USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 460 hydrogens (0 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 Single : A 1 G O2' : rot -10:sc= -1.08 USER MOD Single : A 2 C O2' : rot -62:sc= 0.876 USER MOD Single : A 3 C O2' : rot -20:sc= 0.176 USER MOD Single : A 4 C O2' : rot 51:sc= -5.36! USER MOD Single : A 5 U O2' : rot -13:sc= -0.175 USER MOD Single : A 6 G O2' : rot 166:sc= 0.796 USER MOD Single : A 7 A O2' : rot -116:sc= -3.5! USER MOD Single : A 8 A O2' : rot 50:sc= -2.53! USER MOD Single : A 9 A O2' : rot -19:sc= 0.135 USER MOD Single : A 10 A O2' : rot -22:sc= 0.119 USER MOD Single : A 11 A O2' : rot -84:sc= -0.831! USER MOD Single : A 12 G O2' : rot -91:sc= 0.494 USER MOD Single : A 13 G O2' : rot 54:sc= -6.54! USER MOD Single : A 14 G O2' : rot 180:sc= -3.24! USER MOD Single : A 15 C O2' : rot -17:sc= 0.187 USER MOD Single : A 15 C O3' : rot 180:sc= 0.191 USER MOD Single : B 4 GLN :FLIP amide:sc= -0.0671 F(o=-0.86,f=-0.067) USER MOD Single : B 5 THR OG1 : rot 180:sc= 0 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -3.04! C(o=-3.9!,f=-3!) USER MOD Single : B 17 GLN : amide:sc=-0.00292 K(o=-0.0029,f=-0.53) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.8! C(o=-6.3!,f=-5.8!) USER MOD Single : B 29 SER OG : rot 180:sc= 0.207 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.0335 K(o=-0.033,f=-1.5!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.802 -10.433 -0.457 1.00 0.76 N ATOM 2 CA ASP B 2 10.194 -11.027 0.771 1.00 0.88 C ATOM 3 C ASP B 2 8.692 -11.220 0.575 1.00 0.68 C ATOM 4 O ASP B 2 8.194 -11.251 -0.532 1.00 0.66 O ATOM 5 CB ASP B 2 10.457 -10.016 1.892 1.00 1.25 C ATOM 6 CG ASP B 2 11.939 -9.634 1.913 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.763 -10.534 1.907 1.00 2.37 O ATOM 8 OD2 ASP B 2 12.225 -8.448 1.937 1.00 2.35 O ATOM 0 HA ASP B 2 10.619 -12.004 1.001 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.845 -9.126 1.742 1.00 1.25 H new ATOM 0 HB3 ASP B 2 10.169 -10.442 2.853 1.00 1.25 H new ATOM 15 N ALA B 3 7.973 -11.351 1.652 1.00 0.63 N ATOM 16 CA ALA B 3 6.497 -11.544 1.556 1.00 0.58 C ATOM 17 C ALA B 3 5.778 -10.197 1.634 1.00 0.63 C ATOM 18 O ALA B 3 4.688 -10.038 1.122 1.00 0.61 O ATOM 19 CB ALA B 3 6.136 -12.412 2.761 1.00 0.75 C ATOM 0 H ALA B 3 8.344 -11.333 2.602 1.00 0.63 H new ATOM 0 HA ALA B 3 6.202 -12.005 0.614 1.00 0.58 H new ATOM 0 HB1 ALA B 3 5.063 -12.601 2.765 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.671 -13.360 2.700 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.416 -11.895 3.679 1.00 0.75 H new ATOM 25 N GLN B 4 6.377 -9.226 2.270 1.00 0.75 N ATOM 26 CA GLN B 4 5.720 -7.890 2.373 1.00 0.89 C ATOM 27 C GLN B 4 5.755 -7.210 1.018 1.00 0.79 C ATOM 28 O GLN B 4 4.727 -6.909 0.442 1.00 0.81 O ATOM 29 CB GLN B 4 6.542 -7.113 3.405 1.00 1.09 C ATOM 30 CG GLN B 4 5.805 -5.830 3.806 1.00 1.29 C ATOM 31 CD GLN B 4 6.522 -4.619 3.205 1.00 0.85 C ATOM 32 OE1 GLN B 4 5.886 -3.848 2.367 1.00 1.14 O flip ATOM 33 NE2 GLN B 4 7.674 -4.371 3.504 1.00 0.94 N flip ATOM 0 H GLN B 4 7.289 -9.299 2.721 1.00 0.75 H new ATOM 0 HA GLN B 4 4.674 -7.953 2.675 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.715 -7.733 4.285 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.520 -6.866 2.992 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.774 -5.866 3.455 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.770 -5.743 4.892 1.00 1.29 H new ATOM 0 HE21 GLN B 4 8.172 -4.974 4.159 1.00 0.94 H new ATOM 0 HE22 GLN B 4 8.143 -3.560 3.100 1.00 0.94 H new ATOM 42 N THR B 5 6.925 -7.005 0.480 1.00 0.76 N ATOM 43 CA THR B 5 7.007 -6.389 -0.876 1.00 0.79 C ATOM 44 C THR B 5 6.104 -7.204 -1.800 1.00 0.59 C ATOM 45 O THR B 5 5.512 -6.699 -2.733 1.00 0.57 O ATOM 46 CB THR B 5 8.475 -6.510 -1.290 1.00 0.94 C ATOM 47 OG1 THR B 5 9.274 -5.702 -0.437 1.00 1.26 O ATOM 48 CG2 THR B 5 8.640 -6.048 -2.737 1.00 0.94 C ATOM 0 H THR B 5 7.819 -7.234 0.914 1.00 0.76 H new ATOM 0 HA THR B 5 6.689 -5.347 -0.910 1.00 0.79 H new ATOM 0 HB THR B 5 8.791 -7.550 -1.207 1.00 0.94 H new ATOM 0 HG1 THR B 5 10.215 -5.780 -0.700 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.686 -6.135 -3.030 1.00 0.94 H new ATOM 0 HG22 THR B 5 8.028 -6.670 -3.390 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.324 -5.009 -2.825 1.00 0.94 H new ATOM 56 N ARG B 6 5.973 -8.468 -1.495 1.00 0.48 N ATOM 57 CA ARG B 6 5.084 -9.351 -2.287 1.00 0.46 C ATOM 58 C ARG B 6 3.642 -9.013 -1.969 1.00 0.43 C ATOM 59 O ARG B 6 2.813 -8.874 -2.847 1.00 0.45 O ATOM 60 CB ARG B 6 5.366 -10.766 -1.795 1.00 0.56 C ATOM 61 CG ARG B 6 6.059 -11.575 -2.895 1.00 0.78 C ATOM 62 CD ARG B 6 5.078 -12.598 -3.474 1.00 1.03 C ATOM 63 NE ARG B 6 4.855 -13.584 -2.376 1.00 0.88 N ATOM 64 CZ ARG B 6 4.113 -14.647 -2.575 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.553 -14.864 -3.738 1.00 1.26 N ATOM 66 NH2 ARG B 6 3.930 -15.498 -1.603 1.00 1.43 N ATOM 0 H ARG B 6 6.452 -8.927 -0.720 1.00 0.48 H new ATOM 0 HA ARG B 6 5.252 -9.241 -3.358 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.996 -10.732 -0.906 1.00 0.56 H new ATOM 0 HB3 ARG B 6 4.434 -11.252 -1.507 1.00 0.56 H new ATOM 0 HG2 ARG B 6 6.413 -10.909 -3.682 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.934 -12.084 -2.490 1.00 0.78 H new ATOM 0 HD2 ARG B 6 4.144 -12.123 -3.774 1.00 1.03 H new ATOM 0 HD3 ARG B 6 5.489 -13.081 -4.361 1.00 1.03 H new ATOM 0 HE ARG B 6 5.283 -13.430 -1.463 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.692 -14.203 -4.502 1.00 1.26 H new ATOM 0 HH12 ARG B 6 2.978 -15.694 -3.880 1.00 1.26 H new ATOM 0 HH21 ARG B 6 4.363 -15.335 -0.694 1.00 1.43 H new ATOM 0 HH22 ARG B 6 3.354 -16.326 -1.752 1.00 1.43 H new ATOM 80 N ARG B 7 3.331 -8.893 -0.704 1.00 0.61 N ATOM 81 CA ARG B 7 1.931 -8.579 -0.337 1.00 0.80 C ATOM 82 C ARG B 7 1.542 -7.248 -0.977 1.00 0.65 C ATOM 83 O ARG B 7 0.413 -7.041 -1.372 1.00 0.56 O ATOM 84 CB ARG B 7 1.906 -8.489 1.193 1.00 1.16 C ATOM 85 CG ARG B 7 0.569 -7.886 1.656 1.00 1.10 C ATOM 86 CD ARG B 7 0.648 -7.537 3.144 1.00 0.92 C ATOM 87 NE ARG B 7 -0.336 -6.432 3.348 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.615 -6.688 3.483 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.056 -7.916 3.441 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.456 -5.708 3.660 1.00 1.61 N ATOM 0 H ARG B 7 3.980 -8.998 0.076 1.00 0.61 H new ATOM 0 HA ARG B 7 1.224 -9.332 -0.684 1.00 0.80 H new ATOM 0 HB2 ARG B 7 2.039 -9.480 1.627 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.734 -7.874 1.544 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.341 -6.993 1.075 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.240 -8.595 1.481 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.403 -8.400 3.763 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.654 -7.222 3.420 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.009 -5.466 3.383 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.404 -8.688 3.302 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.053 -8.104 3.547 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.119 -4.746 3.693 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.452 -5.903 3.765 1.00 1.61 H new ATOM 104 N ARG B 8 2.484 -6.353 -1.096 1.00 0.68 N ATOM 105 CA ARG B 8 2.191 -5.035 -1.727 1.00 0.67 C ATOM 106 C ARG B 8 1.588 -5.268 -3.097 1.00 0.48 C ATOM 107 O ARG B 8 0.630 -4.628 -3.482 1.00 0.50 O ATOM 108 CB ARG B 8 3.552 -4.339 -1.840 1.00 0.77 C ATOM 109 CG ARG B 8 3.422 -2.850 -1.496 1.00 0.73 C ATOM 110 CD ARG B 8 2.723 -2.654 -0.138 1.00 0.73 C ATOM 111 NE ARG B 8 3.103 -3.833 0.703 1.00 0.85 N ATOM 112 CZ ARG B 8 2.390 -4.167 1.750 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.331 -3.481 2.090 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.742 -5.197 2.462 1.00 1.16 N ATOM 0 H ARG B 8 3.447 -6.478 -0.783 1.00 0.68 H new ATOM 0 HA ARG B 8 1.484 -4.433 -1.156 1.00 0.67 H new ATOM 0 HB2 ARG B 8 4.267 -4.813 -1.167 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.943 -4.452 -2.851 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.411 -2.392 -1.469 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.856 -2.341 -2.277 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.040 -1.723 0.332 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.642 -2.597 -0.262 1.00 0.73 H new ATOM 0 HE ARG B 8 3.927 -4.383 0.458 1.00 0.85 H new ATOM 0 HH11 ARG B 8 1.048 -2.672 1.537 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.787 -3.755 2.908 1.00 1.43 H new ATOM 0 HH21 ARG B 8 3.567 -5.738 2.204 1.00 1.16 H new ATOM 0 HH22 ARG B 8 2.193 -5.464 3.279 1.00 1.16 H new ATOM 128 N GLU B 9 2.107 -6.216 -3.817 1.00 0.38 N ATOM 129 CA GLU B 9 1.511 -6.521 -5.141 1.00 0.34 C ATOM 130 C GLU B 9 0.080 -6.970 -4.889 1.00 0.31 C ATOM 131 O GLU B 9 -0.830 -6.658 -5.630 1.00 0.34 O ATOM 132 CB GLU B 9 2.357 -7.648 -5.740 1.00 0.40 C ATOM 133 CG GLU B 9 3.827 -7.222 -5.783 1.00 0.59 C ATOM 134 CD GLU B 9 4.471 -7.732 -7.073 1.00 1.24 C ATOM 135 OE1 GLU B 9 4.290 -7.094 -8.096 1.00 1.88 O ATOM 136 OE2 GLU B 9 5.136 -8.754 -7.015 1.00 1.73 O ATOM 0 H GLU B 9 2.909 -6.787 -3.551 1.00 0.38 H new ATOM 0 HA GLU B 9 1.497 -5.673 -5.826 1.00 0.34 H new ATOM 0 HB2 GLU B 9 2.248 -8.554 -5.144 1.00 0.40 H new ATOM 0 HB3 GLU B 9 2.007 -7.884 -6.745 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.903 -6.136 -5.731 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.357 -7.620 -4.918 1.00 0.59 H new ATOM 143 N ARG B 10 -0.119 -7.651 -3.796 1.00 0.31 N ATOM 144 CA ARG B 10 -1.487 -8.072 -3.422 1.00 0.38 C ATOM 145 C ARG B 10 -2.246 -6.841 -2.940 1.00 0.35 C ATOM 146 O ARG B 10 -3.460 -6.829 -2.886 1.00 0.40 O ATOM 147 CB ARG B 10 -1.306 -9.077 -2.284 1.00 0.46 C ATOM 148 CG ARG B 10 -1.572 -10.495 -2.796 1.00 0.73 C ATOM 149 CD ARG B 10 -0.457 -11.430 -2.315 1.00 0.67 C ATOM 150 NE ARG B 10 -0.025 -12.176 -3.534 1.00 1.55 N ATOM 151 CZ ARG B 10 -0.795 -13.097 -4.062 1.00 2.12 C ATOM 152 NH1 ARG B 10 -1.958 -13.381 -3.534 1.00 2.20 N ATOM 153 NH2 ARG B 10 -0.397 -13.736 -5.128 1.00 3.14 N ATOM 0 H ARG B 10 0.614 -7.933 -3.145 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.044 -8.516 -4.247 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.294 -9.009 -1.884 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -1.988 -8.842 -1.467 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -2.538 -10.848 -2.435 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -1.618 -10.497 -3.885 1.00 0.73 H new ATOM 0 HD2 ARG B 10 0.371 -10.868 -1.883 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -0.818 -12.110 -1.543 1.00 0.67 H new ATOM 0 HE ARG B 10 0.878 -11.967 -3.960 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -2.275 -12.884 -2.702 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -2.547 -14.100 -3.955 1.00 2.20 H new ATOM 0 HH21 ARG B 10 0.508 -13.518 -5.545 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -0.991 -14.454 -5.544 1.00 3.14 H new ATOM 167 N ARG B 11 -1.533 -5.792 -2.606 1.00 0.29 N ATOM 168 CA ARG B 11 -2.214 -4.559 -2.152 1.00 0.29 C ATOM 169 C ARG B 11 -2.449 -3.629 -3.336 1.00 0.24 C ATOM 170 O ARG B 11 -2.954 -2.540 -3.172 1.00 0.25 O ATOM 171 CB ARG B 11 -1.274 -3.901 -1.145 1.00 0.32 C ATOM 172 CG ARG B 11 -1.108 -4.790 0.099 1.00 0.41 C ATOM 173 CD ARG B 11 -2.481 -5.112 0.701 1.00 0.55 C ATOM 174 NE ARG B 11 -2.505 -6.602 0.806 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.612 -7.235 1.109 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.721 -6.577 1.328 1.00 3.24 N ATOM 177 NH2 ARG B 11 -3.607 -8.538 1.194 1.00 1.76 N ATOM 0 H ARG B 11 -0.514 -5.745 -2.631 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.184 -4.778 -1.706 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.302 -3.726 -1.606 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.668 -2.927 -0.853 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.594 -5.713 -0.170 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.488 -4.283 0.838 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.606 -4.644 1.677 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.288 -4.746 0.066 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.650 -7.133 0.640 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.731 -5.559 1.264 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.576 -7.082 1.563 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -2.745 -9.057 1.025 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.465 -9.037 1.429 1.00 1.76 H new ATOM 191 N ALA B 12 -2.114 -4.047 -4.532 1.00 0.24 N ATOM 192 CA ALA B 12 -2.367 -3.161 -5.708 1.00 0.28 C ATOM 193 C ALA B 12 -3.847 -2.782 -5.702 1.00 0.31 C ATOM 194 O ALA B 12 -4.237 -1.732 -6.173 1.00 0.33 O ATOM 195 CB ALA B 12 -2.020 -4.000 -6.938 1.00 0.34 C ATOM 0 H ALA B 12 -1.684 -4.948 -4.742 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.779 -2.243 -5.694 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.183 -3.409 -7.839 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -0.974 -4.304 -6.888 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -2.654 -4.886 -6.965 1.00 0.34 H new ATOM 201 N GLU B 13 -4.666 -3.627 -5.128 1.00 0.34 N ATOM 202 CA GLU B 13 -6.113 -3.316 -5.037 1.00 0.41 C ATOM 203 C GLU B 13 -6.304 -2.261 -3.953 1.00 0.38 C ATOM 204 O GLU B 13 -7.140 -1.386 -4.065 1.00 0.42 O ATOM 205 CB GLU B 13 -6.791 -4.632 -4.650 1.00 0.48 C ATOM 206 CG GLU B 13 -6.523 -5.682 -5.732 1.00 0.52 C ATOM 207 CD GLU B 13 -7.273 -6.970 -5.391 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.867 -7.640 -4.456 1.00 1.18 O ATOM 209 OE2 GLU B 13 -8.242 -7.264 -6.071 1.00 1.15 O ATOM 0 H GLU B 13 -4.388 -4.519 -4.719 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.532 -2.927 -5.965 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.412 -4.980 -3.689 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -7.864 -4.480 -4.533 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -6.845 -5.308 -6.704 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -5.454 -5.880 -5.805 1.00 0.52 H new ATOM 216 N LYS B 14 -5.497 -2.311 -2.921 1.00 0.33 N ATOM 217 CA LYS B 14 -5.596 -1.282 -1.854 1.00 0.33 C ATOM 218 C LYS B 14 -4.920 -0.019 -2.380 1.00 0.28 C ATOM 219 O LYS B 14 -5.365 1.092 -2.168 1.00 0.30 O ATOM 220 CB LYS B 14 -4.825 -1.861 -0.667 1.00 0.31 C ATOM 221 CG LYS B 14 -5.562 -3.082 -0.116 1.00 0.38 C ATOM 222 CD LYS B 14 -6.612 -2.630 0.904 1.00 1.23 C ATOM 223 CE LYS B 14 -6.443 -3.425 2.201 1.00 1.37 C ATOM 224 NZ LYS B 14 -7.376 -4.580 2.070 1.00 1.83 N ATOM 0 H LYS B 14 -4.778 -3.020 -2.777 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.618 -1.036 -1.565 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.819 -2.142 -0.978 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.719 -1.106 0.112 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.041 -3.628 -0.929 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.854 -3.765 0.354 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.505 -1.564 1.103 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.614 -2.781 0.501 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -5.414 -3.761 2.326 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -6.688 -2.817 3.072 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -7.317 -5.173 2.923 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.349 -4.230 1.959 