USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=22 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 49:sc= -5.9! USER MOD Single : A 2 C O2' : rot -70:sc= 0.41 USER MOD Single : A 3 C O2' : rot 48:sc= -5.81! USER MOD Single : A 4 C O2' : rot 4:sc= -0.844 USER MOD Single : A 5 U O2' : rot -5:sc= -4.16! USER MOD Single : A 6 G O2' : rot 177:sc= 0.813 USER MOD Single : A 7 A O2' : rot -117:sc= -3.72! USER MOD Single : A 8 A O2' : rot 55:sc= -2.44! USER MOD Single : A 9 A O2' : rot -18:sc= 0.144 USER MOD Single : A 10 A O2' : rot -23:sc= 0.129 USER MOD Single : A 11 A O2' : rot -87:sc= -0.976! USER MOD Single : A 12 G O2' : rot -104:sc= -0.09 USER MOD Single : A 13 G O2' : rot -79:sc= 0.751 USER MOD Single : A 14 G O2' : rot 180:sc= -1.97! USER MOD Single : A 15 C O2' : rot -29:sc= 0.171 USER MOD Single : A 15 C O3' : rot 180:sc= 0.126 USER MOD Single : B 4 GLN :FLIP amide:sc= -0.516 F(o=-2.1,f=-0.52) 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= -2.83! C(o=-4.5!,f=-2.8!) USER MOD Single : B 17 GLN : amide:sc= -0.913 X(o=-0.91,f=-0.78) USER MOD Single : B 19 LYS NZ :NH3+ -178:sc= -4.49! (180deg=-5.01!) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.98! C(o=-6.9!,f=-6!) USER MOD Single : B 29 SER OG : rot 180:sc= -1.62! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -0.257 K(o=-0.26,f=-3.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.244 -9.487 0.024 1.00 0.76 N ATOM 2 CA ASP B 2 9.767 -10.681 0.784 1.00 0.88 C ATOM 3 C ASP B 2 8.253 -10.819 0.652 1.00 0.68 C ATOM 4 O ASP B 2 7.641 -10.278 -0.248 1.00 0.66 O ATOM 5 CB ASP B 2 10.150 -10.419 2.244 1.00 1.25 C ATOM 6 CG ASP B 2 11.633 -10.042 2.334 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.403 -10.558 1.543 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.969 -9.244 3.194 1.00 2.35 O ATOM 0 HA ASP B 2 10.210 -11.604 0.409 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.536 -9.616 2.652 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.954 -11.307 2.846 1.00 1.25 H new ATOM 15 N ALA B 3 7.646 -11.539 1.551 1.00 0.63 N ATOM 16 CA ALA B 3 6.166 -11.724 1.498 1.00 0.58 C ATOM 17 C ALA B 3 5.463 -10.368 1.562 1.00 0.63 C ATOM 18 O ALA B 3 4.372 -10.200 1.056 1.00 0.61 O ATOM 19 CB ALA B 3 5.825 -12.560 2.731 1.00 0.75 C ATOM 0 H ALA B 3 8.112 -12.011 2.326 1.00 0.63 H new ATOM 0 HA ALA B 3 5.844 -12.208 0.576 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.750 -12.739 2.763 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.351 -13.514 2.681 1.00 0.75 H new ATOM 0 HB3 ALA B 3 6.130 -12.024 3.630 1.00 0.75 H new ATOM 25 N GLN B 4 6.082 -9.398 2.181 1.00 0.75 N ATOM 26 CA GLN B 4 5.447 -8.052 2.272 1.00 0.89 C ATOM 27 C GLN B 4 5.491 -7.384 0.910 1.00 0.79 C ATOM 28 O GLN B 4 4.467 -7.059 0.341 1.00 0.81 O ATOM 29 CB GLN B 4 6.280 -7.281 3.300 1.00 1.09 C ATOM 30 CG GLN B 4 5.525 -6.029 3.757 1.00 1.29 C ATOM 31 CD GLN B 4 6.249 -4.779 3.251 1.00 0.85 C ATOM 32 OE1 GLN B 4 5.710 -4.067 2.302 1.00 1.14 O flip ATOM 33 NE2 GLN B 4 7.317 -4.447 3.727 1.00 0.94 N flip ATOM 0 H GLN B 4 6.996 -9.479 2.626 1.00 0.75 H new ATOM 0 HA GLN B 4 4.400 -8.095 2.573 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.495 -7.919 4.157 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.239 -6.998 2.865 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.504 -6.049 3.377 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.460 -6.008 4.845 1.00 1.29 H new ATOM 0 HE21 GLN B 4 7.739 -5.004 4.470 1.00 0.94 H new ATOM 0 HE22 GLN B 4 7.791 -3.612 3.384 1.00 0.94 H new ATOM 42 N THR B 5 6.661 -7.218 0.357 1.00 0.76 N ATOM 43 CA THR B 5 6.744 -6.618 -1.006 1.00 0.79 C ATOM 44 C THR B 5 5.818 -7.427 -1.911 1.00 0.59 C ATOM 45 O THR B 5 5.231 -6.924 -2.849 1.00 0.57 O ATOM 46 CB THR B 5 8.205 -6.774 -1.432 1.00 0.94 C ATOM 47 OG1 THR B 5 9.026 -5.953 -0.614 1.00 1.26 O ATOM 48 CG2 THR B 5 8.361 -6.359 -2.896 1.00 0.94 C ATOM 0 H THR B 5 7.553 -7.468 0.783 1.00 0.76 H new ATOM 0 HA THR B 5 6.447 -5.570 -1.049 1.00 0.79 H new ATOM 0 HB THR B 5 8.506 -7.816 -1.320 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.962 -6.054 -0.885 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.403 -6.471 -3.197 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.732 -6.992 -3.522 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.059 -5.318 -3.013 1.00 0.94 H new ATOM 56 N ARG B 6 5.663 -8.685 -1.590 1.00 0.48 N ATOM 57 CA ARG B 6 4.753 -9.559 -2.367 1.00 0.46 C ATOM 58 C ARG B 6 3.318 -9.194 -2.046 1.00 0.43 C ATOM 59 O ARG B 6 2.490 -9.047 -2.925 1.00 0.45 O ATOM 60 CB ARG B 6 5.014 -10.973 -1.867 1.00 0.56 C ATOM 61 CG ARG B 6 5.743 -11.779 -2.944 1.00 0.78 C ATOM 62 CD ARG B 6 6.183 -13.124 -2.364 1.00 1.03 C ATOM 63 NE ARG B 6 4.911 -13.844 -2.063 1.00 0.88 N ATOM 64 CZ ARG B 6 4.190 -14.357 -3.031 1.00 0.73 C ATOM 65 NH1 ARG B 6 4.569 -14.250 -4.280 1.00 1.26 N ATOM 66 NH2 ARG B 6 3.081 -14.982 -2.747 1.00 1.43 N ATOM 0 H ARG B 6 6.137 -9.144 -0.812 1.00 0.48 H new ATOM 0 HA ARG B 6 4.916 -9.460 -3.440 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.612 -10.942 -0.956 1.00 0.56 H new ATOM 0 HB3 ARG B 6 4.072 -11.458 -1.613 1.00 0.56 H new ATOM 0 HG2 ARG B 6 5.088 -11.937 -3.801 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.610 -11.225 -3.304 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.794 -13.680 -3.075 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.784 -12.989 -1.464 1.00 1.03 H new ATOM 0 HE ARG B 6 4.600 -13.938 -1.096 1.00 0.88 H new ATOM 0 HH11 ARG B 6 5.435 -13.763 -4.510 1.00 1.26 H new ATOM 0 HH12 ARG B 6 3.998 -14.654 -5.023 1.00 1.26 H new ATOM 0 HH21 ARG B 6 2.779 -15.070 -1.777 1.00 1.43 H new ATOM 0 HH22 ARG B 6 2.516 -15.383 -3.495 1.00 1.43 H new ATOM 80 N ARG B 7 3.010 -9.058 -0.783 1.00 0.61 N ATOM 81 CA ARG B 7 1.616 -8.715 -0.421 1.00 0.80 C ATOM 82 C ARG B 7 1.255 -7.379 -1.068 1.00 0.65 C ATOM 83 O ARG B 7 0.128 -7.145 -1.453 1.00 0.56 O ATOM 84 CB ARG B 7 1.588 -8.613 1.107 1.00 1.16 C ATOM 85 CG ARG B 7 0.247 -8.015 1.564 1.00 1.10 C ATOM 86 CD ARG B 7 0.307 -7.684 3.058 1.00 0.92 C ATOM 87 NE ARG B 7 -0.560 -6.482 3.234 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.860 -6.586 3.252 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.446 -7.750 3.115 1.00 1.08 N ATOM 90 NH2 ARG B 7 -2.578 -5.509 3.411 1.00 1.61 N ATOM 0 H ARG B 7 3.656 -9.169 -0.002 1.00 0.61 H new ATOM 0 HA ARG B 7 0.897 -9.458 -0.766 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.726 -9.600 1.549 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.412 -7.990 1.454 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.027 -7.114 0.991 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.561 -8.721 1.371 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.052 -8.519 3.660 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.330 -7.480 3.374 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.129 -5.564 3.342 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.884 -8.592 2.992 1.00 1.08 H new ATOM 0 HH12 ARG B 7 -3.464 -7.814 3.131 1.00 1.08 H new ATOM 0 HH21 ARG B 7 -2.122 -4.603 3.519 1.00 1.61 H new ATOM 0 HH22 ARG B 7 -3.596 -5.572 3.427 1.00 1.61 H new ATOM 104 N ARG B 8 2.223 -6.511 -1.202 1.00 0.68 N ATOM 105 CA ARG B 8 1.967 -5.186 -1.838 1.00 0.67 C ATOM 106 C ARG B 8 1.335 -5.400 -3.198 1.00 0.48 C ATOM 107 O ARG B 8 0.393 -4.727 -3.568 1.00 0.50 O ATOM 108 CB ARG B 8 3.352 -4.543 -1.975 1.00 0.77 C ATOM 109 CG ARG B 8 3.295 -3.054 -1.611 1.00 0.73 C ATOM 110 CD ARG B 8 2.623 -2.841 -0.242 1.00 0.73 C ATOM 111 NE ARG B 8 2.955 -4.048 0.580 1.00 0.85 N ATOM 112 CZ ARG B 8 2.234 -4.367 1.627 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.208 -3.642 1.984 