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 -14:sc= 0.163 USER MOD Single : A 2 C O2' : rot -83:sc= 1.17 USER MOD Single : A 3 C O2' : rot 47:sc= -6.11! USER MOD Single : A 4 C O2' : rot 52:sc= -5.62! USER MOD Single : A 5 U O2' : rot -15:sc= -0.268 USER MOD Single : A 6 G O2' : rot 180:sc= 0.784 USER MOD Single : A 7 A O2' : rot 180:sc= -4.43! USER MOD Single : A 8 A O2' : rot 56:sc= -2.45! USER MOD Single : A 9 A O2' : rot -15:sc= 0.139 USER MOD Single : A 10 A O2' : rot 180:sc= 0 USER MOD Single : A 11 A O2' : rot -87:sc= -0.953! USER MOD Single : A 12 G O2' : rot -111:sc= -0.892! USER MOD Single : A 13 G O2' : rot 58:sc= -5.97! USER MOD Single : A 14 G O2' : rot 180:sc= -2.55! USER MOD Single : A 15 C O2' : rot -23:sc= 0.182 USER MOD Single : A 15 C O3' : rot 180:sc= 0.208 USER MOD Single : B 4 GLN :FLIP amide:sc= -0.216 F(o=-1.4,f=-0.22) 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= -2.94! C(o=-4!,f=-2.9!) USER MOD Single : B 17 GLN : amide:sc= -0.346 X(o=-0.35,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.5! C(o=-6.3!,f=-5.5!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 145:sc= -0.106 (180deg=-0.176) USER MOD Single : B 34 ASN : amide:sc= -0.772 X(o=-0.77,f=-0.42) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.072 -9.977 -0.588 1.00 0.76 N ATOM 2 CA ASP B 2 9.576 -11.106 0.252 1.00 0.88 C ATOM 3 C ASP B 2 8.055 -11.205 0.156 1.00 0.68 C ATOM 4 O ASP B 2 7.441 -10.694 -0.759 1.00 0.66 O ATOM 5 CB ASP B 2 9.994 -10.770 1.687 1.00 1.25 C ATOM 6 CG ASP B 2 11.487 -10.431 1.728 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.232 -11.030 0.972 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.857 -9.576 2.516 1.00 2.35 O ATOM 0 HA ASP B 2 9.986 -12.062 -0.074 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.410 -9.927 2.057 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.786 -11.615 2.343 1.00 1.25 H new ATOM 15 N ALA B 3 7.450 -11.860 1.103 1.00 0.63 N ATOM 16 CA ALA B 3 5.965 -12.004 1.091 1.00 0.58 C ATOM 17 C ALA B 3 5.299 -10.632 1.193 1.00 0.63 C ATOM 18 O ALA B 3 4.192 -10.433 0.733 1.00 0.61 O ATOM 19 CB ALA B 3 5.638 -12.849 2.322 1.00 0.75 C ATOM 0 H ALA B 3 7.920 -12.306 1.891 1.00 0.63 H new ATOM 0 HA ALA B 3 5.604 -12.465 0.172 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.560 -13.000 2.384 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.136 -13.815 2.243 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.984 -12.335 3.219 1.00 0.75 H new ATOM 25 N GLN B 4 5.967 -9.682 1.790 1.00 0.75 N ATOM 26 CA GLN B 4 5.372 -8.322 1.916 1.00 0.89 C ATOM 27 C GLN B 4 5.392 -7.639 0.560 1.00 0.79 C ATOM 28 O GLN B 4 4.360 -7.276 0.028 1.00 0.81 O ATOM 29 CB GLN B 4 6.262 -7.588 2.924 1.00 1.09 C ATOM 30 CG GLN B 4 5.587 -6.294 3.385 1.00 1.29 C ATOM 31 CD GLN B 4 6.310 -5.091 2.774 1.00 0.85 C ATOM 32 OE1 GLN B 4 5.632 -4.225 2.075 1.00 1.14 O flip ATOM 33 NE2 GLN B 4 7.505 -4.939 2.937 1.00 0.94 N flip ATOM 0 H GLN B 4 6.897 -9.789 2.195 1.00 0.75 H new ATOM 0 HA GLN B 4 4.334 -8.339 2.250 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.457 -8.230 3.783 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.227 -7.361 2.470 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.539 -6.292 3.085 1.00 1.29 H new ATOM 0 HG3 GLN B 4 5.607 -6.229 4.473 1.00 1.29 H new ATOM 0 HE21 GLN B 4 8.035 -5.617 3.484 1.00 0.94 H new ATOM 0 HE22 GLN B 4 7.977 -4.133 2.527 1.00 0.94 H new ATOM 42 N THR B 5 6.548 -7.496 -0.026 1.00 0.76 N ATOM 43 CA THR B 5 6.608 -6.875 -1.381 