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -7.114 -5.145 1.237 1.00 1.83 H new ATOM 238 N GLN B 15 -3.849 -0.216 -3.090 1.00 0.25 N ATOM 239 CA GLN B 15 -3.092 0.908 -3.691 1.00 0.24 C ATOM 240 C GLN B 15 -3.925 1.568 -4.782 1.00 0.28 C ATOM 241 O GLN B 15 -4.100 2.765 -4.802 1.00 0.28 O ATOM 242 CB GLN B 15 -1.857 0.234 -4.297 1.00 0.24 C ATOM 243 CG GLN B 15 -0.629 0.564 -3.457 1.00 0.25 C ATOM 244 CD GLN B 15 0.368 -0.588 -3.561 1.00 0.30 C ATOM 245 OE1 GLN B 15 0.088 -1.719 -2.974 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.407 -0.460 -4.178 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.457 -1.138 -3.283 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.836 1.686 -2.972 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.003 -0.845 -4.337 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.711 0.575 -5.322 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.172 1.490 -3.806 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.915 0.722 -2.417 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.623 0.426 -4.636 1.00 0.33 H new ATOM 0 HE22 GLN B 15 2.064 -1.238 -4.238 1.00 0.33 H new ATOM 255 N ALA B 16 -4.443 0.794 -5.691 1.00 0.35 N ATOM 256 CA ALA B 16 -5.270 1.386 -6.781 1.00 0.41 C ATOM 257 C ALA B 16 -6.532 2.007 -6.187 1.00 0.40 C ATOM 258 O ALA B 16 -7.074 2.956 -6.722 1.00 0.43 O ATOM 259 CB ALA B 16 -5.617 0.222 -7.708 1.00 0.48 C ATOM 0 H ALA B 16 -4.332 -0.219 -5.729 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.746 2.176 -7.320 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.226 0.585 -8.536 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.699 -0.218 -8.099 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.173 -0.533 -7.152 1.00 0.48 H new ATOM 265 N GLN B 17 -6.992 1.504 -5.071 1.00 0.40 N ATOM 266 CA GLN B 17 -8.200 2.106 -4.444 1.00 0.42 C ATOM 267 C GLN B 17 -7.771 3.381 -3.740 1.00 0.37 C ATOM 268 O GLN B 17 -8.451 4.389 -3.764 1.00 0.40 O ATOM 269 CB GLN B 17 -8.705 1.067 -3.443 1.00 0.45 C ATOM 270 CG GLN B 17 -9.756 0.177 -4.110 1.00 0.53 C ATOM 271 CD GLN B 17 -11.156 0.639 -3.701 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.388 1.817 -3.513 1.00 1.06 O ATOM 273 NE2 GLN B 17 -12.104 -0.244 -3.552 1.00 1.33 N ATOM 0 H GLN B 17 -6.587 0.711 -4.573 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.983 2.357 -5.159 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.874 0.459 -3.085 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.134 1.564 -2.573 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.650 0.222 -5.194 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.605 -0.862 -3.818 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.909 -1.233 -3.710 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -13.040 0.054 -3.278 1.00 1.33 H new ATOM 282 N TRP B 18 -6.618 3.342 -3.140 1.00 0.32 N ATOM 283 CA TRP B 18 -6.087 4.545 -2.455 1.00 0.30 C ATOM 284 C TRP B 18 -5.612 5.538 -3.510 1.00 0.31 C ATOM 285 O TRP B 18 -5.935 6.709 -3.481 1.00 0.35 O ATOM 286 CB TRP B 18 -4.886 4.045 -1.652 1.00 0.25 C ATOM 287 CG TRP B 18 -4.171 5.223 -1.075 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.330 5.722 0.169 1.00 0.30 C ATOM 289 CD2 TRP B 18 -3.186 6.057 -1.722 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.510 6.832 0.309 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.779 7.068 -0.831 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.615 6.024 -2.990 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.831 8.020 -1.199 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.668 6.964 -3.363 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.275 7.960 -2.480 1.00 0.38 C ATOM 0 H TRP B 18 -6.016 2.520 -3.095 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.829 5.034 -1.824 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.215 3.376 -0.857 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.215 3.472 -2.293 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.986 5.324 0.929 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.456 7.402 1.153 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.913 5.258 -3.691 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.531 8.792 -0.506 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.232 6.921 -4.350 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.539 8.690 -2.783 1.00 0.38 H new ATOM 306 N LYS B 19 -4.843 5.056 -4.438 1.00 0.30 N ATOM 307 CA LYS B 19 -4.315 5.928 -5.517 1.00 0.37 C ATOM 308 C LYS B 19 -5.486 6.525 -6.267 1.00 0.46 C ATOM 309 O LYS B 19 -5.447 7.652 -6.720 1.00 0.70 O ATOM 310 CB LYS B 19 -3.511 5.004 -6.436 1.00 0.40 C ATOM 311 CG LYS B 19 -2.159 4.667 -5.807 1.00 0.49 C ATOM 312 CD LYS B 19 -1.236 4.065 -6.871 1.00 0.96 C ATOM 313 CE LYS B 19 -1.255 2.539 -6.761 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.470 2.059 -7.933 1.00 1.92 N ATOM 0 H LYS B 19 -4.553 4.080 -4.496 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.697 6.743 -5.140 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.071 4.087 -6.620 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.359 5.485 -7.402 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.708 5.565 -5.385 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.293 3.962 -4.986 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.561 4.372 -7.865 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.220 4.437 -6.738 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -0.810 2.205 -5.824 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.275 2.154 -6.784 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.438 1.020 -7.927 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 -0.921 2.386 -8.811 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.498 2.436 -7.880 1.00 1.92 H new ATOM 328 N ALA B 20 -6.541 5.770 -6.391 1.00 0.44 N ATOM 329 CA ALA B 20 -7.729 6.291 -7.098 1.00 0.52 C ATOM 330 C ALA B 20 -8.259 7.524 -6.366 1.00 0.56 C ATOM 331 O ALA B 20 -8.855 8.402 -6.958 1.00 0.74 O ATOM 332 CB ALA B 20 -8.754 5.165 -7.056 1.00 0.55 C ATOM 0 H ALA B 20 -6.626 4.819 -6.033 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.505 6.588 -8.123 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.665 5.483 -7.564 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.348 4.285 -7.555 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.984 4.921 -6.019 1.00 0.55 H new ATOM 338 N ALA B 21 -8.039 7.591 -5.079 1.00 0.54 N ATOM 339 CA ALA B 21 -8.524 8.766 -4.304 1.00 0.66 C ATOM 340 C ALA B 21 -7.365 9.441 -3.583 1.00 0.73 C ATOM 341 O ALA B 21 -7.535 10.087 -2.567 1.00 0.99 O ATOM 342 CB ALA B 21 -9.537 8.204 -3.308 1.00 0.71 C ATOM 0 H ALA B 21 -7.546 6.884 -4.534 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.974 9.523 -4.946 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.938 9.015 -2.700 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.350 7.720 -3.850 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -9.047 7.475 -2.663 1.00 0.71 H new ATOM 348 N ASN B 22 -6.194 9.314 -4.126 1.00 0.73 N ATOM 349 CA ASN B 22 -5.001 9.967 -3.509 1.00 0.88 C ATOM 350 C ASN B 22 -3.924 10.252 -4.564 1.00 1.08 C ATOM 351 O ASN B 22 -2.761 9.973 -4.349 1.00 0.00 O ATOM 352 CB ASN B 22 -4.467 8.990 -2.470 1.00 0.93 C ATOM 353 CG ASN B 22 -5.486 8.829 -1.348 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.941 7.644 -1.081 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.870 9.789 -0.710 1.00 0.94 N flip ATOM 0 H ASN B 22 -6.004 8.784 -4.976 1.00 0.73 H new ATOM 0 HA ASN B 22 -5.273 10.923 -3.061 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.266 8.024 -2.934 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.522 9.353 -2.067 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -5.510 10.720 -0.922 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -6.552 9.664 0.038 1.00 0.94 H new ATOM 362 N PRO B 23 -4.339 10.839 -5.654 1.00 0.00 N ATOM 363 CA PRO B 23 -3.387 11.206 -6.716 1.00 0.00 C ATOM 364 C PRO B 23 -2.584 12.397 -6.199 1.00 0.00 C ATOM 365 O PRO B 23 -1.446 12.615 -6.568 1.00 0.00 O ATOM 366 CB PRO B 23 -4.279 11.584 -7.896 1.00 0.00 C ATOM 367 CG PRO B 23 -5.579 11.984 -7.280 1.00 0.00 C ATOM 368 CD PRO B 23 -5.706 11.222 -5.986 1.00 0.00 C ATOM 0 HA PRO B 23 -2.681 10.426 -7.003 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.846 12.402 -8.473 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.407 10.745 -8.580 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.606 13.059 -7.099 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.409 11.752 -7.947 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.147 11.839 -5.203 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.347 10.348 -6.101 1.00 0.00 H new ATOM 376 N LEU B 24 -3.181 13.146 -5.304 1.00 0.00 N ATOM 377 CA LEU B 24 -2.484 14.314 -4.696 1.00 0.00 C ATOM 378 C LEU B 24 -1.182 13.836 -4.051 1.00 0.00 C ATOM 379 O LEU B 24 -0.163 14.498 -4.091 1.00 0.00 O ATOM 380 CB LEU B 24 -3.475 14.857 -3.644 1.00 0.00 C ATOM 381 CG LEU B 24 -3.269 14.182 -2.266 1.00 0.00 C ATOM 382 CD1 LEU B 24 -4.009 14.989 -1.197 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.817 12.741 -2.277 1.00 0.00 C ATOM 0 H LEU B 24 -4.132 12.993 -4.968 1.00 0.00 H new ATOM 0 HA LEU B 24 -2.216 15.086 -5.417 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -3.347 15.935 -3.545 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -4.497 14.687 -3.984 1.00 0.00 H new ATOM 0 HG LEU B 24 -2.202 14.150 -2.048 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -3.868 14.519 -0.224 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -3.615 16.005 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -5.072 15.019 -1.435 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -3.662 12.285 -1.299 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.883 12.759 -2.504 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -3.294 12.159 -3.036 1.00 0.00 H new ATOM 395 N LEU B 25 -1.217 12.655 -3.503 1.00 0.00 N ATOM 396 CA LEU B 25 -0.002 12.056 -2.895 1.00 0.00 C ATOM 397 C LEU B 25 0.586 11.142 -3.949 1.00 0.00 C ATOM 398 O LEU B 25 1.057 10.054 -3.686 1.00 0.00 O ATOM 399 CB LEU B 25 -0.516 11.254 -1.699 1.00 0.00 C ATOM 400 CG LEU B 25 -0.461 12.119 -0.440 1.00 0.00 C ATOM 401 CD1 LEU B 25 -1.601 11.724 0.501 1.00 0.00 C ATOM 402 CD2 LEU B 25 0.879 11.904 0.268 1.00 0.00 C ATOM 0 H LEU B 25 -2.052 12.071 -3.451 1.00 0.00 H new ATOM 0 HA LEU B 25 0.755 12.772 -2.575 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.539 10.925 -1.882 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.088 10.357 -1.563 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.564 13.168 -0.716 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -1.562 12.341 1.399 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -2.556 11.875 -0.002 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -1.498 10.675 0.777 1.00 0.00 H new ATOM 0 HD21 LEU B 25 0.919 12.521 1.166 1.00 0.00 H new ATOM 0 HD22 LEU B 25 0.981 10.854 0.544 1.00 0.00 H new ATOM 0 HD23 LEU B 25 1.693 12.184 -0.401 1.00 0.00 H new ATOM 414 N VAL B 26 0.488 11.588 -5.162 1.00 0.00 N ATOM 415 CA VAL B 26 0.951 10.796 -6.314 1.00 0.00 C ATOM 416 C VAL B 26 1.313 11.766 -7.452 1.00 0.00 C ATOM 417 O VAL B 26 1.268 12.963 -7.270 1.00 0.00 O ATOM 418 CB VAL B 26 -0.294 9.924 -6.608 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.550 9.782 -8.110 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.097 8.538 -5.987 1.00 0.00 C ATOM 0 H VAL B 26 0.094 12.497 -5.405 1.00 0.00 H new ATOM 0 HA VAL B 26 1.842 10.186 -6.165 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.162 10.417 -6.170 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.432 9.163 -8.272 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.713 10.768 -8.546 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.313 9.314 -8.584 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.971 7.920 -6.191 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.788 8.069 -6.418 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.033 8.637 -4.909 1.00 0.00 H new ATOM 430 N GLY B 27 1.687 11.268 -8.607 1.00 0.00 N ATOM 431 CA GLY B 27 2.064 12.169 -9.751 1.00 0.00 C ATOM 432 C GLY B 27 1.268 13.484 -9.709 1.00 0.00 C ATOM 433 O GLY B 27 1.814 14.553 -9.902 1.00 0.00 O ATOM 0 H GLY B 27 1.749 10.270 -8.811 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.131 12.386 -9.710 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.878 11.658 -10.696 1.00 0.00 H new ATOM 437 N VAL B 28 -0.013 13.415 -9.455 1.00 0.00 N ATOM 438 CA VAL B 28 -0.836 14.662 -9.398 1.00 0.00 C ATOM 439 C VAL B 28 -0.408 15.526 -8.209 1.00 0.00 C ATOM 440 O VAL B 28 0.176 15.048 -7.259 1.00 0.00 O ATOM 441 CB VAL B 28 -2.280 14.181 -9.230 1.00 0.00 C ATOM 442 CG1 VAL B 28 -3.191 15.371 -8.915 1.00 0.00 C ATOM 443 CG2 VAL B 28 -2.743 13.518 -10.531 1.00 0.00 C ATOM 0 H VAL B 28 -0.526 12.550 -9.284 1.00 0.00 H new ATOM 0 HA VAL B 28 -0.717 15.276 -10.291 1.00 0.00 H new ATOM 0 HB VAL B 28 -2.330 13.464 -8.410 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -4.217 15.022 -8.797 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -2.861 15.848 -7.992 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -3.144 16.091 -9.732 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -3.771 13.173 -10.418 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -2.690 14.240 -11.346 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -2.098 12.669 -10.756 1.00 0.00 H new ATOM 453 N SER B 29 -0.692 16.801 -8.257 1.00 0.00 N ATOM 454 CA SER B 29 -0.296 17.698 -7.132 1.00 0.00 C ATOM 455 C SER B 29 1.203 17.576 -6.871 1.00 0.00 C ATOM 456 O SER B 29 1.955 17.108 -7.704 1.00 0.00 O ATOM 457 CB SER B 29 -1.093 17.207 -5.923 1.00 0.00 C ATOM 458 OG SER B 29 -1.018 18.176 -4.885 1.00 0.00 O ATOM 0 H SER B 29 -1.181 17.260 -9.026 1.00 0.00 H new ATOM 0 HA SER B 29 -0.500 18.746 -7.349 1.00 0.00 H new ATOM 0 HB2 SER B 29 -2.133 17.037 -6.203 1.00 0.00 H new ATOM 0 HB3 SER B 29 -0.697 16.253 -5.575 1.00 0.00 H new ATOM 0 HG SER B 29 -1.530 17.865 -4.109 1.00 0.00 H new ATOM 464 N ALA B 30 1.641 17.992 -5.719 1.00 0.00 N ATOM 465 CA ALA B 30 3.095 17.906 -5.385 1.00 0.00 C ATOM 466 C ALA B 30 3.913 18.742 -6.372 1.00 0.00 C ATOM 467 O ALA B 30 4.946 18.321 -6.854 1.00 0.00 O ATOM 468 CB ALA B 30 3.454 16.417 -5.494 1.00 0.00 C ATOM 0 H ALA B 30 1.054 18.391 -4.987 1.00 0.00 H new ATOM 0 HA ALA B 30 3.312 18.294 -4.390 1.00 0.00 H new ATOM 0 HB1 ALA B 30 4.510 16.279 -5.261 1.00 0.00 H new ATOM 0 HB2 ALA B 30 2.850 15.845 -4.790 1.00 0.00 H new ATOM 0 HB3 ALA B 30 3.258 16.069 -6.508 1.00 0.00 H new ATOM 474 N LYS B 31 3.455 19.931 -6.662 1.00 0.00 N ATOM 475 CA LYS B 31 4.191 20.827 -7.610 1.00 0.00 C ATOM 476 C LYS B 31 3.441 22.159 -7.769 1.00 0.00 C ATOM 477 O LYS B 31 2.982 22.484 -8.847 1.00 0.00 O ATOM 478 CB LYS B 31 4.230 20.077 -8.948 1.00 0.00 C ATOM 479 CG LYS B 31 2.802 19.747 -9.398 1.00 0.00 C ATOM 480 CD LYS B 31 2.518 20.418 -10.745 1.00 0.00 C ATOM 481 CE LYS B 31 2.761 19.419 -11.880 1.00 0.00 C ATOM 482 NZ LYS B 31 1.408 19.123 -12.428 1.00 0.00 N ATOM 0 H LYS B 31 2.595 20.326 -6.281 1.00 0.00 H new ATOM 0 HA LYS B 31 5.193 21.059 -7.250 1.00 0.00 H new ATOM 0 HB2 LYS B 31 4.728 20.686 -9.703 1.00 0.00 H new ATOM 0 HB3 LYS B 31 4.810 19.160 -8.845 1.00 0.00 H new ATOM 0 HG2 LYS B 31 