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.546 -5.422 2.323 1.00 1.16 N ATOM 0 H ARG B 8 3.184 -6.664 -0.897 1.00 0.68 H new ATOM 0 HA ARG B 8 1.289 -4.558 -1.260 1.00 0.67 H new ATOM 0 HB2 ARG B 8 4.062 -5.055 -1.325 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.713 -4.659 -2.997 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.304 -2.643 -1.592 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.744 -2.510 -2.378 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.991 -1.932 0.235 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.544 -2.729 -0.351 1.00 0.73 H new ATOM 0 HE ARG B 8 3.752 -4.629 0.322 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.957 -2.813 1.445 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.658 -3.905 2.802 1.00 1.43 H new ATOM 0 HH21 ARG B 8 3.346 -5.993 2.052 1.00 1.16 H new ATOM 0 HH22 ARG B 8 1.990 -5.677 3.139 1.00 1.16 H new ATOM 128 N GLU B 9 1.811 -6.363 -3.928 1.00 0.38 N ATOM 129 CA GLU B 9 1.182 -6.643 -5.243 1.00 0.34 C ATOM 130 C GLU B 9 -0.264 -7.028 -4.978 1.00 0.31 C ATOM 131 O GLU B 9 -1.163 -6.693 -5.724 1.00 0.34 O ATOM 132 CB GLU B 9 1.970 -7.806 -5.851 1.00 0.40 C ATOM 133 CG GLU B 9 3.416 -7.372 -6.109 1.00 0.59 C ATOM 134 CD GLU B 9 3.707 -7.423 -7.611 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.242 -8.352 -8.252 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.389 -6.534 -8.093 1.00 1.88 O ATOM 0 H GLU B 9 2.598 -6.962 -3.677 1.00 0.38 H new ATOM 0 HA GLU B 9 1.195 -5.794 -5.926 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.952 -8.662 -5.176 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.504 -8.125 -6.783 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.576 -6.362 -5.731 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.104 -8.026 -5.573 1.00 0.59 H new ATOM 143 N ARG B 10 -0.490 -7.683 -3.874 1.00 0.31 N ATOM 144 CA ARG B 10 -1.873 -8.043 -3.496 1.00 0.38 C ATOM 145 C ARG B 10 -2.569 -6.789 -2.983 1.00 0.35 C ATOM 146 O ARG B 10 -3.779 -6.740 -2.870 1.00 0.40 O ATOM 147 CB ARG B 10 -1.738 -9.088 -2.386 1.00 0.46 C ATOM 148 CG ARG B 10 -2.292 -10.429 -2.873 1.00 0.73 C ATOM 149 CD ARG B 10 -1.490 -11.571 -2.245 1.00 0.67 C ATOM 150 NE ARG B 10 -2.094 -12.816 -2.802 1.00 1.55 N ATOM 151 CZ ARG B 10 -3.255 -13.249 -2.372 1.00 2.12 C ATOM 152 NH1 ARG B 10 -3.911 -12.600 -1.443 1.00 2.20 N ATOM 153 NH2 ARG B 10 -3.762 -14.341 -2.875 1.00 3.14 N ATOM 0 H ARG B 10 0.231 -7.983 -3.218 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.457 -8.439 -4.327 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.692 -9.197 -2.101 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.278 -8.761 -1.497 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.345 -10.519 -2.604 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.235 -10.485 -3.960 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.433 -11.497 -2.499 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.559 -11.551 -1.157 1.00 0.67 H new ATOM 0 HE ARG B 10 -1.598 -13.337 -3.526 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -3.520 -11.746 -1.044 1.00 2.20 H new ATOM 0 HH12 ARG B 10 -4.813 -12.948 -1.118 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -3.256 -14.852 -3.598 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -4.664 -14.683 -2.545 1.00 3.14 H new ATOM 167 N ARG B 11 -1.811 -5.761 -2.686 1.00 0.29 N ATOM 168 CA ARG B 11 -2.436 -4.509 -2.203 1.00 0.29 C ATOM 169 C ARG B 11 -2.682 -3.563 -3.370 1.00 0.24 C ATOM 170 O ARG B 11 -3.164 -2.467 -3.182 1.00 0.25 O ATOM 171 CB ARG B 11 -1.440 -3.898 -1.221 1.00 0.32 C ATOM 172 CG ARG B 11 -1.301 -4.787 0.025 1.00 0.41 C ATOM 173 CD ARG B 11 -2.683 -5.050 0.633 1.00 0.55 C ATOM 174 NE ARG B 11 -2.800 -6.538 0.663 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.968 -7.121 0.793 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.063 -6.414 0.898 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.039 -8.423 0.815 1.00 1.76 N ATOM 0 H ARG B 11 -0.794 -5.743 -2.759 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.400 -4.695 -1.729 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.469 -3.782 -1.703 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.772 -2.902 -0.929 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.826 -5.731 -0.242 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.657 -4.302 0.759 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.764 -4.625 1.633 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.473 -4.602 0.031 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.959 -7.110 0.581 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.016 -5.395 0.879 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.964 -6.881 0.999 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.190 -8.982 0.731 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.944 -8.883 0.916 1.00 1.76 H new ATOM 191 N ALA B 12 -2.387 -3.972 -4.582 1.00 0.24 N ATOM 192 CA ALA B 12 -2.657 -3.066 -5.739 1.00 0.28 C ATOM 193 C ALA B 12 -4.121 -2.630 -5.672 1.00 0.31 C ATOM 194 O ALA B 12 -4.488 -1.561 -6.120 1.00 0.33 O ATOM 195 CB ALA B 12 -2.396 -3.912 -6.987 1.00 0.34 C ATOM 0 H ALA B 12 -1.979 -4.877 -4.816 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.036 -2.170 -5.742 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.575 -3.310 -7.878 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.362 -4.257 -6.983 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.065 -4.772 -6.990 1.00 0.34 H new ATOM 201 N GLU B 13 -4.951 -3.446 -5.071 1.00 0.34 N ATOM 202 CA GLU B 13 -6.382 -3.078 -4.920 1.00 0.41 C ATOM 203 C GLU B 13 -6.497 -2.036 -3.811 1.00 0.38 C ATOM 204 O GLU B 13 -7.298 -1.124 -3.880 1.00 0.42 O ATOM 205 CB GLU B 13 -7.099 -4.374 -4.533 1.00 0.48 C ATOM 206 CG GLU B 13 -6.939 -5.405 -5.656 1.00 0.52 C ATOM 207 CD GLU B 13 -6.174 -6.623 -5.133 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.661 -7.252 -4.209 1.00 1.18 O ATOM 209 OE2 GLU B 13 -5.113 -6.905 -5.668 1.00 1.15 O ATOM 0 H GLU B 13 -4.693 -4.352 -4.679 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.815 -2.653 -5.826 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.686 -4.766 -3.604 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.156 -4.177 -4.354 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.918 -5.710 -6.025 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.405 -4.962 -6.497 1.00 0.52 H new ATOM 216 N LYS B 14 -5.665 -2.141 -2.804 1.00 0.33 N ATOM 217 CA LYS B 14 -5.688 -1.130 -1.714 1.00 0.33 C ATOM 218 C LYS B 14 -4.970 0.113 -2.230 1.00 0.28 C ATOM 219 O LYS B 14 -5.342 1.237 -1.960 1.00 0.30 O ATOM 220 CB LYS B 14 -4.913 -1.768 -0.561 1.00 0.31 C ATOM 221 CG LYS B 14 -5.674 -2.988 -0.043 1.00 0.38 C ATOM 222 CD LYS B 14 -6.948 -2.532 0.668 1.00 1.23 C ATOM 223 CE LYS B 14 -7.466 -3.661 1.561 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.861 -3.270 1.903 1.00 1.83 N ATOM 0 H LYS B 14 -4.974 -2.883 -2.694 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.690 -0.845 -1.394 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.919 -2.063 -0.897 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.776 -1.044 0.243 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.925 -3.652 -0.871 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.046 -3.557 0.643 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.745 -1.644 1.267 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.707 -2.256 -0.064 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.440 -4.619 1.042 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -6.855 -3.768 2.457 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.285 -3.996 2.515 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.853 -2.358 2.402 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.421 -3.182 1.031 1.00 1.83 H new ATOM 238 N GLN B 15 -3.946 -0.116 -3.002 1.00 0.25 N ATOM 239 CA GLN B 15 -3.163 0.988 -3.604 1.00 0.24 C ATOM 240 C GLN B 15 -4.006 1.693 -4.660 1.00 0.28 C ATOM 241 O GLN B 15 -4.144 2.893 -4.652 1.00 0.28 O ATOM 242 CB GLN B 15 -1.969 0.276 -4.252 1.00 0.24 C ATOM 243 CG GLN B 15 -0.711 0.525 -3.428 1.00 0.25 C ATOM 244 CD GLN B 15 0.220 -0.680 -3.557 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.111 -1.799 -2.977 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.254 -0.604 -4.191 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.614 -1.049 -3.245 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.855 1.746 -2.884 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.165 -0.794 -4.320 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.826 0.639 -5.270 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.208 1.428 -3.774 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.973 0.687 -2.382 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.511 0.273 -4.644 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.865 -1.417 -4.270 1.00 0.33 H new ATOM 255 N ALA B 16 -4.579 0.950 -5.560 1.00 0.35 N ATOM 256 CA ALA B 16 -5.428 1.583 -6.612 1.00 0.41 C ATOM 257 C ALA B 16 -6.640 2.241 -5.959 1.00 0.40 C ATOM 258 O ALA B 16 -7.174 3.210 -6.461 1.00 0.43 O ATOM 259 CB ALA B 16 -5.857 0.439 -7.531 1.00 0.48 C ATOM 0 H ALA B 16 -4.499 -0.065 -5.616 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.899 2.357 -7.168 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.486 0.831 -8.330 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.974 -0.032 -7.962 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.418 -0.298 -6.957 1.00 0.48 H new ATOM 265 N GLN B 17 -7.062 1.742 -4.827 1.00 0.40 N ATOM 266 CA GLN B 17 -8.219 2.370 -4.136 1.00 0.42 C ATOM 267 C GLN B 17 -7.722 3.624 -3.436 1.00 0.37 C ATOM 268 O GLN B 17 -8.375 4.648 -3.411 1.00 0.40 O ATOM 269 CB GLN B 17 -8.698 1.331 -3.123 1.00 0.45 C ATOM 270 CG GLN B 17 -9.668 0.363 -3.801 1.00 0.53 C ATOM 271 CD GLN B 17 -9.916 -0.837 -2.887 1.00 0.66 C ATOM 272 OE1 GLN B 17 -9.958 -1.963 -3.340 1.00 1.06 O ATOM 273 NE2 GLN B 17 -10.080 -0.642 -1.606 1.00 1.33 N ATOM 0 H GLN B 17 -6.657 0.933 -4.356 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.028 2.653 -4.809 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.847 0.784 -2.718 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.188 1.825 -2.284 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.609 0.868 -4.019 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.258 0.029 -4.754 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.045 0.304 -1.225 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -10.243 -1.435 -0.986 1.00 1.33 H new ATOM 282 N TRP B 18 -6.541 3.546 -2.898 1.00 0.32 N ATOM 283 CA TRP B 18 -5.941 4.722 -2.224 1.00 0.30 C ATOM 284 C TRP B 18 -5.459 5.701 -3.287 1.00 0.31 C ATOM 285 O TRP B 18 -5.707 6.889 -3.229 1.00 0.35 O ATOM 286 CB TRP B 18 -4.739 4.163 -1.466 1.00 0.25 C ATOM 287 CG TRP B 18 -3.930 5.299 -0.935 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.002 5.826 0.304 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.920 6.054 -1.636 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.102 6.879 0.391 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.405 7.046 -0.780 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.411 5.964 -2.924 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.410 7.923 -1.204 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.419 6.828 -3.354 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.915 7.807 -2.505 1.00 0.38 C ATOM 0 H TRP B 18 -5.960 2.707 -2.897 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.640 5.239 -1.567 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.073 3.524 -0.649 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.132 3.544 -2.127 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.652 5.485 1.097 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.974 7.457 1.222 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.793 5.212 -3.598 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.027 8.681 -0.537 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.033 6.741 -4.359 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.142 8.477 -2.851 1.00 0.38 H new ATOM 306 N LYS B 19 -4.770 5.187 -4.261 1.00 0.30 N ATOM 307 CA LYS B 19 -4.248 6.043 -5.356 1.00 0.37 C ATOM 308 C LYS B 19 -5.423 6.735 -6.010 1.00 0.46 C ATOM 309 O LYS B 19 -5.346 7.877 -6.419 1.00 0.70 O ATOM 310 CB LYS B 19 -3.577 5.089 -6.347 1.00 0.40 C ATOM 311 CG LYS B 19 -2.230 4.604 -5.810 1.00 0.49 C ATOM 312 CD LYS B 19 -1.547 3.744 -6.874 1.00 0.96 C ATOM 313 CE LYS B 19 -0.293 3.091 -6.287 1.00 1.30 C ATOM 314 NZ LYS B 19 0.845 3.740 -6.993 1.00 1.92 N ATOM 0 H LYS B 19 -4.543 4.196 -4.346 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.545 6.799 -5.007 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.228 4.235 -6.533 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.432 5.593 -7.302 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.599 5.455 -5.553 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.375 4.027 -4.897 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -2.234 2.977 -7.231 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.280 4.358 -7.734 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -0.232 3.250 -5.210 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -0.296 2.013 -6.450 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 1.740 3.320 -6.669 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.746 3.595 -8.018 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.846 4.759 -6.786 1.00 1.92 H new ATOM 328 N ALA B 20 -6.524 6.044 -6.099 1.00 0.44 N ATOM 329 CA ALA B 20 -7.719 6.657 -6.713 1.00 0.52 C ATOM 330 C ALA B 20 -8.120 7.899 -5.918 1.00 0.56 C ATOM 331 O ALA B 20 -8.670 8.842 -6.451 1.00 0.74 O ATOM 332 CB ALA B 20 -8.810 5.596 -6.629 1.00 0.55 C ATOM 0 H ALA B 20 -6.642 5.085 -5.773 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.543 6.967 -7.743 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.729 5.984 -7.068 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.495 4.706 -7.174 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.987 5.338 -5.585 1.00 0.55 H new ATOM 338 N ALA B 21 -7.837 7.904 -4.641 1.00 0.54 N ATOM 339 CA ALA B 21 -8.193 9.084 -3.805 1.00 0.66 C ATOM 340 C ALA B 21 -6.936 9.698 -3.199 1.00 0.73 C ATOM 341 O ALA B 21 -6.973 10.346 -2.172 1.00 0.99 O ATOM 342 CB ALA B 21 -9.120 8.545 -2.718 1.00 0.71 C ATOM 0 H ALA B 21 -7.376 7.142 -4.144 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.676 9.870 -4.385 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.424 9.361 -2.062 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.003 8.102 -3.179 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.596 7.787 -2.136 1.00 0.71 H new ATOM 348 N ASN B 22 -5.834 9.514 -3.857 1.00 0.73 N ATOM 349 CA ASN B 22 -4.549 10.096 -3.370 1.00 0.88 C ATOM 350 C ASN B 22 -3.571 10.278 -4.535 1.00 1.08 C ATOM 351 O ASN B 22 -2.432 9.866 -4.456 1.00 0.00 O ATOM 352 CB ASN B 22 -3.980 9.101 -2.363 1.00 0.93 C ATOM 353 CG ASN B 22 -4.899 9.016 -1.149 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.456 7.880 -0.866 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.108 9.992 -0.455 1.00 0.94 N flip ATOM 0 H ASN B 22 -5.762 8.980 -4.723 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.708 11.075 -2.918 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.880 8.119 -2.825 