1.00 0.79 C ATOM 44 C THR B 5 5.624 -7.631 -2.272 1.00 0.59 C ATOM 45 O THR B 5 5.016 -7.079 -3.169 1.00 0.57 O ATOM 46 CB THR B 5 8.048 -7.075 -1.858 1.00 0.94 C ATOM 47 OG1 THR B 5 8.918 -6.255 -1.089 1.00 1.26 O ATOM 48 CG2 THR B 5 8.158 -6.694 -3.336 1.00 0.94 C ATOM 0 H THR B 5 7.445 -7.778 0.368 1.00 0.76 H new ATOM 0 HA THR B 5 6.347 -5.817 -1.395 1.00 0.79 H new ATOM 0 HB THR B 5 8.329 -8.121 -1.734 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.841 -6.383 -1.392 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.185 -6.837 -3.673 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.491 -7.324 -3.925 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.877 -5.649 -3.464 1.00 0.94 H new ATOM 56 N ARG B 6 5.442 -8.893 -1.987 1.00 0.48 N ATOM 57 CA ARG B 6 4.473 -9.707 -2.761 1.00 0.46 C ATOM 58 C ARG B 6 3.069 -9.296 -2.374 1.00 0.43 C ATOM 59 O ARG B 6 2.213 -9.092 -3.213 1.00 0.45 O ATOM 60 CB ARG B 6 4.691 -11.148 -2.317 1.00 0.56 C ATOM 61 CG ARG B 6 5.263 -11.964 -3.477 1.00 0.78 C ATOM 62 CD ARG B 6 6.083 -13.134 -2.930 1.00 1.03 C ATOM 63 NE ARG B 6 5.090 -14.015 -2.248 1.00 0.88 N ATOM 64 CZ ARG B 6 5.285 -15.310 -2.158 1.00 0.73 C ATOM 65 NH1 ARG B 6 6.357 -15.865 -2.665 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.400 -16.055 -1.556 1.00 1.43 N ATOM 0 H ARG B 6 5.929 -9.394 -1.244 1.00 0.48 H new ATOM 0 HA ARG B 6 4.605 -9.581 -3.836 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.373 -11.178 -1.468 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.748 -11.583 -1.984 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.454 -12.337 -4.106 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.889 -11.331 -4.106 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.597 -13.665 -3.731 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.848 -12.789 -2.234 1.00 1.03 H new ATOM 0 HE ARG B 6 4.247 -13.605 -1.846 1.00 0.88 H new ATOM 0 HH11 ARG B 6 7.054 -15.290 -3.138 1.00 1.26 H new ATOM 0 HH12 ARG B 6 6.495 -16.873 -2.587 1.00 1.26 H new ATOM 0 HH21 ARG B 6 3.562 -15.631 -1.158 1.00 1.43 H new ATOM 0 HH22 ARG B 6 4.546 -17.062 -1.483 1.00 1.43 H new ATOM 80 N ARG B 7 2.823 -9.185 -1.096 1.00 0.61 N ATOM 81 CA ARG B 7 1.462 -8.801 -0.660 1.00 0.80 C ATOM 82 C ARG B 7 1.109 -7.444 -1.267 1.00 0.65 C ATOM 83 O ARG B 7 -0.026 -7.173 -1.600 1.00 0.56 O ATOM 84 CB ARG B 7 1.523 -8.729 0.867 1.00 1.16 C ATOM 85 CG ARG B 7 0.239 -8.086 1.411 1.00 1.10 C ATOM 86 CD ARG B 7 0.462 -7.652 2.858 1.00 0.92 C ATOM 87 NE ARG B 7 -0.476 -6.513 3.078 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.757 -6.734 3.250 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.236 -7.952 3.230 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.566 -5.728 3.442 1.00 1.08 N ATOM 0 H ARG B 7 3.499 -9.342 -0.349 1.00 0.61 H new ATOM 0 HA ARG B 7 0.698 -9.509 -0.981 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.643 -9.729 1.283 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.391 -8.148 1.178 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.037 -7.226 0.800 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.587 -8.795 1.356 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.257 -8.469 3.549 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.496 -7.347 3.022 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.119 -5.558 3.095 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.611 -8.744 3.079 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.235 -8.110 3.365 