2.678 18.668 -9.485 1.00 0.00 H new ATOM 0 HG3 LYS B 31 2.086 20.091 -8.651 1.00 0.00 H new ATOM 0 HD2 LYS B 31 1.488 20.774 -10.775 1.00 0.00 H new ATOM 0 HD3 LYS B 31 3.160 21.290 -10.871 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.413 19.841 -12.645 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.245 18.514 -11.513 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.492 18.444 -13.211 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 0.812 18.716 -11.679 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 0.975 20.002 -12.776 1.00 0.00 H new ATOM 496 N PRO B 32 3.331 22.884 -6.684 1.00 0.00 N ATOM 497 CA PRO B 32 2.622 24.181 -6.703 1.00 0.00 C ATOM 498 C PRO B 32 3.570 25.323 -7.093 1.00 0.00 C ATOM 499 O PRO B 32 4.337 25.805 -6.282 1.00 0.00 O ATOM 500 CB PRO B 32 2.157 24.341 -5.260 1.00 0.00 C ATOM 501 CG PRO B 32 3.108 23.522 -4.431 1.00 0.00 C ATOM 502 CD PRO B 32 3.844 22.572 -5.348 1.00 0.00 C ATOM 0 HA PRO B 32 1.808 24.210 -7.427 1.00 0.00 H new ATOM 0 HB2 PRO B 32 2.175 25.388 -4.957 1.00 0.00 H new ATOM 0 HB3 PRO B 32 1.132 23.992 -5.138 1.00 0.00 H new ATOM 0 HG2 PRO B 32 3.813 24.171 -3.912 1.00 0.00 H new ATOM 0 HG3 PRO B 32 2.564 22.967 -3.667 1.00 0.00 H new ATOM 0 HD2 PRO B 32 4.922 22.721 -5.292 1.00 0.00 H new ATOM 0 HD3 PRO B 32 3.651 21.533 -5.081 1.00 0.00 H new ATOM 510 N VAL B 33 3.515 25.765 -8.324 1.00 0.00 N ATOM 511 CA VAL B 33 4.404 26.883 -8.764 1.00 0.00 C ATOM 512 C VAL B 33 4.061 27.303 -10.198 1.00 0.00 C ATOM 513 O VAL B 33 4.925 27.668 -10.971 1.00 0.00 O ATOM 514 CB VAL B 33 5.829 26.325 -8.690 1.00 0.00 C ATOM 515 CG1 VAL B 33 5.979 25.154 -9.663 1.00 0.00 C ATOM 516 CG2 VAL B 33 6.825 27.426 -9.059 1.00 0.00 C ATOM 0 H VAL B 33 2.892 25.399 -9.044 1.00 0.00 H new ATOM 0 HA VAL B 33 4.286 27.768 -8.138 1.00 0.00 H new ATOM 0 HB VAL B 33 6.027 25.976 -7.676 1.00 0.00 H new ATOM 0 HG11 VAL B 33 6.994 24.761 -9.606 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.271 24.369 -9.399 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.779 25.497 -10.678 1.00 0.00 H new ATOM 0 HG21 VAL B 33 7.840 27.031 -9.007 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.623 27.775 -10.072 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.723 28.257 -8.362 1.00 0.00 H new ATOM 526 N ASN B 34 2.806 27.253 -10.559 1.00 0.00 N ATOM 527 CA ASN B 34 2.411 27.649 -11.942 1.00 0.00 C ATOM 528 C ASN B 34 1.738 29.024 -11.931 1.00 0.00 C ATOM 529 O ASN B 34 0.635 29.189 -12.415 1.00 0.00 O ATOM 530 CB ASN B 34 1.427 26.571 -12.397 1.00 0.00 C ATOM 531 CG ASN B 34 1.386 26.531 -13.927 1.00 0.00 C ATOM 532 OD1 ASN B 34 1.469 27.556 -14.575 1.00 0.00 O ATOM 533 ND2 ASN B 34 1.263 25.383 -14.535 1.00 0.00 N ATOM 0 H ASN B 34 2.038 26.955 -9.957 1.00 0.00 H new ATOM 0 HA ASN B 34 3.269 27.725 -12.610 1.00 0.00 H new ATOM 0 HB2 ASN B 34 1.728 25.600 -12.005 1.00 0.00 H new ATOM 0 HB3 ASN B 34 0.433 26.780 -12.001 1.00 0.00 H new ATOM 0 HD21 ASN B 34 1.237 25.346 -15.554 1.00 0.00 H new ATOM 0 HD22 ASN B 34 1.193 24.523 -13.991 1.00 0.00 H new ATOM 540 N ARG B 35 2.395 30.011 -11.384 1.00 0.00 N ATOM 541 CA ARG B 35 1.796 31.379 -11.342 1.00 0.00 C ATOM 542 C ARG B 35 2.884 32.428 -11.071 1.00 0.00 C ATOM 543 O ARG B 35 2.821 33.145 -10.093 1.00 0.00 O ATOM 544 CB ARG B 35 0.761 31.363 -10.204 1.00 0.00 C ATOM 545 CG ARG B 35 1.179 30.397 -9.084 1.00 0.00 C ATOM 546 CD ARG B 35 2.423 30.929 -8.368 1.00 0.00 C ATOM 547 NE ARG B 35 2.024 32.266 -7.835 1.00 0.00 N ATOM 548 CZ ARG B 35 1.225 32.366 -6.799 1.00 0.00 C ATOM 549 NH1 ARG B 35 0.758 31.296 -6.205 1.00 0.00 N ATOM 550 NH2 ARG B 35 0.893 33.547 -6.354 1.00 0.00 N ATOM 0 H ARG B 35 3.321 29.931 -10.964 1.00 0.00 H new ATOM 0 HA ARG B 35 1.329 31.639 -12.292 1.00 0.00 H new ATOM 0 HB2 ARG B 35 0.649 32.368 -9.797 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -0.212 31.068 -10.598 1.00 0.00 H new ATOM 0 HG2 ARG B 35 0.363 30.279 -8.372 1.00 0.00 H new ATOM 0 HG3 ARG B 35 1.384 29.411 -9.501 1.00 0.00 H new ATOM 0 HD2 ARG B 35 2.731 30.260 -7.564 1.00 0.00 H new ATOM 0 HD3 ARG B 35 3.266 31.014 -9.053 1.00 0.00 H new ATOM 0 HE ARG B 35 2.377 33.112 -8.282 1.00 0.00 H new ATOM 0 HH11 ARG B 35 1.015 30.370 -6.547 1.00 0.00 H new ATOM 0 HH12 ARG B 35 0.138 31.389 -5.401 1.00 0.00 H new ATOM 0 HH21 ARG B 35 1.254 34.384 -6.811 1.00 0.00 H new ATOM 0 HH22 ARG B 35 0.272 33.633 -5.549 1.00 0.00 H new ATOM 564 N PRO B 36 3.848 32.484 -11.955 1.00 0.00 N ATOM 565 CA PRO B 36 4.957 33.458 -11.805 1.00 0.00 C ATOM 566 C PRO B 36 4.472 34.874 -12.129 1.00 0.00 C ATOM 567 O PRO B 36 4.866 35.790 -11.425 1.00 0.00 O ATOM 568 CB PRO B 36 5.986 32.990 -12.829 1.00 0.00 C ATOM 569 CG PRO B 36 5.200 32.240 -13.858 1.00 0.00 C ATOM 570 CD PRO B 36 3.998 31.658 -13.161 1.00 0.00 C ATOM 571 OXT PRO B 36 3.714 35.018 -13.074 1.00 0.00 O ATOM 0 HA PRO B 36 5.358 33.498 -10.792 1.00 0.00 H new ATOM 0 HB2 PRO B 36 6.512 33.835 -13.274 1.00 0.00 H new ATOM 0 HB3 PRO B 36 6.740 32.352 -12.367 1.00 0.00 H new ATOM 0 HG2 PRO B 36 4.893 32.903 -14.666 1.00 0.00 H new ATOM 0 HG3 PRO B 36 5.805 31.451 -14.305 1.00 0.00 H new ATOM 0 HD2 PRO B 36 3.110 31.707 -13.791 1.00 0.00 H new ATOM 0 HD3 PRO B 36 4.153 30.609 -12.909 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 11.902 -18.337 -0.451 1.00 1.31 P ATOM 581 OP1 G A 1 12.525 -18.100 -1.777 1.00 1.51 O ATOM 582 OP2 G A 1 12.355 -19.484 0.378 1.00 1.52 O ATOM 583 O5' G A 1 12.050 -17.007 0.411 1.00 1.09 O ATOM 584 C5' G A 1 12.188 -17.066 1.844 1.00 1.03 C ATOM 585 C4' G A 1 11.035 -17.832 2.448 1.00 0.94 C ATOM 586 O4' G A 1 11.249 -17.935 3.876 1.00 1.02 O ATOM 587 C3' G A 1 9.682 -17.150 2.319 1.00 0.80 C ATOM 588 O3' G A 1 9.064 -17.501 1.086 1.00 0.75 O ATOM 589 C2' G A 1 8.903 -17.711 3.505 1.00 0.78 C ATOM 590 O2' G A 1 8.277 -18.947 3.214 1.00 0.77 O ATOM 591 C1' G A 1 10.003 -17.913 4.547 1.00 0.90 C ATOM 592 N9 G A 1 10.019 -16.819 5.508 1.00 0.90 N ATOM 593 C8 G A 1 10.806 -15.695 5.477 1.00 0.97 C ATOM 594 N7 G A 1 10.565 -14.876 6.464 1.00 0.99 N ATOM 595 C5 G A 1 9.560 -15.501 7.188 1.00 0.90 C ATOM 596 C6 G A 1 8.891 -15.092 8.362 1.00 0.88 C ATOM 597 O6 G A 1 9.059 -14.061 9.015 1.00 0.94 O ATOM 598 N1 G A 1 7.938 -16.024 8.768 1.00 0.82 N ATOM 599 C2 G A 1 7.671 -17.203 8.114 1.00 0.81 C ATOM 600 N2 G A 1 6.716 -17.978 8.654 1.00 0.83 N ATOM 601 N3 G A 1 8.290 -17.596 7.016 1.00 0.83 N ATOM 602 C4 G A 1 9.216 -16.703 6.613 1.00 0.86 C ATOM 0 H5' G A 1 12.219 -16.057 2.255 1.00 1.03 H new ATOM 0 H5'' G A 1 13.131 -17.546 2.106 1.00 1.03 H new ATOM 0 H4' G A 1 11.012 -18.780 1.910 1.00 0.94 H new ATOM 0 H3' G A 1 9.738 -16.061 2.323 1.00 0.80 H new ATOM 0 H2' G A 1 8.091 -17.054 3.815 1.00 0.78 H new ATOM 0 HO2' G A 1 8.333 -19.124 2.252 1.00 0.77 H new ATOM 0 H1' G A 1 9.818 -18.846 5.080 1.00 0.90 H new ATOM 0 H8 G A 1 11.548 -15.508 4.715 1.00 0.97 H new ATOM 0 H1 G A 1 7.401 -15.817 9.610 1.00 0.82 H new ATOM 0 H21 G A 1 6.471 -18.866 8.216 1.00 0.83 H new ATOM 0 H22 G A 1 6.235 -17.679 9.502 1.00 0.83 H new ATOM 614 P C A 2 7.845 -16.617 0.526 1.00 0.69 P ATOM 615 OP1 C A 2 7.285 -17.295 -0.670 1.00 0.84 O ATOM 616 OP2 C A 2 8.325 -15.216 0.417 1.00 0.82 O ATOM 617 O5' C A 2 6.763 -16.679 1.692 1.00 0.58 O ATOM 618 C5' C A 2 5.839 -17.778 1.782 1.00 0.57 C ATOM 619 C4' C A 2 4.633 -17.377 2.596 1.00 0.55 C ATOM 620 O4' C A 2 5.046 -17.155 3.965 1.00 0.54 O ATOM 621 C3' C A 2 4.020 -16.048 2.196 1.00 0.51 C ATOM 622 O3' C A 2 3.103 -16.220 1.119 1.00 0.59 O ATOM 623 C2' C A 2 3.294 -15.619 3.467 1.00 0.53 C ATOM 624 O2' C A 2 1.986 -16.153 3.557 1.00 0.67 O ATOM 625 C1' C A 2 4.177 -16.214 4.568 1.00 0.51 C ATOM 626 N1 C A 2 4.992 -15.204 