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.982 9.412 -2.055 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.667 10.883 -0.682 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.724 9.920 0.355 1.00 0.94 H new ATOM 362 N PRO B 23 -4.044 10.916 -5.572 1.00 0.00 N ATOM 363 CA PRO B 23 -3.197 11.184 -6.745 1.00 0.00 C ATOM 364 C PRO B 23 -2.192 12.254 -6.348 1.00 0.00 C ATOM 365 O PRO B 23 -1.091 12.321 -6.854 1.00 0.00 O ATOM 366 CB PRO B 23 -4.178 11.687 -7.801 1.00 0.00 C ATOM 367 CG PRO B 23 -5.330 12.229 -7.022 1.00 0.00 C ATOM 368 CD PRO B 23 -5.387 11.453 -5.732 1.00 0.00 C ATOM 0 HA PRO B 23 -2.635 10.326 -7.114 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.726 12.457 -8.426 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.493 10.881 -8.464 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.198 13.293 -6.827 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.260 12.120 -7.580 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.661 12.095 -4.894 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.130 10.657 -5.780 1.00 0.00 H new ATOM 376 N LEU B 24 -2.569 13.078 -5.404 1.00 0.00 N ATOM 377 CA LEU B 24 -1.642 14.134 -4.917 1.00 0.00 C ATOM 378 C LEU B 24 -0.344 13.472 -4.460 1.00 0.00 C ATOM 379 O LEU B 24 0.742 13.988 -4.641 1.00 0.00 O ATOM 380 CB LEU B 24 -2.387 14.807 -3.745 1.00 0.00 C ATOM 381 CG LEU B 24 -2.107 14.088 -2.406 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.539 14.993 -1.251 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.892 12.765 -2.324 1.00 0.00 C ATOM 0 H LEU B 24 -3.482 13.062 -4.950 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.376 14.869 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.081 15.850 -3.669 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.459 14.803 -3.944 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.041 13.871 -2.342 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.344 14.491 -0.303 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.977 15.926 -1.290 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.604 15.207 -1.336 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.681 12.275 -1.374 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.960 12.971 -2.397 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.592 12.112 -3.144 1.00 0.00 H new ATOM 395 N LEU B 25 -0.469 12.299 -3.910 1.00 0.00 N ATOM 396 CA LEU B 25 0.718 11.529 -3.471 1.00 0.00 C ATOM 397 C LEU B 25 0.963 10.471 -4.530 1.00 0.00 C ATOM 398 O LEU B 25 1.327 9.345 -4.253 1.00 0.00 O ATOM 399 CB LEU B 25 0.301 10.892 -2.148 1.00 0.00 C ATOM 400 CG LEU B 25 0.737 11.787 -0.988 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.255 11.645 0.167 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.131 11.363 -0.517 1.00 0.00 C ATOM 0 H LEU B 25 -1.362 11.835 -3.744 1.00 0.00 H new ATOM 0 HA LEU B 25 1.625 12.120 -3.344 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.780 10.751 -2.125 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.753 9.905 -2.049 1.00 0.00 H new ATOM 0 HG LEU B 25 0.763 12.825 -1.319 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.056 12.283 0.994 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.248 11.943 -0.168 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.281 10.607 0.499 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.445 12.000 0.310 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.103 10.325 -0.186 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.839 11.462 -1.340 1.00 0.00 H new ATOM 414 N VAL B 26 0.711 10.843 -5.745 1.00 0.00 N ATOM 415 CA VAL B 26 0.856 9.902 -6.875 1.00 0.00 C ATOM 416 C VAL B 26 1.069 10.691 -8.168 1.00 0.00 C ATOM 417 O VAL B 26 0.195 11.395 -8.628 1.00 0.00 O ATOM 418 CB VAL B 26 -0.481 9.146 -6.870 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.070 9.068 -8.280 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.236 7.740 -6.333 1.00 0.00 C ATOM 0 H VAL B 26 0.404 11.780 -6.007 1.00 0.00 H new ATOM 0 HA VAL B 26 1.706 9.225 -6.796 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.194 9.676 -6.238 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.016 8.528 -8.250 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.239 10.076 -8.660 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.375 8.545 -8.936 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.175 7.186 -6.321 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.481 7.226 -6.973 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.161 7.802 -5.320 1.00 0.00 H new ATOM 430 N GLY B 27 2.226 10.582 -8.753 1.00 0.00 N ATOM 431 CA GLY B 27 2.498 11.336 -10.012 1.00 0.00 C ATOM 432 C GLY B 27 2.493 12.842 -9.713 1.00 0.00 C ATOM 433 O GLY B 27 3.502 13.509 -9.828 1.00 0.00 O ATOM 0 H GLY B 27 2.997 10.005 -8.417 1.00 0.00 H new ATOM 0 HA2 GLY B 27 3.461 11.039 -10.426 1.00 0.00 H new ATOM 0 HA3 GLY B 27 1.742 11.100 -10.761 1.00 0.00 H new ATOM 437 N VAL B 28 1.360 13.379 -9.327 1.00 0.00 N ATOM 438 CA VAL B 28 1.275 14.838 -9.013 1.00 0.00 C ATOM 439 C VAL B 28 2.403 15.250 -8.064 1.00 0.00 C ATOM 440 O VAL B 28 2.865 14.469 -7.254 1.00 0.00 O ATOM 441 CB VAL B 28 -0.085 15.024 -8.333 1.00 0.00 C ATOM 442 CG1 VAL B 28 -0.282 16.500 -7.973 1.00 0.00 C ATOM 443 CG2 VAL B 28 -1.196 14.584 -9.288 1.00 0.00 C ATOM 0 H VAL B 28 0.486 12.865 -9.216 1.00 0.00 H new ATOM 0 HA VAL B 28 1.374 15.452 -9.908 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.121 14.421 -7.426 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -1.250 16.630 -7.489 1.00 0.00 H new ATOM 0 HG12 VAL B 28 0.509 16.817 -7.293 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -0.245 17.104 -8.880 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.164 14.716 -8.805 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -1.157 15.188 -10.194 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -1.059 13.534 -9.546 1.00 0.00 H new ATOM 453 N SER B 29 2.846 16.475 -8.164 1.00 0.00 N ATOM 454 CA SER B 29 3.946 16.959 -7.279 1.00 0.00 C ATOM 455 C SER B 29 5.117 15.981 -7.303 1.00 0.00 C ATOM 456 O SER B 29 5.718 15.680 -6.290 1.00 0.00 O ATOM 457 CB SER B 29 3.342 17.037 -5.881 1.00 0.00 C ATOM 458 OG SER B 29 2.015 17.540 -5.965 1.00 0.00 O ATOM 0 H SER B 29 2.491 17.166 -8.825 1.00 0.00 H new ATOM 0 HA SER B 29 4.332 17.925 -7.605 1.00 0.00 H new ATOM 0 HB2 SER B 29 3.339 16.050 -5.419 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.948 17.684 -5.247 1.00 0.00 H new ATOM 0 HG SER B 29 1.626 17.589 -5.067 1.00 0.00 H new ATOM 464 N ALA B 30 5.442 15.494 -8.461 1.00 0.00 N ATOM 465 CA ALA B 30 6.575 14.536 -8.586 1.00 0.00 C ATOM 466 C ALA B 30 7.169 14.646 -9.984 1.00 0.00 C ATOM 467 O ALA B 30 7.542 13.668 -10.600 1.00 0.00 O ATOM 468 CB ALA B 30 5.969 13.150 -8.352 1.00 0.00 C ATOM 0 H ALA B 30 4.969 15.718 -9.336 1.00 0.00 H new ATOM 0 HA ALA B 30 7.376 14.734 -7.874 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.750 12.394 -8.430 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.523 13.111 -7.358 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.201 12.957 -9.101 1.00 0.00 H new ATOM 474 N LYS B 31 7.254 15.845 -10.478 1.00 0.00 N ATOM 475 CA LYS B 31 7.822 16.063 -11.842 1.00 0.00 C ATOM 476 C LYS B 31 7.932 17.566 -12.135 1.00 0.00 C ATOM 477 O LYS B 31 7.009 18.314 -11.881 1.00 0.00 O ATOM 478 CB LYS B 31 6.836 15.395 -12.809 1.00 0.00 C ATOM 479 CG LYS B 31 5.415 15.908 -12.552 1.00 0.00 C ATOM 480 CD LYS B 31 4.494 15.469 -13.697 1.00 0.00 C ATOM 481 CE LYS B 31 3.300 14.689 -13.135 1.00 0.00 C ATOM 482 NZ LYS B 31 2.133 15.600 -13.297 1.00 0.00 N ATOM 0 H LYS B 31 6.954 16.692 -9.996 1.00 0.00 H new ATOM 0 HA LYS B 31 8.824 15.644 -11.939 1.00 