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.201 -4.776 3.458 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.563 -5.894 3.576 1.00 1.08 H new ATOM 104 N ARG B 8 2.089 -6.597 -1.428 1.00 0.68 N ATOM 105 CA ARG B 8 1.836 -5.255 -2.030 1.00 0.67 C ATOM 106 C ARG B 8 1.165 -5.435 -3.377 1.00 0.48 C ATOM 107 O ARG B 8 0.226 -4.740 -3.712 1.00 0.50 O ATOM 108 CB ARG B 8 3.226 -4.630 -2.189 1.00 0.77 C ATOM 109 CG ARG B 8 3.198 -3.142 -1.815 1.00 0.73 C ATOM 110 CD ARG B 8 2.558 -2.929 -0.432 1.00 0.73 C ATOM 111 NE ARG B 8 2.914 -4.125 0.390 1.00 0.85 N ATOM 112 CZ ARG B 8 2.254 -4.402 1.485 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.271 -3.642 1.888 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.580 -5.448 2.183 1.00 1.16 N ATOM 0 H ARG B 8 3.059 -6.777 -1.168 1.00 0.68 H new ATOM 0 HA ARG B 8 1.183 -4.627 -1.424 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.941 -5.156 -1.556 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.566 -4.745 -3.218 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.213 -2.745 -1.814 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.639 -2.585 -2.567 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.931 -2.015 0.031 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.476 -2.825 -0.517 1.00 0.73 H new ATOM 0 HE ARG B 8 3.679 -4.731 0.094 1.00 0.85 H new ATOM 0 HH11 ARG B 8 1.008 -2.819 1.347 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.766 -3.872 2.744 1.00 1.43 H new ATOM 0 HH21 ARG B 8 3.346 -6.047 1.876 1.00 1.16 H new ATOM 0 HH22 ARG B 8 2.070 -5.670 3.038 1.00 1.16 H new ATOM 128 N GLU B 9 1.603 -6.395 -4.135 1.00 0.38 N ATOM 129 CA GLU B 9 0.937 -6.643 -5.438 1.00 0.34 C ATOM 130 C GLU B 9 -0.507 -7.015 -5.141 1.00 0.31 C ATOM 131 O GLU B 9 -1.420 -6.677 -5.868 1.00 0.34 O ATOM 132 CB GLU B 9 1.698 -7.802 -6.087 1.00 0.40 C ATOM 133 CG GLU B 9 3.170 -7.415 -6.264 1.00 0.59 C ATOM 134 CD GLU B 9 3.638 -7.796 -7.671 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.111 -7.238 -8.619 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.514 -8.639 -7.774 1.00 1.88 O ATOM 0 H GLU B 9 2.384 -7.012 -3.913 1.00 0.38 H new ATOM 0 HA GLU B 9 0.941 -5.783 -6.107 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.618 -8.695 -5.467 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.256 -8.044 -7.054 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.296 -6.344 -6.106 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.782 -7.921 -5.517 1.00 0.59 H new ATOM 143 N ARG B 10 -0.714 -7.662 -4.026 1.00 0.31 N ATOM 144 CA ARG B 10 -2.092 -8.007 -3.612 1.00 0.38 C ATOM 145 C ARG B 10 -2.761 -6.741 -3.088 1.00 0.35 C ATOM 146 O ARG B 10 -3.968 -6.664 -2.975 1.00 0.40 O ATOM 147 CB ARG B 10 -1.936 -9.044 -2.497 1.00 0.46 C ATOM 148 CG ARG B 10 -2.387 -10.417 -3.000 1.00 0.73 C ATOM 149 CD ARG B 10 -1.393 -11.484 -2.531 1.00 0.67 C ATOM 150 NE ARG B 10 -1.884 -12.761 -3.127 1.00 1.55 N ATOM 151 CZ ARG B 10 -1.125 -13.831 -3.129 1.00 2.12 C ATOM 152 NH1 ARG B 10 0.076 -13.799 -2.608 1.00 2.20 N ATOM 153 NH2 ARG B 10 -1.571 -14.939 -3.655 1.00 3.14 N ATOM 0 H ARG B 10 0.019 -7.965 -3.385 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.702 -8.403 -4.424 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -0.896 -9.089 -2.172 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.528 -8.751 -1.630 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.385 -10.644 -2.625 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.449 -10.415 -4.088 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.382 -11.255 -2.867 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.362 -11.543 -1.443 1.00 0.67 H new ATOM 0 HE ARG B 10 -2.817 -12.802 -3.536 1.00 1.55 H new ATOM 0 HH11 ARG B 10 0.430 -12.936 -2.195 1.00 2.20 H new ATOM 0 HH12 ARG B 10 0.657 -14.637 -2.615 1.00 2.20 H new ATOM 0 HH21 ARG B 10 -2.506 -14.970 -4.062 1.00 3.14 H new ATOM 0 HH22 ARG B 10 -0.985 -15.774 -3.659 1.00 3.14 H new ATOM 167 N ARG B 11 -1.977 -5.733 -2.784 1.00 0.29 N ATOM 168 CA ARG B 11 -2.566 -4.467 -2.292 1.00 0.29 C ATOM 169 C ARG B 11 -2.782 -3.507 -3.456 1.00 0.24 C ATOM 170 O ARG B 11 -3.205 -2.389 -3.261 1.00 0.25 O ATOM 171 CB ARG B 11 -1.549 -3.884 -1.315 1.00 0.32 C ATOM 172 CG ARG B 11 -1.395 -4.798 -0.089 1.00 0.41 C ATOM 173 CD ARG B 11 -2.754 -4.996 0.590 1.00 0.55 C ATOM 174 NE ARG B 11 -2.902 -6.477 0.711 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.028 -7.006 1.126 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.045 -6.248 1.445 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.132 -8.304 1.224 1.00 1.76 N ATOM 0 H ARG B 11 -0.960 -5.741 -2.858 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.532 -4.631 -1.815 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.586 -3.766 -1.811 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.868 -2.891 -0.998 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.987 -5.762 -0.393 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.688 -4.360 0.615 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.783 -4.514 1.567 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.560 -4.564 -0.003 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.119 -7.084 0.468 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.968 -5.234 1.372 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.916 -6.671 1.766 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.341 -8.899 0.979 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.005 -8.723 1.546 1.00 1.76 H new ATOM 191 N ALA B 12 -2.517 -3.927 -4.670 1.00 0.24 N ATOM 192 CA ALA B 12 -2.749 -3.008 -5.825 1.00 0.28 C ATOM 193 C ALA B 12 -4.196 -2.523 -5.762 1.00 0.31 C ATOM 194 O ALA B 12 -4.522 -1.436 -6.196 1.00 0.33 O ATOM 195 CB ALA B 12 -2.506 -3.851 -7.077 1.00 0.34 C ATOM 0 H ALA B 12 -2.156 -4.851 -4.907 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.097 -2.134 -5.820 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.660 -3.237 -7.964 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.483 -4.228 -7.069 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.202 -4.690 -7.091 1.00 0.34 H new ATOM 201 N GLU B 13 -5.058 -3.317 -5.181 1.00 0.34 N ATOM 202 CA GLU B 13 -6.474 -2.899 -5.037 1.00 0.41 C ATOM 203 C GLU B 13 -6.551 -1.865 -3.918 1.00 0.38 C ATOM 204 O GLU B 13 -7.335 -0.937 -3.969 1.00 0.42 O ATOM 205 CB GLU B 13 -7.242 -4.169 -4.668 1.00 0.48 C ATOM 206 CG GLU B 13 -7.165 -5.171 -5.824 1.00 0.52 C ATOM 207 CD GLU B 13 -8.578 -5.597 -6.229 1.00 0.77 C ATOM 208 OE1 GLU B 13 -9.361 -5.900 -5.345 1.00 1.15 O ATOM 209 OE2 GLU B 13 -8.853 -5.614 -7.418 1.00 1.18 O ATOM 0 H GLU B 13 -4.837 -4.237 -4.801 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.888 -2.452 -5.941 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.823 -4.609 -3.763 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.283 -3.927 -4.452 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -6.652 -4.722 -6.674 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.583 -6.043 -5.525 1.00 0.52 H new ATOM 216 N