5.257 1.00 0.45 N ATOM 627 C2 C A 2 4.557 -14.741 6.497 1.00 0.44 C ATOM 628 O2 C A 2 3.506 -15.199 6.967 1.00 0.49 O ATOM 629 N3 C A 2 5.287 -13.811 7.152 1.00 0.43 N ATOM 630 C4 C A 2 6.413 -13.347 6.609 1.00 0.45 C ATOM 631 N4 C A 2 7.101 -12.429 7.292 1.00 0.49 N ATOM 632 C5 C A 2 6.883 -13.803 5.342 1.00 0.47 C ATOM 633 C6 C A 2 6.148 -14.725 4.704 1.00 0.46 C ATOM 0 H5' C A 2 6.328 -18.637 2.241 1.00 0.57 H new ATOM 0 H5'' C A 2 5.528 -18.084 0.783 1.00 0.57 H new ATOM 0 H4' C A 2 3.915 -18.183 2.445 1.00 0.55 H new ATOM 0 H3' C A 2 4.750 -15.318 1.848 1.00 0.51 H new ATOM 0 H2' C A 2 3.161 -14.538 3.519 1.00 0.53 H new ATOM 0 HO2' C A 2 1.443 -15.817 2.813 1.00 0.67 H new ATOM 0 H1' C A 2 3.524 -16.668 5.314 1.00 0.51 H new ATOM 0 H41 C A 2 7.967 -12.051 6.908 1.00 0.49 H new ATOM 0 H42 C A 2 6.760 -12.106 8.198 1.00 0.49 H new ATOM 0 H5 C A 2 7.797 -13.420 4.913 1.00 0.47 H new ATOM 0 H6 C A 2 6.472 -15.094 3.742 1.00 0.46 H new ATOM 645 P C A 3 2.221 -14.973 0.618 1.00 0.67 P ATOM 646 OP1 C A 3 1.488 -15.407 -0.598 1.00 1.00 O ATOM 647 OP2 C A 3 3.098 -13.776 0.558 1.00 1.20 O ATOM 648 O5' C A 3 1.160 -14.758 1.786 1.00 0.89 O ATOM 649 C5' C A 3 0.846 -13.438 2.268 1.00 0.68 C ATOM 650 C4' C A 3 0.467 -13.495 3.729 1.00 0.61 C ATOM 651 O4' C A 3 1.676 -13.593 4.519 1.00 0.67 O ATOM 652 C3' C A 3 -0.224 -12.245 4.241 1.00 0.56 C ATOM 653 O3' C A 3 -1.631 -12.340 4.048 1.00 0.57 O ATOM 654 C2' C A 3 0.132 -12.231 5.723 1.00 0.57 C ATOM 655 O2' C A 3 -0.764 -12.995 6.507 1.00 0.64 O ATOM 656 C1' C A 3 1.519 -12.878 5.732 1.00 0.62 C ATOM 657 N1 C A 3 2.600 -11.884 5.802 1.00 0.61 N ATOM 658 C2 C A 3 2.746 -11.117 6.963 1.00 0.56 C ATOM 659 O2 C A 3 1.963 -11.301 7.907 1.00 0.55 O ATOM 660 N3 C A 3 3.734 -10.197 7.025 1.00 0.58 N ATOM 661 C4 C A 3 4.555 -10.030 5.987 1.00 0.65 C ATOM 662 N4 C A 3 5.516 -9.114 6.091 1.00 0.71 N ATOM 663 C5 C A 3 4.429 -10.799 4.796 1.00 0.71 C ATOM 664 C6 C A 3 3.447 -11.705 4.745 1.00 0.68 C ATOM 0 H5' C A 3 0.025 -13.016 1.688 1.00 0.68 H new ATOM 0 H5'' C A 3 1.704 -12.779 2.132 1.00 0.68 H new ATOM 0 H4' C A 3 -0.209 -14.346 3.819 1.00 0.61 H new ATOM 0 H3' C A 3 0.085 -11.336 3.726 1.00 0.56 H new ATOM 0 H2' C A 3 0.091 -11.228 6.148 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.603 -13.121 6.016 1.00 0.64 H new ATOM 0 H1' C A 3 1.584 -13.519 6.611 1.00 0.62 H new ATOM 0 H41 C A 3 6.161 -8.961 5.316 1.00 0.71 H new ATOM 0 H42 C A 3 5.607 -8.565 6.946 1.00 0.71 H new ATOM 0 H5 C A 3 5.102 -10.656 3.964 1.00 0.71 H new ATOM 0 H6 C A 3 3.321 -12.304 3.855 1.00 0.68 H new ATOM 676 P C A 4 -2.444 -11.068 3.503 1.00 0.57 P ATOM 677 OP1 C A 4 -3.841 -11.491 3.230 1.00 0.73 O ATOM 678 OP2 C A 4 -1.636 -10.461 2.415 1.00 0.60 O ATOM 679 O5' C A 4 -2.460 -10.072 4.747 1.00 0.61 O ATOM 680 C5' C A 4 -3.255 -10.372 5.908 1.00 0.51 C ATOM 681 C4' C A 4 -2.984 -9.375 7.010 1.00 0.47 C ATOM 682 O4' C A 4 -1.616 -9.518 7.462 1.00 0.55 O ATOM 683 C3' C A 4 -3.061 -7.918 6.597 1.00 0.45 C ATOM 684 O3' C A 4 -4.424 -7.481 6.563 1.00 0.51 O ATOM 685 C2' C A 4 -2.225 -7.223 7.670 1.00 0.47 C ATOM 686 O2' C A 4 -2.952 -6.882 8.835 1.00 0.57 O ATOM 687 C1' C A 4 -1.177 -8.288 8.012 1.00 0.48 C ATOM 688 N1 C A 4 0.145 -7.974 7.453 1.00 0.43 N ATOM 689 C2 C A 4 0.899 -6.964 8.055 1.00 0.39 C ATOM 690 O2 C A 4 0.431 -6.369 9.036 1.00 0.43 O ATOM 691 N3 C A 4 2.115 -6.663 7.553 1.00 0.38 N ATOM 692 C4 C A 4 2.582 -7.328 6.495 1.00 0.45 C ATOM 693 N4 C A 4 3.781 -6.997 6.032 1.00 0.51 N ATOM 694 C5 C A 4 1.835 -8.360 5.864 1.00 0.51 C ATOM 695 C6 C A 4 0.633 -8.649 6.369 1.00 0.48 C ATOM 0 H5' C A 4 -3.031 -11.379 6.258 1.00 0.51 H new ATOM 0 H5'' C A 4 -4.313 -10.354 5.646 1.00 0.51 H new ATOM 0 H4' C A 4 -3.753 -9.592 7.752 1.00 0.47 H new ATOM 0 H3' C A 4 -2.688 -7.707 5.595 1.00 0.45 H new ATOM 0 H2' C A 4 -1.830 -6.273 7.310 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.439 -7.668 9.159 1.00 0.57 H new ATOM 0 H1' C A 4 -1.075 -8.332 9.096 1.00 0.48 H new ATOM 0 H41 C A 4 4.168 -7.485 5.225 1.00 0.51 H new ATOM 0 H42 C A 4 4.315 -6.254 6.484 1.00 0.51 H new ATOM 0 H5 C A 4 2.225 -8.891 5.008 1.00 0.51 H new ATOM 0 H6 C A 4 0.038 -9.427 5.914 1.00 0.48 H new ATOM 707 P U A 5 -5.264 -7.325 7.925 1.00 0.57 P ATOM 708 OP1 U A 5 -4.632 -8.180 8.962 1.00 0.62 O ATOM 709 OP2 U A 5 -6.702 -7.508 7.604 1.00 0.77 O ATOM 710 O5' U A 5 -5.038 -5.797 8.310 1.00 0.49 O ATOM 711 C5' U A 5 -4.297 -4.928 7.433 1.00 0.45 C ATOM 712 C4' U A 5 -3.579 -3.870 8.233 1.00 0.41 C ATOM 713 O4' U A 5 -2.244 -4.355 8.499 1.00 0.47 O ATOM 714 C3' U A 5 -3.334 -2.556 7.510 1.00 0.35 C ATOM 715 O3' U A 5 -4.452 -1.679 7.637 1.00 0.36 O ATOM 716 C2' U A 5 -2.132 -1.990 8.253 1.00 0.41 C ATOM 717 O2' U A 5 -2.496 -1.240 9.397 1.00 0.50 O ATOM 718 C1' U A 5 -1.379 -3.253 8.670 1.00 0.43 C ATOM 719 N1 U A 5 -0.178 -3.467 7.855 1.00 0.43 N ATOM 720 C2 U A 5 0.861 -2.591 8.047 1.00 0.40 C ATOM 721 O2 U A 5 0.805 -1.674 8.851 1.00 0.39 O ATOM 722 N3 U A 5 1.965 -2.824 7.269 1.00 0.43 N ATOM 723 C4 U A 5 2.130 -3.818 6.336 1.00 0.50 C ATOM 724 O4 U A 5 3.192 -3.889 5.713 1.00 0.54 O ATOM 725 C5 U A 5 1.005 -4.689 6.192 1.00 0.55 C ATOM 726 C6 U A 5 -0.090 -4.491 6.939 1.00 0.51 C ATOM 0 H5' U A 5 -4.973 -4.458 6.719 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.577 -5.509 6.856 1.00 0.45 H new ATOM 0 H4' U A 5 -4.219 -3.689 9.097 1.00 0.41 H new ATOM 0 H3' U A 5 -3.176 -2.680 6.439 1.00 0.35 H new ATOM 0 H2' U A 5 -1.557 -1.297 7.638 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.458 -1.054 9.374 1.00 0.50 H new ATOM 0 H1' U A 5 -1.065 -3.143 9.708 1.00 0.43 H new ATOM 0 H3 U A 5 2.752 -2.188 7.397 1.00 0.43 H new ATOM 0 H5 U A 5 1.038 -5.504 5.484 1.00 0.55 H new ATOM 0 H6 U A 5 -0.932 -5.157 6.818 1.00 0.51 H new ATOM 737 P G A 6 -4.816 -0.674 6.436 1.00 0.43 P ATOM 738 OP1 G A 6 -6.293 -0.632 6.301 1.00 0.65 O ATOM 739 OP2 G A 6 -3.987 -1.069 5.270 1.00 0.54 O ATOM 740 O5' G A 6 -4.327 0.758 6.944 1.00 0.43 O ATOM 741 C5' G A 6 -2.975 0.975 7.404 1.00 0.47 C ATOM 742 C4' G A 6 -2.200 1.790 6.393 1.00 0.47 C ATOM 743 O4' G A 6 -0.801 1.416 6.460 1.00 0.53 O ATOM 744 C3' G A 6 -2.580 1.515 4.952 1.00 0.39 C ATOM 745 O3' G A 6 -3.683 2.334 4.573 1.00 0.41 O ATOM 746 C2' G A 6 -1.319 1.901 4.186 1.00 0.48 C ATOM 747 O2' G A 6 -1.275 3.276 3.853 1.00 0.59 O ATOM 748 C1' G A 6 -0.206 1.560 5.180 1.00 0.49 C ATOM 749 N9 G A 6 0.480 0.313 4.856 1.00 0.50 N ATOM 750 C8 G A 6 -0.020 -0.955 5.002 1.00 0.60 C ATOM 751 N7 G A 6 0.826 -1.884 4.647 1.00 0.63 N ATOM 752 C5 G A 6 1.953 -1.186 4.235 1.00 0.54 C ATOM 753 C6 G A 6 3.197 -1.658 3.736 1.00 0.55 C ATOM 754 O6 G A 6 3.561 -2.826 3.560 1.00 0.61 O ATOM 755 N1 G A 6 4.062 -0.612 3.431 1.00 0.55 N ATOM 756 C2 G A 6 3.767 0.720 3.588 1.00 0.57 C ATOM 757 N2 G A 6 4.734 1.585 3.236 1.00 0.70 N ATOM 758 N3 G A 6 2.610 1.174 4.053 1.00 0.53 N ATOM 759 C4 G A 6 1.757 0.172 4.355 1.00 0.49 C ATOM 0 H5' G A 6 -2.480 0.017 7.565 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.989 1.492 8.364 1.00 0.47 H new ATOM 0 H4' G A 6 -2.414 2.829 6.644 1.00 0.47 H new ATOM 0 H3' G A 6 -2.889 0.487 4.766 1.00 0.39 H new ATOM 0 H2' G A 6 -1.247 1.384 3.229 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.368 3.515 3.568 1.00 0.59 H new ATOM 0 H1' G A 6 0.533 2.361 5.146 1.00 0.49 H new ATOM 0 H8 G A 6 -1.013 -1.164 5.373 1.00 0.60 H new ATOM 0 H1 G A 6 4.983 -0.852 3.064 1.00 0.55 H new ATOM 0 H21 G A 6 4.579 2.589 3.328 1.00 0.70 H new ATOM 0 H22 G A 6 5.623 1.237 2.877 1.00 0.70 H new ATOM 771 P A A 7 -4.492 2.005 3.226 1.00 0.43 P ATOM 772 OP1 A A 7 -5.116 3.271 2.761 1.00 0.74 O ATOM 773 OP2 A A 7 -5.344 0.814 3.471 1.00 0.66 O ATOM 774 O5' A