0.00 H new ATOM 0 HB2 LYS B 31 7.126 15.605 -13.839 1.00 0.00 H new ATOM 0 HB3 LYS B 31 6.868 14.313 -12.683 1.00 0.00 H new ATOM 0 HG2 LYS B 31 5.043 15.520 -11.604 1.00 0.00 H new ATOM 0 HG3 LYS B 31 5.419 16.995 -12.472 1.00 0.00 H new ATOM 0 HD2 LYS B 31 4.143 16.341 -14.248 1.00 0.00 H new ATOM 0 HD3 LYS B 31 5.046 14.848 -14.402 1.00 0.00 H new ATOM 0 HE2 LYS B 31 3.149 13.755 -13.676 1.00 0.00 H new ATOM 0 HE3 LYS B 31 3.456 14.430 -12.088 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 1.277 15.135 -12.934 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 2.302 16.478 -12.766 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 2.005 15.824 -14.304 1.00 0.00 H new ATOM 496 N PRO B 32 9.064 17.967 -12.662 1.00 0.00 N ATOM 497 CA PRO B 32 9.281 19.398 -12.986 1.00 0.00 C ATOM 498 C PRO B 32 8.517 19.782 -14.258 1.00 0.00 C ATOM 499 O PRO B 32 8.438 19.017 -15.198 1.00 0.00 O ATOM 500 CB PRO B 32 10.788 19.490 -13.213 1.00 0.00 C ATOM 501 CG PRO B 32 11.210 18.112 -13.615 1.00 0.00 C ATOM 502 CD PRO B 32 10.233 17.142 -12.999 1.00 0.00 C ATOM 0 HA PRO B 32 8.929 20.071 -12.204 1.00 0.00 H new ATOM 0 HB2 PRO B 32 11.025 20.217 -13.990 1.00 0.00 H new ATOM 0 HB3 PRO B 32 11.304 19.811 -12.308 1.00 0.00 H new ATOM 0 HG2 PRO B 32 11.215 18.014 -14.701 1.00 0.00 H new ATOM 0 HG3 PRO B 32 12.224 17.906 -13.271 1.00 0.00 H new ATOM 0 HD2 PRO B 32 9.970 16.346 -13.696 1.00 0.00 H new ATOM 0 HD3 PRO B 32 10.652 16.665 -12.113 1.00 0.00 H new ATOM 510 N VAL B 33 7.959 20.962 -14.293 1.00 0.00 N ATOM 511 CA VAL B 33 7.205 21.397 -15.506 1.00 0.00 C ATOM 512 C VAL B 33 7.862 22.637 -16.117 1.00 0.00 C ATOM 513 O VAL B 33 8.680 23.287 -15.495 1.00 0.00 O ATOM 514 CB VAL B 33 5.794 21.722 -15.011 1.00 0.00 C ATOM 515 CG1 VAL B 33 5.145 20.457 -14.446 1.00 0.00 C ATOM 516 CG2 VAL B 33 5.864 22.791 -13.917 1.00 0.00 C ATOM 0 H VAL B 33 7.992 21.644 -13.535 1.00 0.00 H new ATOM 0 HA VAL B 33 7.192 20.629 -16.280 1.00 0.00 H new ATOM 0 HB VAL B 33 5.198 22.096 -15.844 1.00 0.00 H new ATOM 0 HG11 VAL B 33 4.140 20.690 -14.094 1.00 0.00 H new ATOM 0 HG12 VAL B 33 5.089 19.697 -15.226 1.00 0.00 H new ATOM 0 HG13 VAL B 33 5.743 20.081 -13.615 1.00 0.00 H new ATOM 0 HG21 VAL B 33 4.857 23.020 -13.567 1.00 0.00 H new ATOM 0 HG22 VAL B 33 6.462 22.421 -13.084 1.00 0.00 H new ATOM 0 HG23 VAL B 33 6.322 23.694 -14.320 1.00 0.00 H new ATOM 526 N ASN B 34 7.511 22.971 -17.331 1.00 0.00 N ATOM 527 CA ASN B 34 8.118 24.170 -17.980 1.00 0.00 C ATOM 528 C ASN B 34 7.352 25.434 -17.575 1.00 0.00 C ATOM 529 O ASN B 34 6.337 25.370 -16.911 1.00 0.00 O ATOM 530 CB ASN B 34 7.986 23.919 -19.483 1.00 0.00 C ATOM 531 CG ASN B 34 9.185 24.530 -20.214 1.00 0.00 C ATOM 532 OD1 ASN B 34 10.157 24.917 -19.597 1.00 0.00 O ATOM 533 ND2 ASN B 34 9.156 24.633 -21.514 1.00 0.00 N ATOM 0 H ASN B 34 6.831 22.466 -17.900 1.00 0.00 H new ATOM 0 HA ASN B 34 9.156 24.319 -17.684 1.00 0.00 H new ATOM 0 HB2 ASN B 34 7.935 22.848 -19.680 1.00 0.00 H new ATOM 0 HB3 ASN B 34 7.059 24.356 -19.855 1.00 0.00 H new ATOM 0 HD21 ASN B 34 9.949 25.038 -22.011 1.00 0.00 H new ATOM 0 HD22 ASN B 34 8.340 24.308 -22.033 1.00 0.00 H new ATOM 540 N ARG B 35 7.836 26.583 -17.971 1.00 0.00 N ATOM 541 CA ARG B 35 7.144 27.860 -17.613 1.00 0.00 C ATOM 542 C ARG B 35 6.930 27.945 -16.097 1.00 0.00 C ATOM 543 O ARG B 35 5.867 27.621 -15.605 1.00 0.00 O ATOM 544 CB ARG B 35 5.798 27.813 -18.342 1.00 0.00 C ATOM 545 CG ARG B 35 6.027 27.631 -19.847 1.00 0.00 C ATOM 546 CD ARG B 35 5.368 26.330 -20.311 1.00 0.00 C ATOM 547 NE ARG B 35 3.917 26.657 -20.439 1.00 0.00 N ATOM 548 CZ ARG B 35 3.017 25.704 -20.475 1.00 0.00 C ATOM 549 NH1 ARG B 35 3.369 24.445 -20.399 1.00 0.00 N ATOM 550 NH2 ARG B 35 1.754 26.014 -20.588 1.00 0.00 N ATOM 0 H ARG B 35 8.683 26.693 -18.529 1.00 0.00 H new ATOM 0 HA ARG B 35 7.730 28.733 -17.901 1.00 0.00 H new ATOM 0 HB2 ARG B 35 5.193 26.993 -17.955 1.00 0.00 H new ATOM 0 HB3 ARG B 35 5.242 28.733 -18.158 1.00 0.00 H new ATOM 0 HG2 ARG B 35 5.610 28.477 -20.394 1.00 0.00 H new ATOM 0 HG3 ARG B 35 7.095 27.607 -20.063 1.00 0.00 H new ATOM 0 HD2 ARG B 35 5.782 25.995 -21.262 1.00 0.00 H new ATOM 0 HD3 ARG B 35 5.530 25.527 -19.592 1.00 0.00 H new ATOM 0 HE ARG B 35 3.623 27.632 -20.499 1.00 0.00 H new ATOM 0 HH11 ARG B 35 4.354 24.195 -20.311 1.00 0.00 H new ATOM 0 HH12 ARG B 35 2.658 23.714 -20.428 1.00 0.00 H new ATOM 0 HH21 ARG B 35 1.472 26.993 -20.648 1.00 0.00 H new ATOM 0 HH22 ARG B 35 1.049 25.278 -20.617 1.00 0.00 H new ATOM 564 N PRO B 36 7.949 28.383 -15.400 1.00 0.00 N ATOM 565 CA PRO B 36 7.858 28.512 -13.925 1.00 0.00 C ATOM 566 C PRO B 36 6.960 29.692 -13.546 1.00 0.00 C ATOM 567 O PRO B 36 7.206 30.780 -14.041 1.00 0.00 O ATOM 568 CB PRO B 36 9.301 28.766 -13.497 1.00 0.00 C ATOM 569 CG PRO B 36 9.963 29.359 -14.700 1.00 0.00 C ATOM 570 CD PRO B 36 9.265 28.796 -15.910 1.00 0.00 C ATOM 571 OXT PRO B 36 6.043 29.488 -12.769 1.00 0.00 O ATOM 0 HA PRO B 36 7.425 27.635 -13.444 1.00 0.00 H new ATOM 0 HB2 PRO B 36 9.346 29.446 -12.646 1.00 0.00 H new ATOM 0 HB3 PRO B 36 9.791 27.841 -13.193 1.00 0.00 H new ATOM 0 HG2 PRO B 36 9.889 30.446 -14.684 1.00 0.00 H new ATOM 0 HG3 PRO B 36 11.024 29.111 -14.717 1.00 0.00 H new ATOM 0 HD2 PRO B 36 9.171 29.541 -16.700 1.00 0.00 H new ATOM 0 HD3 PRO B 36 9.813 27.953 -16.331 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.960 -17.515 -0.843 1.00 1.31 P ATOM 581 OP1 G A 1 13.893 -18.481 -1.479 1.00 1.51 O ATOM 582 OP2 G A 1 11.560 -17.420 -1.329 1.00 1.52 O ATOM 583 O5' G A 1 12.927 -17.815 0.721 1.00 1.09 O ATOM 584 C5' G A 1 12.246 -16.930 1.629 1.00 1.03 C ATOM 585 C4' G A 1 11.114 -17.657 2.316 1.00 0.94 C ATOM 586 O4' G A 1 11.402 -17.724 3.734 1.00 1.02 O ATOM 587 C3' G A 1 9.775 -16.944 2.263 1.00 0.80 C ATOM 588 O3' G A 1 9.111 -17.198 1.018 1.00 0.75 O ATOM 589 C2' G A 1 9.041 -17.529 3.469 1.00 0.78 C ATOM 590 O2' G A 1 8.418 -18.773 3.226 1.00 0.77 O ATOM 591 C1' G A 1 10.186 -17.726 4.462 1.00 0.90 C ATOM 592 N9 G A 1 10.221 -16.641 5.433 1.00 0.90 N ATOM 593 C8 G A 1 11.050 -15.547 5.438 1.00 0.97 C ATOM 594 N7 G A 1 10.810 -14.729 6.427 1.00 0.99 N ATOM 595 C5 G A 1 9.760 -15.325 7.114 1.00 0.90 C ATOM 596 C6 G A 1 9.067 -14.904 8.272 1.00 0.88 C ATOM 597 O6 G A 1 9.248 -13.888 8.945 1.00 0.94 O ATOM 598 N1 G A 1 8.068 -15.806 8.634 1.00 0.82 N ATOM 599 C2 G A 1 7.780 -16.968 7.957 1.00 0.81 C ATOM 600 N2 G A 1 6.783 -17.716 8.453 1.00 0.83 N ATOM 601 N3 G A 1 8.421 -17.370 6.875 1.00 0.83 N ATOM 602 C4 G A 1 9.391 -16.506 6.513 1.00 0.86 C ATOM 0 H5' G A 1 11.858 -16.068 1.086 1.00 1.03 H new ATOM 0 H5'' G A 1 12.947 -16.549 2.372 1.00 1.03 H new ATOM 0 H4' G A 1 11.044 -18.614 1.799 1.00 0.94 H new ATOM 0 H3' G A 1 9.840 -15.857 2.310 1.00 0.80 H new ATOM 0 H2' G A 1 8.226 -16.881 3.791 1.00 0.78 H new ATOM 0 HO2' G A 1 9.055 -19.379 2.793 1.00 0.77 H new ATOM 0 H1' G A 1 10.043 -18.666 4.995 1.00 0.90 H new ATOM 0 H8 G A 1 11.821 -15.380 4.700 1.00 0.97 H new ATOM 0 H1 G A 1 7.511 -15.589 9.460 1.00 0.82 H new ATOM 0 H21 G A 1 6.523 -18.589 7.994 1.00 0.83 H new ATOM 0 H22 G A 1 6.285 -17.412 9.289 1.00 0.83 H new ATOM 614 P C A 2 8.350 -18.594 0.769 1.00 0.69 P ATOM 615 OP1 C A 2 9.119 -19.678 1.433 1.00 0.84 O ATOM 616 OP2 C A 2 8.065 -18.685 -0.685 1.00 0.82 O ATOM 617 O5' C A 2 6.960 -18.401 1.523 1.00 0.58 O ATOM 618 C5' C A 2 6.425 -17.082 1.746 1.00 0.57 C ATOM 619 C4' C A 2 5.226 -17.146 2.664 1.00 0.55 C ATOM 620 O4' C A 2 5.681 -17.019 4.034 1.00 0.54 O ATOM 621 C3' C A 2 4.241 -16.003 2.480 1.00 0.51 C ATOM 622 O3' C A 2 3.281 -16.335 1.481 1.00 0.59 O ATOM 623 C2' C A 2 3.589 -15.886 3.853 1.00 0.53 C ATOM 624 O2' C A 2 2.484 -16.757 4.009 1.00 0.67 O ATOM 625 C1' C A 2 