N HETATM 303 C4 CPN B 10 -3.588 8.654 -4.198 1.00 0.44 C HETATM 304 C5 CPN B 10 -4.961 8.372 -4.507 1.00 0.51 C HETATM 305 C6 CPN B 10 -5.448 8.809 -5.677 1.00 0.53 C HETATM 306 O2 CPN B 10 -2.568 10.292 -7.100 1.00 0.46 O HETATM 307 N4 CPN B 10 -3.080 8.264 -3.031 1.00 0.50 N HETATM 0 HN42 CPN B 10 -3.662 7.755 -2.366 1.00 0.50 H new HETATM 0 HN41 CPN B 10 -2.108 8.474 -2.802 1.00 0.50 H new HETATM 0 H8'2 CPN B 10 -4.450 10.476 -8.374 1.00 0.45 H new HETATM 0 H8'1 CPN B 10 -6.077 10.472 -7.725 1.00 0.45 H new HETATM 0 H5'2 CPN B 10 -7.566 8.086 -11.390 1.00 0.54 H new HETATM 0 H5'1 CPN B 10 -7.297 6.921 -10.109 1.00 0.54 H new HETATM 0 H3'2 CPN B 10 -6.721 10.962 -9.527 1.00 0.52 H new HETATM 0 H3'1 CPN B 10 -7.708 10.262 -10.795 1.00 0.52 H new HETATM 0 H2'2 CPN B 10 -9.406 9.622 -9.321 1.00 0.56 H new HETATM 0 H2'1 CPN B 10 -8.293 9.290 -8.009 1.00 0.56 H new HETATM 0 H1'1 CPN B 10 -8.279 11.466 -7.356 1.00 0.59 H new HETATM 0 H6 CPN B 10 -6.492 8.622 -5.927 1.00 0.53 H new HETATM 0 H5 CPN B 10 -5.590 7.818 -3.810 1.00 0.51 H new HETATM 321 C8' TPN B 11 -1.056 7.779 -9.386 1.00 0.26 C HETATM 322 C7' TPN B 11 -0.421 7.154 -10.643 1.00 0.28 C HETATM 323 O7' TPN B 11 0.570 6.476 -10.520 1.00 0.32 O HETATM 324 C5' TPN B 11 -0.353 6.664 -13.073 1.00 0.44 C HETATM 325 C' TPN B 11 0.502 5.388 -12.928 1.00 0.40 C HETATM 326 O1' TPN B 11 1.392 5.173 -13.727 1.00 0.48 O HETATM 327 N4' TPN B 11 -0.952 7.333 -11.857 1.00 0.34 N HETATM 328 C3' TPN B 11 -2.161 8.206 -12.056 1.00 0.36 C HETATM 329 C2' TPN B 11 -3.398 7.354 -12.381 1.00 0.43 C HETATM 330 N1' TPN B 11 -4.594 7.878 -11.634 1.00 0.44 N HETATM 331 N1 TPN B 11 -1.261 6.945 -8.179 1.00 0.24 N HETATM 332 C6 TPN B 11 -2.487 6.396 -7.927 1.00 0.29 C HETATM 333 C2 TPN B 11 -0.246 6.896 -7.239 1.00 0.23 C HETATM 334 O2 TPN B 11 0.891 7.290 -7.477 1.00 0.26 O HETATM 335 N3 TPN B 11 -0.569 6.309 -6.031 1.00 0.25 N HETATM 336 C4 TPN B 11 -1.790 5.769 -5.684 1.00 0.28 C HETATM 337 O4 TPN B 11 -1.978 5.331 -4.551 1.00 0.32 O HETATM 338 C5 TPN B 11 -2.777 5.829 -6.737 1.00 0.30 C HETATM 339 C5M TPN B 11 -4.171 5.257 -6.496 1.00 0.45 C HETATM 0 HM53 TPN B 11 -4.913 6.049 -6.603 1.00 0.45 H new HETATM 0 HM52 TPN B 11 -4.372 4.470 -7.223 1.00 0.45 H new HETATM 0 HM51 TPN B 11 -4.225 4.843 -5.489 1.00 0.45 H new HETATM 0 H8'2 TPN B 11 -0.437 8.627 -9.095 1.00 0.26 H new HETATM 0 H8'1 TPN B 11 -2.028 8.178 -9.676 1.00 0.26 H new HETATM 0 H5'2 TPN B 11 0.264 7.408 -13.577 1.00 0.44 H new HETATM 