A 7 -3.352 1.603 2.189 1.00 0.33 O ATOM 775 C5' A A 7 -3.675 1.281 0.827 1.00 0.29 C ATOM 776 C4' A A 7 -2.681 1.923 -0.109 1.00 0.23 C ATOM 777 O4' A A 7 -2.823 3.358 -0.044 1.00 0.23 O ATOM 778 C3' A A 7 -1.226 1.706 0.257 1.00 0.25 C ATOM 779 O3' A A 7 -0.780 0.454 -0.239 1.00 0.27 O ATOM 780 C2' A A 7 -0.528 2.866 -0.446 1.00 0.24 C ATOM 781 O2' A A 7 -0.190 2.577 -1.789 1.00 0.25 O ATOM 782 C1' A A 7 -1.594 3.958 -0.400 1.00 0.21 C ATOM 783 N9 A A 7 -1.277 4.996 0.581 1.00 0.24 N ATOM 784 C8 A A 7 -1.892 5.249 1.781 1.00 0.29 C ATOM 785 N7 A A 7 -1.363 6.252 2.443 1.00 0.33 N ATOM 786 C5 A A 7 -0.333 6.686 1.621 1.00 0.30 C ATOM 787 C6 A A 7 0.613 7.719 1.752 1.00 0.34 C ATOM 788 N6 A A 7 0.675 8.537 2.804 1.00 0.39 N ATOM 789 N1 A A 7 1.504 7.884 0.749 1.00 0.35 N ATOM 790 C2 A A 7 1.442 7.061 -0.306 1.00 0.32 C ATOM 791 N3 A A 7 0.602 6.058 -0.542 1.00 0.27 N ATOM 792 C4 A A 7 -0.269 5.923 0.472 1.00 0.25 C ATOM 0 H5' A A 7 -4.682 1.626 0.593 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.669 0.200 0.690 1.00 0.29 H new ATOM 0 H4' A A 7 -2.897 1.469 -1.076 1.00 0.23 H new ATOM 0 H3' A A 7 -1.034 1.685 1.330 1.00 0.25 H new ATOM 0 H2' A A 7 0.419 3.124 0.028 1.00 0.24 H new ATOM 0 HO2' A A 7 0.785 2.585 -1.890 1.00 0.25 H new ATOM 0 H1' A A 7 -1.644 4.431 -1.381 1.00 0.21 H new ATOM 0 H8 A A 7 -2.732 4.677 2.147 1.00 0.29 H new ATOM 0 H61 A A 7 1.385 9.268 2.840 1.00 0.39 H new ATOM 0 H62 A A 7 0.012 8.431 3.572 1.00 0.39 H new ATOM 0 H2 A A 7 2.180 7.237 -1.075 1.00 0.32 H new ATOM 804 P A A 8 0.076 -0.516 0.708 1.00 0.37 P ATOM 805 OP1 A A 8 -0.267 -1.907 0.331 1.00 0.47 O ATOM 806 OP2 A A 8 -0.094 -0.073 2.113 1.00 0.44 O ATOM 807 O5' A A 8 1.578 -0.227 0.270 1.00 0.38 O ATOM 808 C5' A A 8 1.878 0.208 -1.067 1.00 0.39 C ATOM 809 C4' A A 8 2.870 1.344 -1.037 1.00 0.43 C ATOM 810 O4' A A 8 2.224 2.515 -0.482 1.00 0.37 O ATOM 811 C3' A A 8 4.050 1.118 -0.115 1.00 0.53 C ATOM 812 O3' A A 8 5.083 0.366 -0.761 1.00 0.66 O ATOM 813 C2' A A 8 4.507 2.540 0.193 1.00 0.50 C ATOM 814 O2' A A 8 5.349 3.075 -0.808 1.00 0.58 O ATOM 815 C1' A A 8 3.180 3.302 0.208 1.00 0.38 C ATOM 816 N9 A A 8 2.683 3.526 1.563 1.00 0.36 N ATOM 817 C8 A A 8 1.658 2.871 2.195 1.00 0.42 C ATOM 818 N7 A A 8 1.436 3.293 3.415 1.00 0.47 N ATOM 819 C5 A A 8 2.381 4.292 3.601 1.00 0.41 C ATOM 820 C6 A A 8 2.672 5.129 4.693 1.00 0.44 C ATOM 821 N6 A A 8 2.008 5.094 5.851 1.00 0.54 N ATOM 822 N1 A A 8 3.682 6.015 4.552 1.00 0.40 N ATOM 823 C2 A A 8 4.349 6.048 3.391 1.00 0.36 C ATOM 824 N3 A A 8 4.169 5.314 2.295 1.00 0.35 N ATOM 825 C4 A A 8 3.157 4.445 2.468 1.00 0.35 C ATOM 0 H5' A A 8 0.964 0.528 -1.567 1.00 0.39 H new ATOM 0 H5'' A A 8 2.283 -0.623 -1.645 1.00 0.39 H new ATOM 0 H4' A A 8 3.214 1.443 -2.067 1.00 0.43 H new ATOM 0 H3' A A 8 3.799 0.541 0.775 1.00 0.53 H new ATOM 0 H2' A A 8 5.090 2.597 1.112 1.00 0.50 H new ATOM 0 HO2' A A 8 4.931 2.954 -1.686 1.00 0.58 H new ATOM 0 H1' A A 8 3.339 4.274 -0.258 1.00 0.38 H new ATOM 0 H8 A A 8 1.087 2.081 1.730 1.00 0.42 H new ATOM 0 H61 A A 8 2.267 5.728 6.607 1.00 0.54 H new ATOM 0 H62 A A 8 1.242 4.433 5.980 1.00 0.54 H new ATOM 0 H2 A A 8 5.147 6.774 3.336 1.00 0.36 H new ATOM 837 P A A 9 5.150 0.308 -2.368 1.00 1.47 P ATOM 838 OP1 A A 9 5.187 1.697 -2.881 1.00 2.35 O ATOM 839 OP2 A A 9 4.081 -0.615 -2.829 1.00 2.33 O ATOM 840 O5' A A 9 6.555 -0.375 -2.673 1.00 1.08 O ATOM 841 C5' A A 9 7.702 -0.091 -1.855 1.00 1.04 C ATOM 842 C4' A A 9 8.371 1.178 -2.321 1.00 1.09 C ATOM 843 O4' A A 9 7.776 1.590 -3.574 1.00 1.26 O ATOM 844 C3' A A 9 8.141 2.370 -1.415 1.00 0.99 C ATOM 845 O3' A A 9 9.061 2.369 -0.332 1.00 1.17 O ATOM 846 C2' A A 9 8.373 3.545 -2.353 1.00 1.26 C ATOM 847 O2' A A 9 9.745 3.864 -2.497 1.00 1.57 O ATOM 848 C1' A A 9 7.821 3.004 -3.675 1.00 1.29 C ATOM 849 N9 A A 9 6.461 3.472 -3.943 1.00 0.00 N ATOM 850 C8 A A 9 5.694 4.304 -3.167 1.00 0.00 C ATOM 851 N7 A A 9 4.506 4.545 -3.664 1.00 0.00 N ATOM 852 C5 A A 9 4.487 3.819 -4.847 1.00 0.00 C ATOM 853 C6 A A 9 3.505 3.649 -5.837 1.00 0.00 C ATOM 854 N6 A A 9 2.302 4.228 -5.795 1.00 0.00 N ATOM 855 N1 A A 9 3.804 2.853 -6.886 1.00 0.00 N ATOM 856 C2 A A 9 5.009 2.272 -6.927 1.00 0.00 C ATOM 857 N3 A A 9 6.015 2.355 -6.059 1.00 0.00 N ATOM 858 C4 A A 9 5.686 3.153 -5.030 1.00 0.00 C ATOM 0 H5' A A 9 8.407 -0.921 -1.903 1.00 1.04 H new ATOM 0 H5'' A A 9 7.399 0.010 -0.813 1.00 1.04 H new ATOM 0 H4' A A 9 9.433 0.935 -2.364 1.00 1.09 H new ATOM 0 H3' A A 9 7.157 2.386 -0.947 1.00 0.99 H new ATOM 0 H2' A A 9 7.907 4.464 -1.997 1.00 1.26 H new ATOM 0 HO2' A A 9 10.251 3.475 -1.753 1.00 1.57 H new ATOM 0 H1' A A 9 8.466 3.352 -4.482 1.00 1.29 H new ATOM 0 H8 A A 9 6.038 4.722 -2.232 1.00 0.00 H new ATOM 0 H61 A A 9 1.631 4.065 -6.546 1.00 0.00 H new ATOM 0 H62 A A 9 2.054 4.833 -5.012 1.00 0.00 H new ATOM 0 H2 A A 9 5.191 1.646 -7.788 1.00 0.00 H new ATOM 870 P A A 10 8.766 1.459 0.959 1.00 1.33 P ATOM 871 OP1 A A 10 9.242 0.081 0.675 1.00 2.11 O ATOM 872 OP2 A A 10 7.344 1.679 1.369 1.00 2.10 O ATOM 873 O5' A A 10 9.703 2.086 2.083 1.00 0.79 O ATOM 874 C5' A A 10 9.286 2.087 3.453 1.00 0.59 C ATOM 875 C4' A A 10 9.398 3.473 4.039 1.00 0.54 C ATOM 876 O4' A A 10 8.125 4.141 3.882 1.00 0.50 O ATOM 877 C3' A A 10 9.659 3.475 5.532 1.00 0.50 C ATOM 878 O3' A A 10 11.063 3.441 5.783 1.00 0.61 O ATOM 879 C2' A A 10 9.009 4.768 6.007 1.00 0.50 C ATOM 880 O2' A A 10 9.876 5.883 5.911 1.00 0.61 O ATOM 881 C1' A A 10 7.844 4.925 5.026 1.00 0.48 C ATOM 882 N9 A A 10 6.582 4.420 5.558 1.00 0.45 N ATOM 883 C8 A A 10 5.792 3.458 4.989 1.00 0.45 C ATOM 884 N7 A A 10 4.709 3.188 5.674 1.00 0.51 N ATOM 885 C5 A A 10 4.794 4.032 6.773 1.00 0.54 C ATOM 886 C6 A A 10 3.954 4.229 7.882 1.00 0.64 C ATOM 887 N6 A A 10 2.812 3.566 8.075 1.00 0.72 N ATOM 888 N1 A A 10 4.333 5.146 8.800 1.00 0.69 N ATOM 889 C2 A A 10 5.480 5.810 8.607 1.00 0.66 C ATOM 890 N3 A A 10 6.351 5.714 7.607 1.00 0.58 N ATOM 891 C4 A A 10 5.945 4.797 6.714 1.00 0.51 C ATOM 0 H5' A A 10 9.900 1.393 4.027 1.00 0.59 H new ATOM 0 H5'' A A 10 8.256 1.737 3.526 1.00 0.59 H new ATOM 0 H4' A A 10 10.227 3.956 3.522 1.00 0.54 H new ATOM 0 H3' A A 10 9.254 2.609 6.055 1.00 0.50 H new ATOM 0 H2' A A 10 8.722 4.726 7.058 1.00 0.50 H new ATOM 0 HO2' A A 10 10.806 5.574 5.892 1.00 0.61 H new ATOM 0 H1' A A 10 7.743 5.990 4.817 1.00 0.48 H new ATOM 0 H8 A A 10 6.039 2.966 4.060 1.00 0.45 H new ATOM 0 H61 A A 10 2.246 3.755 8.902 1.00 0.72 H new ATOM 0 H62 A A 10 2.505 2.870 7.395 1.00 0.72 H new ATOM 0 H2 A A 10 5.734 6.527 9.374 1.00 0.66 H new ATOM 903 P A A 11 11.601 3.154 7.270 1.00 0.62 P ATOM 904 OP1 A A 11 12.511 4.262 7.659 1.00 0.77 O ATOM 905 OP2 A A 11 12.096 1.753 7.300 1.00 0.65 O ATOM 906 O5' A A 11 10.295 3.237 8.176 1.00 0.58 O ATOM 907 C5' A A 11 10.234 4.131 9.303 1.00 0.56 C ATOM 908 C4' A A 11 8.882 4.035 9.967 1.00 0.49 C ATOM 909 O4' A A 11 7.891 3.779 8.941 1.00 0.46 O ATOM 910 C3' A A 11 8.738 2.877 10.940 1.00 0.47 C ATOM 911 O3' A A 11 9.172 3.284 12.242 1.00 0.51 O ATOM 912 C2' A A 11 7.243 2.577 10.893 1.00 0.43 C ATOM 913 O2' A A 11 6.492 3.384 11.777 1.00 0.47 O ATOM 914 C1' A A 11 6.878 2.936 9.452 1.00 0.42 C ATOM 915 N9 A A 11 6.789 1.774 8.568 1.00 0.41 N ATOM 916 C8 A A 11 7.739 1.317 7.689 1.00 0.46 C ATOM 917 N7 A A 11 7.359 0.265 7.003 1.00 0.47 N ATOM 918 C5 A A 11 6.076 0.009 7.465 1.00 0.42 C ATOM 919 C6 A A 11 5.125 -0.977 7.138 1.00 0.43 C ATOM 920 N6 A A 11 5.314 -1.938 6.224 1.00 0.49 N ATOM 921 N1 A A 11 3.946 -0.944 7.792 1.00 0.40 N ATOM 922 C2 A A 11 3.740 0.011 8.707 1.00 0.37 C ATOM 923 N3 A A 11 4.550 0.987 9.099 1.00 0.37 N ATOM 924 C4 A A 11 5.715 0.930 8.434 1.00 0.39 C ATOM 0 H5' A A 11 10.415 5.155 8.976 1.00 0.56 