4.722 -16.304 4.793 1.00 0.51 C ATOM 626 N1 C A 2 5.400 -15.164 5.423 1.00 0.45 N ATOM 627 C2 C A 2 4.900 -14.677 6.631 1.00 0.44 C ATOM 628 O2 C A 2 3.899 -15.220 7.123 1.00 0.49 O ATOM 629 N3 C A 2 5.515 -13.634 7.231 1.00 0.43 N ATOM 630 C4 C A 2 6.590 -13.081 6.667 1.00 0.45 C ATOM 631 N4 C A 2 7.167 -12.055 7.296 1.00 0.49 N ATOM 632 C5 C A 2 7.122 -13.556 5.434 1.00 0.47 C ATOM 633 C6 C A 2 6.502 -14.591 4.850 1.00 0.46 C ATOM 0 H5' C A 2 6.139 -16.634 0.795 1.00 0.57 H new ATOM 0 H5'' C A 2 7.191 -16.441 2.183 1.00 0.57 H new ATOM 0 H4' C A 2 4.734 -18.091 2.432 1.00 0.55 H new ATOM 0 H3' C A 2 4.705 -15.073 2.152 1.00 0.51 H new ATOM 0 H2' C A 2 3.189 -14.889 4.035 1.00 0.53 H new ATOM 0 HO2' C A 2 1.740 -16.445 3.453 1.00 0.67 H new ATOM 0 H1' C A 2 4.282 -16.905 5.589 1.00 0.51 H new ATOM 0 H41 C A 2 7.991 -11.608 6.893 1.00 0.49 H new ATOM 0 H42 C A 2 6.784 -11.718 8.179 1.00 0.49 H new ATOM 0 H5 C A 2 7.992 -13.099 4.986 1.00 0.47 H new ATOM 0 H6 C A 2 6.878 -14.978 3.914 1.00 0.46 H new ATOM 645 P C A 3 2.282 -15.205 0.927 1.00 0.67 P ATOM 646 OP1 C A 3 1.500 -15.782 -0.196 1.00 1.20 O ATOM 647 OP2 C A 3 3.083 -13.974 0.706 1.00 1.00 O ATOM 648 O5' C A 3 1.286 -14.938 2.140 1.00 0.89 O ATOM 649 C5' C A 3 0.734 -13.628 2.370 1.00 0.68 C ATOM 650 C4' C A 3 0.269 -13.502 3.801 1.00 0.61 C ATOM 651 O4' C A 3 1.431 -13.588 4.663 1.00 0.67 O ATOM 652 C3' C A 3 -0.357 -12.162 4.135 1.00 0.56 C ATOM 653 O3' C A 3 -1.756 -12.166 3.821 1.00 0.57 O ATOM 654 C2' C A 3 -0.071 -12.005 5.628 1.00 0.57 C ATOM 655 O2' C A 3 -1.028 -12.617 6.468 1.00 0.64 O ATOM 656 C1' C A 3 1.265 -12.733 5.780 1.00 0.62 C ATOM 657 N1 C A 3 2.404 -11.802 5.802 1.00 0.61 N ATOM 658 C2 C A 3 2.586 -10.981 6.916 1.00 0.56 C ATOM 659 O2 C A 3 1.786 -11.066 7.860 1.00 0.55 O ATOM 660 N3 C A 3 3.625 -10.117 6.936 1.00 0.58 N ATOM 661 C4 C A 3 4.461 -10.058 5.899 1.00 0.65 C ATOM 662 N4 C A 3 5.473 -9.193 5.959 1.00 0.71 N ATOM 663 C5 C A 3 4.300 -10.883 4.752 1.00 0.71 C ATOM 664 C6 C A 3 3.267 -11.734 4.744 1.00 0.68 C ATOM 0 H5' C A 3 -0.101 -13.453 1.692 1.00 0.68 H new ATOM 0 H5'' C A 3 1.484 -12.867 2.155 1.00 0.68 H new ATOM 0 H4' C A 3 -0.471 -14.289 3.942 1.00 0.61 H new ATOM 0 H3' C A 3 0.044 -11.326 3.562 1.00 0.56 H new ATOM 0 H2' C A 3 -0.081 -10.955 5.922 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.206 -13.528 6.152 1.00 0.64 H new ATOM 0 H1' C A 3 1.246 -13.279 6.723 1.00 0.62 H new ATOM 0 H41 C A 3 6.131 -9.123 5.183 1.00 0.71 H new ATOM 0 H42 C A 3 5.590 -8.601 6.781 1.00 0.71 H new ATOM 0 H5 C A 3 4.985 -10.825 3.919 1.00 0.71 H new ATOM 0 H6 C A 3 3.113 -12.376 3.889 1.00 0.68 H new ATOM 676 P C A 4 -2.805 -12.904 4.790 1.00 0.57 P ATOM 677 OP1 C A 4 -2.136 -14.073 5.419 1.00 0.73 O ATOM 678 OP2 C A 4 -4.052 -13.110 4.010 1.00 0.60 O ATOM 679 O5' C A 4 -3.108 -11.809 5.906 1.00 0.61 O ATOM 680 C5' C A 4 -2.950 -10.407 5.613 1.00 0.51 C ATOM 681 C4' C A 4 -2.862 -9.608 6.888 1.00 0.47 C ATOM 682 O4' C A 4 -1.524 -9.732 7.425 1.00 0.55 O ATOM 683 C3' C A 4 -3.052 -8.113 6.692 1.00 0.45 C ATOM 684 O3' C A 4 -4.438 -7.796 6.769 1.00 0.51 O ATOM 685 C2' C A 4 -2.285 -7.515 7.864 1.00 0.47 C ATOM 686 O2' C A 4 -3.069 -7.406 9.038 1.00 0.57 O ATOM 687 C1' C A 4 -1.159 -8.529 8.075 1.00 0.48 C ATOM 688 N1 C A 4 0.128 -8.087 7.520 1.00 0.43 N ATOM 689 C2 C A 4 0.817 -7.045 8.146 1.00 0.39 C ATOM 690 O2 C A 4 0.313 -6.501 9.142 1.00 0.43 O ATOM 691 N3 C A 4 2.012 -6.658 7.648 1.00 0.38 N ATOM 692 C4 C A 4 2.514 -7.269 6.574 1.00 0.45 C ATOM 693 N4 C A 4 3.693 -6.865 6.115 1.00 0.51 N ATOM 694 C5 C A 4 1.830 -8.324 5.918 1.00 0.51 C ATOM 695 C6 C A 4 0.653 -8.698 6.416 1.00 0.48 C ATOM 0 H5' C A 4 -3.792 -10.057 5.015 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.050 -10.253 5.018 1.00 0.51 H new ATOM 0 H4' C A 4 -3.651 -10.000 7.530 1.00 0.47 H new ATOM 0 H3' C A 4 -2.703 -7.740 5.729 1.00 0.45 H new ATOM 0 H2' C A 4 -1.951 -6.498 7.659 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.952 -7.801 8.880 1.00 0.57 H new ATOM 0 H1' C A 4 -1.029 -8.654 9.150 1.00 0.48 H new ATOM 0 H41 C A 4 4.102 -7.313 5.295 1.00 0.51 H new ATOM 0 H42 C A 4 4.189 -6.106 6.582 1.00 0.51 H new ATOM 0 H5 C A 4 2.248 -8.806 5.047 1.00 0.51 H new ATOM 0 H6 C A 4 0.104 -9.497 5.940 1.00 0.48 H new ATOM 707 P U A 5 -5.016 -6.541 5.951 1.00 0.57 P ATOM 708 OP1 U A 5 -6.488 -6.527 6.146 1.00 0.62 O ATOM 709 OP2 U A 5 -4.463 -6.590 4.581 1.00 0.77 O ATOM 710 O5' U A 5 -4.409 -5.283 6.716 1.00 0.49 O ATOM 711 C5' U A 5 -4.817 -4.996 8.062 1.00 0.45 C ATOM 712 C4' U A 5 -4.035 -3.834 8.622 1.00 0.41 C ATOM 713 O4' U A 5 -2.670 -4.241 8.873 1.00 0.47 O ATOM 714 C3' U A 5 -3.881 -2.647 7.691 1.00 0.35 C ATOM 715 O3' U A 5 -5.050 -1.825 7.748 1.00 0.36 O ATOM 716 C2' U A 5 -2.660 -1.938 8.266 1.00 0.41 C ATOM 717 O2' U A 5 -2.988 -1.025 9.298 1.00 0.50 O ATOM 718 C1' U A 5 -1.842 -3.097 8.834 1.00 0.43 C ATOM 719 N1 U A 5 -0.644 -3.384 8.032 1.00 0.43 N ATOM 720 C2 U A 5 0.415 -2.522 8.194 1.00 0.40 C ATOM 721 O2 U A 5 0.373 -1.567 8.954 1.00 0.39 O ATOM 722 N3 U A 5 1.521 -2.812 7.440 1.00 0.43 N ATOM 723 C4 U A 5 1.673 -3.849 6.555 1.00 0.50 C ATOM 724 O4 U A 5 2.738 -3.970 5.946 1.00 0.54 O ATOM 725 C5 U A 5 0.531 -4.704 6.436 1.00 0.55 C ATOM 726 C6 U A 5 -0.570 -4.450 7.164 1.00 0.51 C ATOM 0 H5' U A 5 -4.668 -5.876 8.688 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.882 -4.767 8.083 1.00 0.45 H new ATOM 0 H4' U A 5 -4.607 -3.542 9.503 1.00 0.41 H new ATOM 0 H3' U A 5 -3.761 -2.909 6.640 1.00 0.35 H new ATOM 0 H2' U A 5 -2.145 -1.338 7.516 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.962 -0.975 9.393 1.00 0.50 H new ATOM 0 H1' U A 5 -1.499 -2.821 9.831 1.00 0.43 H new ATOM 0 H3 U A 5 2.320 -2.188 7.549 1.00 0.43 H new ATOM 0 H5 U A 5 0.554 -5.549 5.764 1.00 0.55 H new ATOM 0 H6 U A 5 -1.424 -5.103 7.065 1.00 0.51 H new ATOM 737 P G A 6 -4.930 -0.229 7.571 1.00 0.43 P ATOM 738 OP1 G A 6 -4.940 0.369 8.930 1.00 0.54 O ATOM 739 OP2 G A 6 -5.942 0.203 6.574 1.00 0.65 O ATOM 740 O5' G A 6 -3.486 0.006 6.942 1.00 0.43 O ATOM 741 C5' G A 6 -2.560 0.940 7.538 1.00 0.47 C ATOM 742 C4' G A 6 -1.848 1.728 6.464 1.00 0.47 C ATOM 743 O4' G A 6 -0.454 1.334 6.445 1.00 0.53 O ATOM 744 C3' G A 6 -2.331 1.445 5.053 1.00 0.39 C ATOM 745 O3' G A 6 -3.438 2.284 4.736 1.00 0.41 O ATOM 746 C2' G A 6 -1.116 1.791 4.200 1.00 0.48 C ATOM 747 O2' G A 6 -1.061 3.163 3.855 1.00 0.59 O ATOM 748 C1' G A 6 0.051 1.434 5.126 1.00 0.49 C ATOM 749 N9 G A 6 0.676 0.161 4.786 1.00 0.50 N ATOM 750 C8 G A 6 0.131 -1.090 4.938 1.00 0.60 C ATOM 751 N7 G A 6 0.934 -2.048 4.562 1.00 0.63 N ATOM 752 C5 G A 6 2.078 -1.389 4.131 1.00 0.54 C ATOM 753 C6 G A 6 3.294 -1.905 3.608 1.00 0.55 C ATOM 754 O6 G A 6 3.613 -3.084 3.420 1.00 0.61 O ATOM 755 N1 G A 6 4.192 -0.888 3.291 1.00 0.55 N ATOM 756 C2 G A 6 3.946 0.453 3.459 1.00 0.57 C ATOM 757 N2 G A 6 4.933 1.287 3.096 1.00 0.70 N ATOM 758 N3 G A 6 2.818 0.946 3.947 1.00 0.53 N ATOM 759 C4 G A 6 1.935 -0.026 4.260 1.00 0.49 C ATOM 0 H5' G A 6 -1.833 0.403 8.147 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.094 1.619 8.203 1.00 0.47 H new ATOM 0 H4' G A 6 -2.032 2.774 6.711 1.00 0.47 H new ATOM 0 H3' G A 6 -2.676 0.422 4.903 1.00 0.39 H new ATOM 0 H2' G A 6 -1.120 1.263 3.246 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.240 3.341 3.350 1.00 0.59 H new ATOM 0 H1' G A 6 0.807 2.213 5.023 1.00 0.49 H new ATOM 0 H8 G A 6 -0.861 -1.264 5.329 1.00 0.60 H new ATOM 0 H1 G A 6 5.097 -1.159 2.907 1.00 0.55 H new ATOM 0 H21 G A 6 4.812 2.295 3.196 1.00 0.70 H new ATOM 0 H22 G A 6 5.804 0.913 2.720 1.00 0.70 H new ATOM 771 P A A 7 -4.296 2.000 3.407 1.00 0.43 P ATOM 772 OP1 A A 7 -4.970 3.262 3.009 1.00 0.66 O ATOM 773 