0 H5'1 TPN B 11 -1.177 6.424 -13.745 1.00 0.44 H new HETATM 0 H3'2 TPN B 11 -2.344 8.793 -11.156 1.00 0.36 H new HETATM 0 H3'1 TPN B 11 -1.977 8.912 -12.866 1.00 0.36 H new HETATM 0 H2'2 TPN B 11 -3.592 7.373 -13.453 1.00 0.43 H new HETATM 0 H2'1 TPN B 11 -3.216 6.314 -12.109 1.00 0.43 H new HETATM 0 H1'2 TPN B 11 -5.410 7.308 -11.855 1.00 0.44 H new HETATM 0 HN3 TPN B 11 0.168 6.271 -5.326 1.00 0.25 H new HETATM 0 H6 TPN B 11 -3.249 6.417 -8.706 1.00 0.29 H new HETATM 354 C8' APN B 12 2.339 4.948 -8.364 1.00 0.28 C HETATM 355 C7' APN B 12 3.358 4.193 -9.223 1.00 0.32 C HETATM 356 O7' APN B 12 4.546 4.414 -9.074 1.00 0.36 O HETATM 357 C5' APN B 12 3.964 2.555 -10.933 1.00 0.38 C HETATM 358 C' APN B 12 4.924 1.565 -10.256 1.00 0.38 C HETATM 359 O1' APN B 12 4.753 0.368 -10.376 1.00 0.41 O HETATM 360 N4' APN B 12 2.959 3.313 -10.122 1.00 0.33 N HETATM 361 C3' APN B 12 1.497 3.065 -10.347 1.00 0.34 C HETATM 362 C2' APN B 12 1.135 3.294 -11.829 1.00 0.37 C HETATM 363 N1' APN B 12 0.276 4.522 -11.969 1.00 0.33 N HETATM 364 N9 APN B 12 1.406 4.176 -7.509 1.00 0.26 N HETATM 365 C8 APN B 12 0.064 3.958 -7.660 1.00 0.28 C HETATM 366 N7 APN B 12 -0.491 3.269 -6.711 1.00 0.32 N HETATM 367 C5 APN B 12 0.572 3.011 -5.851 1.00 0.28 C HETATM 368 C6 APN B 12 0.661 2.322 -4.640 1.00 0.32 C HETATM 369 N6 APN B 12 -0.379 1.725 -4.063 1.00 0.47 N HETATM 370 N1 APN B 12 1.867 2.258 -4.054 1.00 0.29 N HETATM 371 C2 APN B 12 2.923 2.836 -4.625 1.00 0.27 C HETATM 372 N3 APN B 12 2.950 3.508 -5.767 1.00 0.27 N HETATM 373 C4 APN B 12 1.729 3.558 -6.331 1.00 0.25 C HETATM 0 HN62 APN B 12 -0.258 1.235 -3.177 1.00 0.47 H new HETATM 0 HN61 APN B 12 -1.297 1.758 -4.507 1.00 0.47 H new HETATM 0 H8'2 APN B 12 2.894 5.627 -7.716 1.00 0.28 H new HETATM 0 H8'1 APN B 12 1.738 5.565 -9.032 1.00 0.28 H new HETATM 0 H5'2 APN B 12 4.576 3.290 -11.456 1.00 0.38 H new HETATM 0 H5'1 APN B 12 3.413 2.001 -11.692 1.00 0.38 H new HETATM 0 H3'2 APN B 12 1.246 2.044 -10.058 1.00 0.34 H new HETATM 0 H3'1 APN B 12 0.907 3.729 -9.715 1.00 0.34 H new HETATM 0 H2'2 APN B 12 2.044 3.407 -12.420 1.00 0.37 H new HETATM 0 H2'1 APN B 12 0.607 2.425 -12.221 1.00 0.37 H new HETATM 0 H1'3 APN B 12 0.043 4.664 -12.952 1.00 0.33 H new HETATM 0 H8 APN B 12 -0.498 4.335 -8.515 1.00 0.28 H new HETATM 0 H2 APN B 12 3.870 2.746 -4.094 1.00 0.27 H new HETATM 387 C8' TPN B 13 5.787 1.254 -5.767 1.00 0.34 C HETATM 388 C7' TPN B 13 7.162 0.557 -5.795 1.00 0.39 C HETATM 389 O7' TPN B 13 7.463 -0.222 -4.912 1.00 0.44 O HETATM 390 C5' TPN B 13 9.348 0.085 -6.803 1.00 0.48 C HETATM 391 C' TPN B 13 9.396 -1.432 -7.031 1.00 0.35 C HETATM 392 O1' TPN B 13 10.403 -1.940 -7.484 1.00 0.37 O HETATM 393 N4' TPN B 13 8.026 0.796 -6.769 1.00 0.42 N HETATM 394 C3' TPN B 13 7.709 1.779 -7.846 1.00 0.42 C HETATM 395 C2' TPN B 13 6.934 1.075 -8.960 1.00 0.41 C HETATM 396 N1' TPN B 13 5.957 2.021 -9.591 1.00 0.39 N HETATM 397 N1 TPN B 13 4.569 0.453 -5.497 1.00 0.32 N HETATM 398 C6 TPN B 13 3.530 0.459 -6.388 1.00 0.31 C HETATM 399 C2 TPN B 13 4.520 -0.313 -4.343 1.00 0.34 C HETATM 400 O2 TPN B 13 5.370 -0.235 -3.463 1.00 0.39 O HETATM 401 N3 TPN B 13 3.383 -1.073 -4.174 1.00 0.34 N HETATM 402 C4 TPN B 13 2.301 -1.128 -5.027 1.00 0.32 C HETATM 403 O4 TPN B 13 1.327 -1.822 -4.753 1.00 0.37 O HETATM 404 C5 TPN B 13 2.433 -0.290 -6.195 1.00 0.30 C HETATM 405 C5M TPN B 13 1.330 -0.271 -7.245 1.00 0.36 C HETATM 0 HM53 TPN B 13 0.950 0.745 -7.355 1.00 0.36 H new HETATM 0 HM52 TPN B 13 1.730 -0.615 -8.199 1.00 0.36 H new HETATM 0 HM51 TPN B 13 0.519 -0.930 -6.933 1.00 0.36 H new HETATM 0 H8'2 TPN B 13 5.835 2.040 -5.014 1.00 0.34 H new HETATM 0 H8'1 TPN B 13 5.649 1.744 -6.731 1.00 0.34 H new HETATM 0 H5'2 TPN B 13 9.849 0.287 -5.856 1.00 0.48 H new HETATM 0 H5'1 TPN B 13 9.946 0.550 -7.586 1.00 0.48 H new HETATM 0 H3'2 TPN B 13 7.120 2.602 -7.441 1.00 0.42 H new HETATM 0 H3'1 TPN B 13 8.628 2.210 -8.243 1.00 0.42 H new HETATM 0 H2'2 TPN B 13 7.627 0.700 -9.714 1.00 0.41 H new HETATM 0 H2'1 TPN B 13 6.406 0.212 -8.555 1.00 0.41 H new HETATM 0 H1'2 TPN B 13 5.447 1.540 -10.332 1.00 0.39 H new HETATM 0 HN3 TPN B 13 3.337 -1.652 -3.335 1.00 0.34 H new HETATM 0 H6 TPN B 13 3.595 1.088 -7.276 1.00 0.31 H new HETATM 420 C8' GPN B 14 6.040 -4.749 -4.375 1.00 0.30 C HETATM 421 C7' GPN B 14 6.866 -5.888 -4.996 1.00 0.35 C HETATM 422 O7' GPN B 14 6.417 -7.017 -5.006 1.00 0.50 O HETATM 423 C5' GPN B 14 8.915 -6.792 -6.009 1.00 0.53 C HETATM 424 C' GPN B 14 8.843 -8.112 -5.228 1.00 0.71 C HETATM 425 O1' GPN B 14 9.514 -8.294 -4.229 1.00 0.84 O HETATM 426 N4' GPN B 14 8.081 -5.657 -5.485 1.00 0.34 N HETATM 427 C3' GPN B 14 8.632 -4.270 -5.522 1.00 0.26 C HETATM 428 C2' GPN B 14 8.385 -3.647 -6.903 1.00 0.30 C HETATM 429 N1' GPN B 14 8.354 -2.164 -6.735 1.00 0.37 N HETATM 430 N9 GPN B 14 4.573 -4.818 -4.419 1.00 0.29 N HETATM 431 C8 GPN B 14 3.731 -4.264 -5.324 1.00 0.32 C HETATM 432 N7 GPN B 14 2.472 -4.528 -5.144 1.00 0.33 N HETATM 433 C5 GPN B 14 2.476 -5.306 -3.986 1.00 0.27 C HETATM 434 C6 GPN B 14 1.392 -5.887 -3.274 1.00 0.27 C HETATM 435 O6 GPN B 14 0.193 -5.846 -3.537 1.00 0.33 O HETATM 436 N1 GPN B 14 1.830 -6.581 -2.159 1.00 0.28 N HETATM 437 C2 GPN B 14 3.146 -6.712 -1.771 1.00 0.33 C HETATM 438 N2 GPN B 14 3.368 -7.396 -0.656 1.00 0.44 N HETATM 439 N3 GPN B 14 4.169 -6.175 -2.437 1.00 0.33 N HETATM 440 C4 GPN B 14 3.762 -5.486 -3.531 1.00 0.27 C HETATM 0 HN22 GPN B 14 4.322 -7.526 -0.319 1.00 0.44 H new HETATM 0 HN21 GPN B 14 2.585 -7.792 -0.136 1.00 0.44 H new HETATM 0 H8'2 GPN B 14 6.333 -4.665 -3.328 1.00 0.30 H new HETATM 0 H8'1 GPN B 14 6.339 -3.822 -4.865 1.00 0.30 H new HETATM 0 H5'2 GPN B 14 9.955 -6.467 -6.035 1.00 0.53 H new HETATM 0 H5'1 GPN B 14 8.616 -6.988 -7.039 1.00 0.53 H new HETATM 0 H3'2 GPN B 14 8.162 -3.662 -4.749 1.00 0.26 H new HETATM 0 H3'1 GPN B 14 9.700 -4.288 -5.307 1.00 0.26 H new HETATM 0 H2'2 GPN B 14 9.172 -3.936 -7.599 1.00 0.30 H new HETATM 0 H2'1 GPN B 14 7.444 -4.004 -7.320 1.00 0.30 H new HETATM 0 H1'3 GPN B 14 8.191 -1.722 -7.640 1.00 0.37 H new HETATM 0 HN1 GPN B 14 1.122 -7.031 -1.578 1.00 0.28 H new HETATM 0 H8 GPN B 14 4.085 -3.641 -6.145 1.00 0.32 H new HETATM 454 C8' TPN B 15 4.254 -9.194 -3.748 1.00 0.60 C HETATM 455 C7' TPN B 15 4.626 -10.677 -3.707 1.00 0.76 C HETATM 456 O7' TPN B 15 3.743 -11.509 -3.686 1.00 0.80 O HETATM 457 C5' TPN B 15 6.216 -12.512 -3.442 1.00 1.07 C HETATM 458 C' TPN B 15 5.346 -13.300 -2.444 1.00 1.02 C HETATM 459 O1' TPN B 15 5.321 -14.515 -2.433 1.00 1.15 O HETATM 460 N4' TPN B 15 5.887 -11.057 -3.615 1.00 0.89 N HETATM 461 C3' TPN B 15 6.987 -10.048 -3.684 1.00 0.87 C HETATM 462 C2' TPN B 15 7.870 -10.322 -4.915 1.00 0.98 C HETATM 463 N1' TPN B 15 8.021 -9.032 -5.655 1.00 0.80 N HETATM 464 N1 TPN B 15 2.913 -8.831 -4.227 1.00 0.50 N HETATM 465 C6 TPN B 15 2.772 -8.253 -5.445 1.00 0.52 C HETATM 466 C2 TPN B 15 1.816 -9.185 -3.453 1.00 0.44 C HETATM 467 O2 TPN B 15 1.925 -9.625 -2.310 1.00 0.47 O HETATM 468 N3 TPN B 15 0.582 -8.949 -4.019 1.00 0.43 N HETATM 469 C4 TPN B 15 0.351 -8.382 -5.259 1.00 0.51 C HETATM 470 O4 TPN B 15 -0.793 -8.270 -5.684 1.00 0.61 O HETATM 471 C5 TPN B 15 1.556 -8.019 -5.976 1.00 0.54 C HETATM 472 C5M TPN B 15 1.448 -7.359 -7.348 1.00 0.66 C HETATM 0 HM53 TPN B 15 1.920 -6.377 -7.318 1.00 0.66 H new HETATM 0 HM52 TPN B 15 1.949 -7.980 -8.091 1.00 0.66 H new HETATM 0 HM51 TPN B 15 0.397 -7.248 -7.617 1.00 0.66 H new HETATM 0 H8'2 TPN B 15 4.368 -8.793 -2.741 1.00 