H new ATOM 0 H5'' A A 11 11.018 3.882 10.018 1.00 0.56 H new ATOM 0 H4' A A 11 8.757 4.972 10.510 1.00 0.49 H new ATOM 0 H3' A A 11 9.338 2.001 10.694 1.00 0.47 H new ATOM 0 H2' A A 11 7.028 1.549 11.186 1.00 0.43 H new ATOM 0 HO2' A A 11 6.505 2.987 12.673 1.00 0.47 H new ATOM 0 H1' A A 11 5.897 3.411 9.478 1.00 0.42 H new ATOM 0 H8 A A 11 8.708 1.780 7.573 1.00 0.46 H new ATOM 0 H61 A A 11 4.577 -2.619 6.041 1.00 0.49 H new ATOM 0 H62 A A 11 6.195 -1.988 5.712 1.00 0.49 H new ATOM 0 H2 A A 11 2.778 -0.016 9.196 1.00 0.37 H new ATOM 936 P G A 12 8.582 2.570 13.561 1.00 0.56 P ATOM 937 OP1 G A 12 7.138 2.310 13.365 1.00 0.65 O ATOM 938 OP2 G A 12 9.019 3.390 14.719 1.00 0.68 O ATOM 939 O5' G A 12 9.368 1.183 13.658 1.00 0.50 O ATOM 940 C5' G A 12 8.883 -0.027 13.024 1.00 0.47 C ATOM 941 C4' G A 12 7.376 -0.104 13.098 1.00 0.42 C ATOM 942 O4' G A 12 6.865 0.016 11.750 1.00 0.40 O ATOM 943 C3' G A 12 6.819 -1.424 13.597 1.00 0.39 C ATOM 944 O3' G A 12 6.711 -1.404 15.019 1.00 0.43 O ATOM 945 C2' G A 12 5.444 -1.482 12.936 1.00 0.35 C ATOM 946 O2' G A 12 4.451 -0.796 13.676 1.00 0.37 O ATOM 947 C1' G A 12 5.688 -0.753 11.613 1.00 0.35 C ATOM 948 N9 G A 12 5.882 -1.662 10.488 1.00 0.33 N ATOM 949 C8 G A 12 6.978 -1.728 9.663 1.00 0.36 C ATOM 950 N7 G A 12 6.865 -2.638 8.734 1.00 0.36 N ATOM 951 C5 G A 12 5.619 -3.207 8.961 1.00 0.33 C ATOM 952 C6 G A 12 4.946 -4.247 8.270 1.00 0.36 C ATOM 953 O6 G A 12 5.330 -4.897 7.289 1.00 0.40 O ATOM 954 N1 G A 12 3.698 -4.512 8.830 1.00 0.36 N ATOM 955 C2 G A 12 3.173 -3.860 9.919 1.00 0.34 C ATOM 956 N2 G A 12 1.956 -4.261 10.314 1.00 0.37 N ATOM 957 N3 G A 12 3.791 -2.889 10.571 1.00 0.31 N ATOM 958 C4 G A 12 5.000 -2.616 10.041 1.00 0.31 C ATOM 0 H5' G A 12 9.321 -0.899 13.511 1.00 0.47 H new ATOM 0 H5'' G A 12 9.202 -0.050 11.982 1.00 0.47 H new ATOM 0 H4' G A 12 7.080 0.681 13.794 1.00 0.42 H new ATOM 0 H3' G A 12 7.440 -2.287 13.357 1.00 0.39 H new ATOM 0 H2' G A 12 5.077 -2.504 12.843 1.00 0.35 H new ATOM 0 HO2' G A 12 4.021 -1.417 14.301 1.00 0.37 H new ATOM 0 H1' G A 12 4.807 -0.147 11.405 1.00 0.35 H new ATOM 0 H8 G A 12 7.844 -1.092 9.772 1.00 0.36 H new ATOM 0 H1 G A 12 3.133 -5.244 8.400 1.00 0.36 H new ATOM 0 H21 G A 12 1.509 -3.818 11.117 1.00 0.37 H new ATOM 0 H22 G A 12 1.478 -5.009 9.812 1.00 0.37 H new ATOM 970 P G A 13 5.819 -2.509 15.774 1.00 0.51 P ATOM 971 OP1 G A 13 4.441 -2.432 15.231 1.00 0.59 O ATOM 972 OP2 G A 13 6.038 -2.361 17.235 1.00 0.57 O ATOM 973 O5' G A 13 6.449 -3.898 15.317 1.00 0.57 O ATOM 974 C5' G A 13 6.377 -5.052 16.173 1.00 0.62 C ATOM 975 C4' G A 13 5.093 -5.797 15.936 1.00 0.60 C ATOM 976 O4' G A 13 4.494 -5.266 14.730 1.00 0.59 O ATOM 977 C3' G A 13 5.293 -7.272 15.657 1.00 0.59 C ATOM 978 O3' G A 13 5.306 -8.034 16.871 1.00 0.66 O ATOM 979 C2' G A 13 4.121 -7.620 14.747 1.00 0.57 C ATOM 980 O2' G A 13 2.938 -7.981 15.431 1.00 0.63 O ATOM 981 C1' G A 13 3.898 -6.312 13.990 1.00 0.54 C ATOM 982 N9 G A 13 4.554 -6.354 12.694 1.00 0.50 N ATOM 983 C8 G A 13 5.627 -5.600 12.294 1.00 0.54 C ATOM 984 N7 G A 13 6.034 -5.892 11.089 1.00 0.56 N ATOM 985 C5 G A 13 5.170 -6.898 10.672 1.00 0.50 C ATOM 986 C6 G A 13 5.115 -7.617 9.453 1.00 0.53 C ATOM 987 O6 G A 13 5.844 -7.506 8.462 1.00 0.60 O ATOM 988 N1 G A 13 4.078 -8.548 9.450 1.00 0.51 N ATOM 989 C2 G A 13 3.211 -8.758 10.494 1.00 0.48 C ATOM 990 N2 G A 13 2.277 -9.703 10.303 1.00 0.52 N ATOM 991 N3 G A 13 3.254 -8.096 11.634 1.00 0.47 N ATOM 992 C4 G A 13 4.250 -7.188 11.652 1.00 0.47 C ATOM 0 H5' G A 13 6.439 -4.744 17.217 1.00 0.62 H new ATOM 0 H5'' G A 13 7.227 -5.708 15.983 1.00 0.62 H new ATOM 0 H4' G A 13 4.492 -5.680 16.838 1.00 0.60 H new ATOM 0 H3' G A 13 6.251 -7.502 15.191 1.00 0.59 H new ATOM 0 H2' G A 13 4.346 -8.491 14.132 1.00 0.57 H new ATOM 0 HO2' G A 13 2.699 -7.274 16.067 1.00 0.63 H new ATOM 0 H1' G A 13 2.827 -6.160 13.856 1.00 0.54 H new ATOM 0 H8 G A 13 6.087 -4.843 12.912 1.00 0.54 H new ATOM 0 H1 G A 13 3.954 -9.115 8.611 1.00 0.51 H new ATOM 0 H21 G A 13 1.602 -9.909 11.039 1.00 0.52 H new ATOM 0 H22 G A 13 2.243 -10.215 9.422 1.00 0.52 H new ATOM 1004 P G A 14 3.945 -8.288 17.689 1.00 0.74 P ATOM 1005 OP1 G A 14 3.030 -7.140 17.463 1.00 0.90 O ATOM 1006 OP2 G A 14 4.330 -8.654 19.076 1.00 0.80 O ATOM 1007 O5' G A 14 3.320 -9.585 17.003 1.00 0.68 O ATOM 1008 C5' G A 14 1.912 -9.874 17.113 1.00 0.70 C ATOM 1009 C4' G A 14 1.558 -11.093 16.288 1.00 0.68 C ATOM 1010 O4' G A 14 1.604 -10.740 14.882 1.00 0.67 O ATOM 1011 C3' G A 14 2.527 -12.254 16.387 1.00 0.67 C ATOM 1012 O3' G A 14 2.256 -13.055 17.531 1.00 0.77 O ATOM 1013 C2' G A 14 2.242 -13.020 15.100 1.00 0.67 C ATOM 1014 O2' G A 14 1.121 -13.875 15.208 1.00 0.80 O ATOM 1015 C1' G A 14 1.930 -11.889 14.119 1.00 0.61 C ATOM 1016 N9 G A 14 3.075 -11.574 13.272 1.00 0.50 N ATOM 1017 C8 G A 14 4.085 -10.684 13.540 1.00 0.50 C ATOM 1018 N7 G A 14 4.984 -10.631 12.594 1.00 0.47 N ATOM 1019 C5 G A 14 4.537 -11.541 11.645 1.00 0.41 C ATOM 1020 C6 G A 14 5.099 -11.919 10.398 1.00 0.40 C ATOM 1021 O6 G A 14 6.138 -11.509 9.866 1.00 0.45 O ATOM 1022 N1 G A 14 4.320 -12.878 9.751 1.00 0.41 N ATOM 1023 C2 G A 14 3.150 -13.402 10.251 1.00 0.46 C ATOM 1024 N2 G A 14 2.538 -14.317 9.488 1.00 0.55 N ATOM 1025 N3 G A 14 2.620 -13.058 11.411 1.00 0.49 N ATOM 1026 C4 G A 14 3.360 -12.129 12.050 1.00 0.44 C ATOM 0 H5' G A 14 1.331 -9.016 16.774 1.00 0.70 H new ATOM 0 H5'' G A 14 1.650 -10.045 18.157 1.00 0.70 H new ATOM 0 H4' G A 14 0.585 -11.397 16.674 1.00 0.68 H new ATOM 0 H3' G A 14 3.567 -11.948 16.495 1.00 0.67 H new ATOM 0 H2' G A 14 3.069 -13.671 14.815 1.00 0.67 H new ATOM 0 HO2' G A 14 0.982 -14.341 14.357 1.00 0.80 H new ATOM 0 H1' G A 14 1.110 -12.199 13.472 1.00 0.61 H new ATOM 0 H8 G A 14 4.132 -10.089 14.440 1.00 0.50 H new ATOM 0 H1 G A 14 4.640 -13.215 8.843 1.00 0.41 H new ATOM 0 H21 G A 14 1.667 -14.743 9.803 1.00 0.55 H new ATOM 0 H22 G A 14 2.943 -14.587 8.592 1.00 0.55 H new ATOM 1038 P C A 15 3.339 -14.141 18.014 1.00 0.87 P ATOM 1039 OP1 C A 15 2.770 -14.842 19.193 1.00 0.91 O ATOM 1040 OP2 C A 15 4.657 -13.467 18.126 1.00 1.02 O ATOM 1041 O5' C A 15 3.407 -15.176 16.805 1.00 0.85 O ATOM 1042 C5' C A 15 2.304 -16.058 16.530 1.00 0.94 C ATOM 1043 C4' C A 15 2.652 -16.998 15.398 1.00 0.97 C ATOM 1044 O4' C A 15 2.824 -16.240 14.178 1.00 0.84 O ATOM 1045 C3' C A 15 3.984 -17.709 15.552 1.00 1.09 C ATOM 1046 O3' C A 15 3.849 -18.878 16.370 1.00 1.31 O ATOM 1047 C2' C A 15 4.329 -18.086 14.116 1.00 1.09 C ATOM 1048 O2' C A 15 3.766 -19.324 13.723 1.00 1.30 O ATOM 1049 C1' C A 15 3.698 -16.944 13.315 1.00 0.89 C ATOM 1050 N1 C A 15 4.709 -16.007 12.804 1.00 0.75 N ATOM 1051 C2 C A 15 5.411 -16.344 11.643 1.00 0.77 C ATOM 1052 O2 C A 15 5.152 -17.412 11.071 1.00 0.89 O ATOM 1053 N3 C A 15 6.350 -15.503 11.173 1.00 0.70 N ATOM 1054 C4 C A 15 6.603 -14.364 11.811 1.00 0.66 C ATOM 1055 N4 C A 15 7.540 -13.574 11.303 1.00 0.71 N ATOM 1056 C5 C A 15 5.904 -13.989 12.995 1.00 0.64 C ATOM 1057 C6 C A 15 4.971 -14.832 13.455 1.00 0.66 C ATOM 0 H5' C A 15 1.420 -15.476 16.269 1.00 0.94 H new ATOM 0 H5'' C A 15 2.056 -16.631 17.424 1.00 0.94 H new ATOM 0 H4' C A 15 1.835 -17.720 15.391 1.00 0.97 H new ATOM 0 H3' C A 15 4.747 -17.100 16.036 1.00 1.09 H new ATOM 0 H2' C A 15 5.402 -18.209 13.970 1.00 1.09 H new ATOM 0 HO2' C A 15 3.493 -19.827 14.519 1.00 1.30 H new ATOM 0 HO3' C A 15 4.719 -19.321 16.454 1.00 1.31 H new ATOM 0 H1' C A 15 3.172 -17.368 12.459 1.00 0.89 H new ATOM 0 H41 C A 15 7.766 -12.691 11.761 1.00 0.71 H new ATOM 0 H42 C A 15 8.035 -13.850 10.455 1.00 0.71 H new ATOM 0 H5 C A 15 6.119 -13.060 13.502 1.00 0.64 H new ATOM 0 H6 C A 15 4.419 -14.582 14.349 1.00 0.66 H new TER 1069 C A 15