OP2 A A 7 -5.107 0.781 3.654 1.00 0.74 O ATOM 774 O5' A A 7 -3.195 1.651 2.311 1.00 0.33 O ATOM 775 C5' A A 7 -3.573 1.346 0.959 1.00 0.29 C ATOM 776 C4' A A 7 -2.577 1.939 -0.007 1.00 0.23 C ATOM 777 O4' A A 7 -2.645 3.381 0.067 1.00 0.23 O ATOM 778 C3' A A 7 -1.123 1.648 0.312 1.00 0.25 C ATOM 779 O3' A A 7 -0.754 0.381 -0.211 1.00 0.27 O ATOM 780 C2' A A 7 -0.391 2.775 -0.408 1.00 0.24 C ATOM 781 O2' A A 7 -0.106 2.478 -1.761 1.00 0.25 O ATOM 782 C1' A A 7 -1.398 3.919 -0.328 1.00 0.21 C ATOM 783 N9 A A 7 -1.002 4.946 0.635 1.00 0.24 N ATOM 784 C8 A A 7 -1.560 5.233 1.855 1.00 0.29 C ATOM 785 N7 A A 7 -0.964 6.215 2.489 1.00 0.33 N ATOM 786 C5 A A 7 0.053 6.601 1.626 1.00 0.30 C ATOM 787 C6 A A 7 1.045 7.594 1.711 1.00 0.34 C ATOM 788 N6 A A 7 1.182 8.417 2.753 1.00 0.39 N ATOM 789 N1 A A 7 1.903 7.714 0.674 1.00 0.35 N ATOM 790 C2 A A 7 1.763 6.888 -0.372 1.00 0.32 C ATOM 791 N3 A A 7 0.875 5.919 -0.566 1.00 0.27 N ATOM 792 C4 A A 7 0.039 5.827 0.480 1.00 0.25 C ATOM 0 H5' A A 7 -4.568 1.740 0.754 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.624 0.266 0.823 1.00 0.29 H new ATOM 0 H4' A A 7 -2.845 1.499 -0.968 1.00 0.23 H new ATOM 0 H3' A A 7 -0.901 1.609 1.378 1.00 0.25 H new ATOM 0 H2' A A 7 0.581 2.982 0.040 1.00 0.24 H new ATOM 0 HO2' A A 7 0.865 2.465 -1.896 1.00 0.25 H new ATOM 0 H1' A A 7 -1.452 4.393 -1.308 1.00 0.21 H new ATOM 0 H8 A A 7 -2.410 4.701 2.256 1.00 0.29 H new ATOM 0 H61 A A 7 1.923 9.118 2.755 1.00 0.39 H new ATOM 0 H62 A A 7 0.546 8.345 3.547 1.00 0.39 H new ATOM 0 H2 A A 7 2.474 7.031 -1.172 1.00 0.32 H new ATOM 804 P A A 8 0.102 -0.631 0.689 1.00 0.37 P ATOM 805 OP1 A A 8 -0.271 -2.002 0.269 1.00 0.47 O ATOM 806 OP2 A A 8 -0.043 -0.235 2.112 1.00 0.44 O ATOM 807 O5' A A 8 1.605 -0.350 0.243 1.00 0.38 O ATOM 808 C5' A A 8 1.904 0.065 -1.101 1.00 0.39 C ATOM 809 C4' A A 8 2.942 1.161 -1.094 1.00 0.43 C ATOM 810 O4' A A 8 2.349 2.362 -0.546 1.00 0.37 O ATOM 811 C3' A A 8 4.131 0.895 -0.188 1.00 0.53 C ATOM 812 O3' A A 8 5.134 0.124 -0.856 1.00 0.66 O ATOM 813 C2' A A 8 4.637 2.300 0.123 1.00 0.50 C ATOM 814 O2' A A 8 5.518 2.798 -0.864 1.00 0.58 O ATOM 815 C1' A A 8 3.343 3.118 0.122 1.00 0.38 C ATOM 816 N9 A A 8 2.857 3.407 1.469 1.00 0.36 N ATOM 817 C8 A A 8 1.859 2.762 2.152 1.00 0.42 C ATOM 818 N7 A A 8 1.636 3.253 3.347 1.00 0.47 N ATOM 819 C5 A A 8 2.553 4.288 3.459 1.00 0.41 C ATOM 820 C6 A A 8 2.827 5.202 4.491 1.00 0.44 C ATOM 821 N6 A A 8 2.174 5.220 5.654 1.00 0.54 N ATOM 822 N1 A A 8 3.807 6.108 4.283 1.00 0.40 N ATOM 823 C2 A A 8 4.461 6.089 3.115 1.00 0.36 C ATOM 824 N3 A A 8 4.293 5.281 2.070 1.00 0.35 N ATOM 825 C4 A A 8 3.312 4.394 2.309 1.00 0.35 C ATOM 0 H5' A A 8 0.996 0.418 -1.590 1.00 0.39 H new ATOM 0 H5'' A A 8 2.267 -0.785 -1.679 1.00 0.39 H new ATOM 0 H4' A A 8 3.277 1.237 -2.128 1.00 0.43 H new ATOM 0 H3' A A 8 3.873 0.319 0.701 1.00 0.53 H new ATOM 0 H2' A A 8 5.207 2.335 1.052 1.00 0.50 H new ATOM 0 HO2' A A 8 5.084 2.756 -1.742 1.00 0.58 H new ATOM 0 H1' A A 8 3.550 4.068 -0.370 1.00 0.38 H new ATOM 0 H8 A A 8 1.308 1.928 1.744 1.00 0.42 H new ATOM 0 H61 A A 8 2.419 5.909 6.366 1.00 0.54 H new ATOM 0 H62 A A 8 1.430 4.545 5.832 1.00 0.54 H new ATOM 0 H2 A A 8 5.234 6.835 3.005 1.00 0.36 H new ATOM 837 P A A 9 5.219 0.132 -2.463 1.00 1.47 P ATOM 838 OP1 A A 9 5.300 1.549 -2.901 1.00 2.33 O ATOM 839 OP2 A A 9 4.139 -0.739 -2.992 1.00 2.35 O ATOM 840 O5' A A 9 6.617 -0.559 -2.780 1.00 1.08 O ATOM 841 C5' A A 9 7.745 -0.372 -1.906 1.00 1.04 C ATOM 842 C4' A A 9 8.541 0.837 -2.333 1.00 1.09 C ATOM 843 O4' A A 9 7.965 1.374 -3.549 1.00 1.26 O ATOM 844 C3' A A 9 8.476 2.004 -1.369 1.00 0.99 C ATOM 845 O3' A A 9 9.430 1.852 -0.324 1.00 1.17 O ATOM 846 C2' A A 9 8.817 3.188 -2.263 1.00 1.26 C ATOM 847 O2' A A 9 10.212 3.356 -2.435 1.00 1.57 O ATOM 848 C1' A A 9 8.172 2.776 -3.589 1.00 1.29 C ATOM 849 N9 A A 9 6.871 3.411 -3.799 1.00 0.00 N ATOM 850 C8 A A 9 6.215 4.279 -2.962 1.00 0.00 C ATOM 851 N7 A A 9 5.058 4.685 -3.424 1.00 0.00 N ATOM 852 C5 A A 9 4.941 4.038 -4.645 1.00 0.00 C ATOM 853 C6 A A 9 3.936 4.044 -5.625 1.00 0.00 C ATOM 854 N6 A A 9 2.812 4.756 -5.526 1.00 0.00 N ATOM 855 N1 A A 9 4.128 3.283 -6.726 1.00 0.00 N ATOM 856 C2 A A 9 5.257 2.570 -6.821 1.00 0.00 C ATOM 857 N3 A A 9 6.274 2.483 -5.969 1.00 0.00 N ATOM 858 C4 A A 9 6.051 3.249 -4.889 1.00 0.00 C ATOM 0 H5' A A 9 8.379 -1.259 -1.924 1.00 1.04 H new ATOM 0 H5'' A A 9 7.402 -0.246 -0.879 1.00 1.04 H new ATOM 0 H4' A A 9 9.566 0.477 -2.418 1.00 1.09 H new ATOM 0 H3' A A 9 7.514 2.106 -0.867 1.00 0.99 H new ATOM 0 H2' A A 9 8.469 4.137 -1.854 1.00 1.26 H new ATOM 0 HO2' A A 9 10.690 2.864 -1.735 1.00 1.57 H new ATOM 0 H1' A A 9 8.834 3.084 -4.398 1.00 1.29 H new ATOM 0 H8 A A 9 6.615 4.598 -2.011 1.00 0.00 H new ATOM 0 H61 A A 9 2.118 4.719 -6.272 1.00 0.00 H new ATOM 0 H62 A A 9 2.647 5.337 -4.704 1.00 0.00 H new ATOM 0 H2 A A 9 5.356 1.980 -7.720 1.00 0.00 H new ATOM 870 P A A 10 8.977 1.219 1.082 1.00 1.33 P ATOM 871 OP1 A A 10 9.535 -0.154 1.175 1.00 2.11 O ATOM 872 OP2 A A 10 7.506 1.427 1.235 1.00 2.10 O ATOM 873 O5' A A 10 9.715 2.127 2.161 1.00 0.79 O ATOM 874 C5' A A 10 9.312 2.091 3.536 1.00 0.59 C ATOM 875 C4' A A 10 9.349 3.477 4.134 1.00 0.54 C ATOM 876 O4' A A 10 8.072 4.111 3.895 1.00 0.50 O ATOM 877 C3' A A 10 9.509 3.479 5.642 1.00 0.50 C ATOM 878 O3' A A 10 10.889 3.480 5.998 1.00 0.61 O ATOM 879 C2' A A 10 8.797 4.754 6.076 1.00 0.50 C ATOM 880 O2' A A 10 9.641 5.889 6.038 1.00 0.61 O ATOM 881 C1' A A 10 7.696 4.885 5.021 1.00 0.48 C ATOM 882 N9 A A 10 6.422 4.343 5.476 1.00 0.45 N ATOM 883 C8 A A 10 5.716 3.329 4.884 1.00 0.45 C ATOM 884 N7 A A 10 4.601 3.028 5.502 1.00 0.51 N ATOM 885 C5 A A 10 4.572 3.905 6.579 1.00 0.54 C ATOM 886 C6 A A 10 3.650 4.093 7.623 1.00 0.64 C ATOM 887 N6 A A 10 2.529 3.382 7.759 1.00 0.72 N ATOM 888 N1 A A 10 3.924 5.050 8.537 1.00 0.69 N ATOM 889 C2 A A 10 5.050 5.762 8.400 1.00 0.66 C ATOM 890 N3 A A 10 5.991 5.680 7.465 1.00 0.58 N ATOM 891 C4 A A 10 5.690 4.722 6.574 1.00 0.51 C ATOM 0 H5' A A 10 9.971 1.429 4.097 1.00 0.59 H new ATOM 0 H5'' A A 10 8.305 1.681 3.615 1.00 0.59 H new ATOM 0 H4' A A 10 10.199 3.983 3.675 1.00 0.54 H new ATOM 0 H3' A A 10 9.092 2.597 6.127 1.00 0.50 H new ATOM 0 H2' A A 10 8.443 4.702 7.105 1.00 0.50 H new ATOM 0 HO2' A A 10 10.576 5.603 6.100 1.00 0.61 H new ATOM 0 H1' A A 10 7.579 5.946 4.802 1.00 0.48 H new ATOM 0 H8 A A 10 6.049 2.824 3.989 1.00 0.45 H new ATOM 0 H61 A A 10 1.899 3.567 8.540 1.00 0.72 H new ATOM 0 H62 A A 10 2.302 2.654 7.082 1.00 0.72 H new ATOM 0 H2 A A 10 5.218 6.511 9.159 1.00 0.66 H new ATOM 903 P A A 11 11.353 2.815 7.386 1.00 0.62 P ATOM 904 OP1 A A 11 12.442 3.645 7.961 1.00 0.77 O ATOM 905 OP2 A A 11 11.589 1.371 7.130 1.00 0.65 O ATOM 906 O5' A A 11 10.072 2.948 8.324 1.00 0.58 O ATOM 907 C5' A A 11 9.941 4.047 9.245 1.00 0.56 C ATOM 908 C4' A A 11 8.578 4.019 9.896 1.00 0.49 C ATOM 909 O4' A A 11 7.591 3.740 8.872 1.00 0.46 O ATOM 910 C3' A A 11 8.394 2.915 10.922 1.00 0.47 C ATOM 911 O3' A A 11 8.828 3.379 12.207 1.00 0.51 O ATOM 912 C2' A A 11 6.892 2.649 10.871 1.00 0.43 C ATOM 913 O2' A A 11 6.151 3.518 11.707 1.00 0.47 O ATOM 914 C1' A A 11 6.551 2.946 9.411 1.00 0.42 C ATOM 915 N9 A A 11 6.445 1.750 8.577 1.00 0.41 N ATOM 916 C8 A A 11 7.397 1.238 7.730 1.00 0.46 C ATOM 917 N7 A A 11 7.008 0.165 7.084 1.00 0.47 N ATOM 918 C5 A A 11 5.716 -0.049 7.540 1.00 0.42 C ATOM 919 C6 A A 11 4.754 -1.032 7.242 1.00 0.43 C ATOM 920 N6 A A 11 4.943 -2.034 6.373 1.00 0.49 N ATOM 921 N1 A A 11 3.566 -0.955 7.878 1.00 0.40 N ATOM 922 C2 A A 11 3.363 0.041 8.747 1.00 0.37 C ATOM 923 N3 A A 11 4.184 1.021 9.111 1.00 0.37 N ATOM 924 C4 A A 11 5.358 0.919 8.463 1.00 0.39 C ATOM 0 H5' A A 11 