0.60 H new HETATM 0 H8'1 TPN B 15 4.983 -8.684 -4.378 1.00 0.60 H new HETATM 0 H5'2 TPN B 15 7.256 -12.591 -3.125 1.00 1.07 H new HETATM 0 H5'1 TPN B 15 6.142 -12.997 -4.416 1.00 1.07 H new HETATM 0 H3'2 TPN B 15 6.568 -9.043 -3.742 1.00 0.87 H new HETATM 0 H3'1 TPN B 15 7.589 -10.090 -2.776 1.00 0.87 H new HETATM 0 H2'2 TPN B 15 8.844 -10.706 -4.611 1.00 0.98 H new HETATM 0 H2'1 TPN B 15 7.414 -11.079 -5.553 1.00 0.98 H new HETATM 0 H1'3 TPN B 15 8.603 -9.179 -6.480 1.00 0.80 H new HETATM 0 HN3 TPN B 15 -0.237 -9.217 -3.473 1.00 0.43 H new HETATM 0 H6 TPN B 15 3.662 -7.971 -6.007 1.00 0.52 H new HETATM 487 C8' CPN B 16 1.002 -13.373 -2.329 1.00 0.65 C HETATM 488 C7' CPN B 16 0.614 -13.459 -0.843 1.00 0.60 C HETATM 489 O7' CPN B 16 -0.403 -14.040 -0.520 1.00 0.68 O HETATM 490 C5' CPN B 16 0.913 -12.949 1.522 1.00 0.57 C HETATM 491 C' CPN B 16 0.031 -11.803 2.029 1.00 0.57 C HETATM 492 O1' CPN B 16 -1.103 -11.674 1.616 1.00 0.62 O HETATM 493 N4' CPN B 16 1.359 -12.896 0.098 1.00 0.56 N HETATM 494 C3' CPN B 16 2.647 -12.203 -0.226 1.00 0.63 C HETATM 495 C2' CPN B 16 3.712 -13.230 -0.616 1.00 0.81 C HETATM 496 N1' CPN B 16 4.630 -12.590 -1.604 1.00 0.86 N HETATM 497 N1 CPN B 16 0.111 -12.680 -3.304 1.00 0.62 N HETATM 498 C2 CPN B 16 -1.258 -13.054 -3.367 1.00 0.58 C HETATM 499 N3 CPN B 16 -1.980 -12.690 -4.469 1.00 0.65 N HETATM 500 C4 CPN B 16 -1.417 -11.992 -5.457 1.00 0.72 C HETATM 501 C5 CPN B 16 -0.049 -11.588 -5.391 1.00 0.75 C HETATM 502 C6 CPN B 16 0.663 -11.927 -4.300 1.00 0.72 C HETATM 503 O2 CPN B 16 -1.810 -13.658 -2.437 1.00 0.58 O HETATM 504 N4 CPN B 16 -2.158 -11.637 -6.504 1.00 0.82 N HETATM 0 HN42 CPN B 16 -1.741 -11.103 -7.267 1.00 0.82 H new HETATM 0 HN41 CPN B 16 -3.143 -11.899 -6.544 1.00 0.82 H new HETATM 0 H8'2 CPN B 16 1.976 -12.886 -2.380 1.00 0.65 H new HETATM 0 H8'1 CPN B 16 1.138 -14.394 -2.686 1.00 0.65 H new HETATM 0 H5'2 CPN B 16 1.802 -12.994 2.152 1.00 0.57 H new HETATM 0 H5'1 CPN B 16 0.370 -13.882 1.670 1.00 0.57 H new HETATM 0 H3'2 CPN B 16 2.494 -11.498 -1.043 1.00 0.63 H new HETATM 0 H3'1 CPN B 16 2.985 -11.626 0.635 1.00 0.63 H new HETATM 0 H2'2 CPN B 16 4.267 -13.557 0.264 1.00 0.81 H new HETATM 0 H2'1 CPN B 16 3.247 -14.117 -1.047 1.00 0.81 H new HETATM 0 H1'2 CPN B 16 5.351 -13.257 -1.880 1.00 0.86 H new HETATM 0 H6 CPN B 16 1.697 -11.595 -4.210 1.00 0.72 H new HETATM 0 H5 CPN B 16 0.407 -11.020 -6.202 1.00 0.75 H new HETATM 518 N NH2 B 17 -1.047 -11.717 2.758 1.00 0.74 N TER 521 NH2 B 17