10.082 4.991 8.719 1.00 0.56 H new ATOM 0 H5'' A A 11 10.718 3.988 10.007 1.00 0.56 H new ATOM 0 H4' A A 11 8.471 4.984 10.391 1.00 0.49 H new ATOM 0 H3' A A 11 8.972 2.011 10.729 1.00 0.47 H new ATOM 0 H2' A A 11 6.649 1.642 11.210 1.00 0.43 H new ATOM 0 HO2' A A 11 6.102 3.141 12.610 1.00 0.47 H new ATOM 0 H1' A A 11 5.580 3.441 9.407 1.00 0.42 H new ATOM 0 H8 A A 11 8.376 1.678 7.607 1.00 0.46 H new ATOM 0 H61 A A 11 4.199 -2.712 6.206 1.00 0.49 H new ATOM 0 H62 A A 11 5.831 -2.119 5.878 1.00 0.49 H new ATOM 0 H2 A A 11 2.393 0.050 9.221 1.00 0.37 H new ATOM 936 P G A 12 8.211 2.748 13.556 1.00 0.56 P ATOM 937 OP1 G A 12 6.775 2.476 13.322 1.00 0.68 O ATOM 938 OP2 G A 12 8.605 3.633 14.681 1.00 0.65 O ATOM 939 O5' G A 12 8.992 1.368 13.750 1.00 0.50 O ATOM 940 C5' G A 12 8.503 0.124 13.193 1.00 0.47 C ATOM 941 C4' G A 12 6.997 0.061 13.266 1.00 0.42 C ATOM 942 O4' G A 12 6.494 0.176 11.916 1.00 0.40 O ATOM 943 C3' G A 12 6.424 -1.247 13.782 1.00 0.39 C ATOM 944 O3' G A 12 6.320 -1.187 15.208 1.00 0.43 O ATOM 945 C2' G A 12 5.061 -1.314 13.098 1.00 0.35 C ATOM 946 O2' G A 12 4.054 -0.625 13.816 1.00 0.37 O ATOM 947 C1' G A 12 5.325 -0.600 11.769 1.00 0.35 C ATOM 948 N9 G A 12 5.550 -1.510 10.652 1.00 0.33 N ATOM 949 C8 G A 12 6.639 -1.518 9.818 1.00 0.36 C ATOM 950 N7 G A 12 6.559 -2.417 8.877 1.00 0.36 N ATOM 951 C5 G A 12 5.345 -3.050 9.109 1.00 0.33 C ATOM 952 C6 G A 12 4.717 -4.108 8.408 1.00 0.36 C ATOM 953 O6 G A 12 5.122 -4.718 7.411 1.00 0.40 O ATOM 954 N1 G A 12 3.490 -4.443 8.973 1.00 0.36 N ATOM 955 C2 G A 12 2.945 -3.837 10.077 1.00 0.34 C ATOM 956 N2 G A 12 1.752 -4.310 10.474 1.00 0.37 N ATOM 957 N3 G A 12 3.521 -2.845 10.741 1.00 0.31 N ATOM 958 C4 G A 12 4.711 -2.505 10.204 1.00 0.31 C ATOM 0 H5' G A 12 8.934 -0.717 13.736 1.00 0.47 H new ATOM 0 H5'' G A 12 8.826 0.033 12.156 1.00 0.47 H new ATOM 0 H4' G A 12 6.705 0.854 13.955 1.00 0.42 H new ATOM 0 H3' G A 12 7.028 -2.129 13.568 1.00 0.39 H new ATOM 0 H2' G A 12 4.697 -2.338 13.008 1.00 0.35 H new ATOM 0 HO2' G A 12 3.485 -1.272 14.284 1.00 0.37 H new ATOM 0 H1' G A 12 4.438 -0.009 11.544 1.00 0.35 H new ATOM 0 H8 G A 12 7.478 -0.847 9.930 1.00 0.36 H new ATOM 0 H1 G A 12 2.957 -5.194 8.534 1.00 0.36 H new ATOM 0 H21 G A 12 1.288 -3.906 11.288 1.00 0.37 H new ATOM 0 H22 G A 12 1.310 -5.073 9.962 1.00 0.37 H new ATOM 970 P G A 13 5.180 -2.026 15.979 1.00 0.51 P ATOM 971 OP1 G A 13 4.243 -2.608 14.989 1.00 0.57 O ATOM 972 OP2 G A 13 4.653 -1.157 17.062 1.00 0.59 O ATOM 973 O5' G A 13 5.978 -3.223 16.662 1.00 0.57 O ATOM 974 C5' G A 13 6.267 -4.427 15.929 1.00 0.62 C ATOM 975 C4' G A 13 4.990 -5.166 15.614 1.00 0.60 C ATOM 976 O4' G A 13 4.530 -4.742 14.309 1.00 0.59 O ATOM 977 C3' G A 13 5.149 -6.671 15.498 1.00 0.59 C ATOM 978 O3' G A 13 4.985 -7.289 16.774 1.00 0.66 O ATOM 979 C2' G A 13 4.028 -7.060 14.542 1.00 0.57 C ATOM 980 O2' G A 13 2.795 -7.286 15.199 1.00 0.63 O ATOM 981 C1' G A 13 3.922 -5.828 13.643 1.00 0.54 C ATOM 982 N9 G A 13 4.615 -6.013 12.376 1.00 0.50 N ATOM 983 C8 G A 13 5.737 -5.352 11.947 1.00 0.54 C ATOM 984 N7 G A 13 6.136 -5.737 10.765 1.00 0.56 N ATOM 985 C5 G A 13 5.220 -6.711 10.397 1.00 0.50 C ATOM 986 C6 G A 13 5.135 -7.492 9.221 1.00 0.53 C ATOM 987 O6 G A 13 5.880 -7.479 8.235 1.00 0.60 O ATOM 988 N1 G A 13 4.047 -8.361 9.257 1.00 0.51 N ATOM 989 C2 G A 13 3.158 -8.461 10.300 1.00 0.48 C ATOM 990 N2 G A 13 2.172 -9.358 10.154 1.00 0.52 N ATOM 991 N3 G A 13 3.227 -7.739 11.402 1.00 0.47 N ATOM 992 C4 G A 13 4.274 -6.891 11.382 1.00 0.47 C ATOM 0 H5' G A 13 6.931 -5.066 16.512 1.00 0.62 H new ATOM 0 H5'' G A 13 6.791 -4.182 15.005 1.00 0.62 H new ATOM 0 H4' G A 13 4.312 -4.943 16.438 1.00 0.60 H new ATOM 0 H3' G A 13 6.132 -6.983 15.145 1.00 0.59 H new ATOM 0 H2' G A 13 4.240 -7.993 14.021 1.00 0.57 H new ATOM 0 HO2' G A 13 2.804 -8.174 15.614 1.00 0.63 H new ATOM 0 H1' G A 13 2.866 -5.651 13.438 1.00 0.54 H new ATOM 0 H8 G A 13 6.239 -4.592 12.527 1.00 0.54 H new ATOM 0 H1 G A 13 3.899 -8.967 8.450 1.00 0.51 H new ATOM 0 H21 G A 13 1.480 -9.480 10.893 1.00 0.52 H new ATOM 0 H22 G A 13 2.114 -9.918 9.304 1.00 0.52 H new ATOM 1004 P G A 14 4.857 -8.888 16.876 1.00 0.74 P ATOM 1005 OP1 G A 14 4.991 -9.277 18.303 1.00 0.90 O ATOM 1006 OP2 G A 14 5.777 -9.473 15.867 1.00 0.80 O ATOM 1007 O5' G A 14 3.361 -9.187 16.415 1.00 0.68 O ATOM 1008 C5' G A 14 2.486 -10.005 17.213 1.00 0.70 C ATOM 1009 C4' G A 14 1.853 -11.076 16.355 1.00 0.68 C ATOM 1010 O4' G A 14 1.743 -10.565 15.003 1.00 0.67 O ATOM 1011 C3' G A 14 2.681 -12.338 16.213 1.00 0.67 C ATOM 1012 O3' G A 14 2.401 -13.248 17.271 1.00 0.77 O ATOM 1013 C2' G A 14 2.227 -12.895 14.868 1.00 0.67 C ATOM 1014 O2' G A 14 1.058 -13.685 14.969 1.00 0.80 O ATOM 1015 C1' G A 14 1.922 -11.622 14.076 1.00 0.61 C ATOM 1016 N9 G A 14 3.028 -11.255 13.200 1.00 0.50 N ATOM 1017 C8 G A 14 3.938 -10.247 13.401 1.00 0.50 C ATOM 1018 N7 G A 14 4.829 -10.165 12.451 1.00 0.47 N ATOM 1019 C5 G A 14 4.483 -11.180 11.568 1.00 0.41 C ATOM 1020 C6 G A 14 5.086 -11.580 10.349 1.00 0.40 C ATOM 1021 O6 G A 14 6.078 -11.099 9.791 1.00 0.45 O ATOM 1022 N1 G A 14 4.415 -12.658 9.771 1.00 0.41 N ATOM 1023 C2 G A 14 3.305 -13.266 10.308 1.00 0.46 C ATOM 1024 N2 G A 14 2.798 -14.290 9.607 1.00 0.55 N ATOM 1025 N3 G A 14 2.736 -12.902 11.444 1.00 0.49 N ATOM 1026 C4 G A 14 3.373 -11.860 12.016 1.00 0.44 C ATOM 0 H5' G A 14 1.712 -9.387 17.668 1.00 0.70 H new ATOM 0 H5'' G A 14 3.046 -10.464 18.027 1.00 0.70 H new ATOM 0 H4' G A 14 0.909 -11.319 16.842 1.00 0.68 H new ATOM 0 H3' G A 14 3.755 -12.160 16.259 1.00 0.67 H new ATOM 0 H2' G A 14 2.974 -13.551 14.421 1.00 0.67 H new ATOM 0 HO2' G A 14 0.809 -14.016 14.081 1.00 0.80 H new ATOM 0 H1' G A 14 1.035 -11.798 13.467 1.00 0.61 H new ATOM 0 H8 G A 14 3.919 -9.589 14.257 1.00 0.50 H new ATOM 0 H1 G A 14 4.773 -13.021 8.888 1.00 0.41 H new ATOM 0 H21 G A 14 1.975 -14.785 9.950 1.00 0.55 H new ATOM 0 H22 G A 14 3.236 -14.574 8.731 1.00 0.55 H new ATOM 1038 P C A 15 3.559 -14.227 17.801 1.00 0.87 P ATOM 1039 OP1 C A 15 3.092 -14.818 19.080 1.00 0.91 O ATOM 1040 OP2 C A 15 4.849 -13.491 17.760 1.00 1.02 O ATOM 1041 O5' C A 15 3.605 -15.382 16.707 1.00 0.85 O ATOM 1042 C5' C A 15 2.402 -16.063 16.310 1.00 0.94 C ATOM 1043 C4' C A 15 2.656 -16.898 15.078 1.00 0.97 C ATOM 1044 O4' C A 15 2.842 -16.025 13.938 1.00 0.84 O ATOM 1045 C3' C A 15 3.945 -17.694 15.117 1.00 1.09 C ATOM 1046 O3' C A 15 3.758 -18.933 15.812 1.00 1.31 O ATOM 1047 C2' C A 15 4.234 -17.936 13.640 1.00 1.09 C ATOM 1048 O2' C A 15 3.595 -19.094 13.136 1.00 1.30 O ATOM 1049 C1' C A 15 3.652 -16.683 12.982 1.00 0.89 C ATOM 1050 N1 C A 15 4.704 -15.759 12.539 1.00 0.75 N ATOM 1051 C2 C A 15 5.444 -16.087 11.400 1.00 0.77 C ATOM 1052 O2 C A 15 5.180 -17.135 10.794 1.00 0.89 O ATOM 1053 N3 C A 15 6.422 -15.261 10.989 1.00 0.70 N ATOM 1054 C4 C A 15 6.678 -14.144 11.664 1.00 0.66 C ATOM 1055 N4 C A 15 7.654 -13.367 11.214 1.00 0.71 N ATOM 1056 C5 C A 15 5.941 -13.779 12.827 1.00 0.64 C ATOM 1057 C6 C A 15 4.970 -14.609 13.228 1.00 0.66 C ATOM 0 H5' C A 15 1.614 -15.337 16.110 1.00 0.94 H new ATOM 0 H5'' C A 15 2.051 -16.699 17.123 1.00 0.94 H new ATOM 0 H4' C A 15 1.797 -17.566 15.020 1.00 0.97 H new ATOM 0 H3' C A 15 4.755 -17.184 15.639 1.00 1.09 H new ATOM 0 H2' C A 15 5.294 -18.102 13.450 1.00 1.09 H new ATOM 0 HO2' C A 15 3.483 -19.747 13.859 1.00 1.30 H new ATOM 0 HO3' C A 15 4.601 -19.432 15.824 1.00 1.31 H new ATOM 0 H1' C A 15 3.080 -16.984 12.104 1.00 0.89 H new ATOM 0 H41 C A 15 7.883 -12.501 11.702 1.00 0.71 H new ATOM 0 H42 C A 15 8.176 -13.635 10.380 1.00 0.71 H new ATOM 0 H5 C A 15 6.157 -12.868 13.365 1.00 0.64 H new ATOM 0 H6 C A 15 4.390 -14.367 14.106 1.00 0.66 H new TER 1069 C A 15