LYS B 14 -5.708 -1.998 -2.924 1.00 0.33 N ATOM 217 CA LYS B 14 -5.697 -0.998 -1.824 1.00 0.33 C ATOM 218 C LYS B 14 -4.939 0.226 -2.328 1.00 0.28 C ATOM 219 O LYS B 14 -5.274 1.359 -2.042 1.00 0.30 O ATOM 220 CB LYS B 14 -4.946 -1.679 -0.673 1.00 0.31 C ATOM 221 CG LYS B 14 -5.657 -2.978 -0.284 1.00 0.38 C ATOM 222 CD LYS B 14 -7.071 -2.668 0.218 1.00 1.23 C ATOM 223 CE LYS B 14 -8.098 -3.341 -0.697 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.404 -3.167 -0.004 1.00 1.83 N ATOM 0 H LYS B 14 -5.031 -2.755 -2.831 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.688 -0.680 -1.500 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.920 -1.891 -0.972 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.896 -1.010 0.186 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.705 -3.648 -1.143 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.091 -3.494 0.492 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -7.191 -3.024 1.241 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.234 -1.590 0.235 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.110 -2.878 -1.684 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.866 -4.396 -0.842 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.159 -3.603 -0.571 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.365 -3.623 0.930 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.602 -2.153 0.114 1.00 1.83 H new ATOM 238 N GLN B 15 -3.924 -0.023 -3.102 1.00 0.25 N ATOM 239 CA GLN B 15 -3.104 1.063 -3.690 1.00 0.24 C ATOM 240 C GLN B 15 -3.911 1.803 -4.749 1.00 0.28 C ATOM 241 O GLN B 15 -3.988 3.010 -4.751 1.00 0.28 O ATOM 242 CB GLN B 15 -1.927 0.322 -4.335 1.00 0.24 C ATOM 243 CG GLN B 15 -0.662 0.559 -3.519 1.00 0.25 C ATOM 244 CD GLN B 15 0.257 -0.654 -3.654 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.094 -1.779 -3.096 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.300 -0.578 -4.273 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.622 -0.963 -3.358 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.784 1.805 -2.959 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.142 -0.745 -4.389 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.782 0.670 -5.358 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.152 1.457 -3.868 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.916 0.723 -2.472 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.572 0.304 -4.708 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.904 -1.396 -4.357 1.00 0.33 H new ATOM 255 N ALA B 16 -4.512 1.085 -5.650 1.00 0.35 N ATOM 256 CA ALA B 16 -5.319 1.753 -6.714 1.00 0.41 C ATOM 257 C ALA B 16 -6.509 2.473 -6.090 1.00 0.40 C ATOM 258 O ALA B 16 -6.953 3.490 -6.586 1.00 0.43 O ATOM 259 CB ALA B 16 -5.785 0.627 -7.638 1.00 0.48 C ATOM 0 H ALA B 16 -4.483 0.067 -5.700 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.745 2.502 -7.259 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.386 1.045 -8.446 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.917 0.117 -8.057 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.385 -0.085 -7.071 1.00 0.48 H new ATOM 265 N GLN B 17 -7.018 1.978 -4.993 1.00 0.40 N ATOM 266 CA GLN B 17 -8.161 2.675 -4.342 1.00 0.42 C ATOM 267 C GLN B 17 -7.614 3.900 -3.626 1.00 0.37 C ATOM 268 O GLN B 17 -8.214 4.957 -3.613 1.00 0.40 O ATOM 269 CB GLN B 17 -8.739 1.671 -3.347 1.00 0.45 C ATOM 270 CG GLN B 17 -9.875 0.887 -4.009 1.00 0.53 C ATOM 271 CD GLN B 17 -11.221 1.489 -3.595 1.00 0.66 C ATOM 272 OE1 GLN B 17 -12.168 0.772 -3.341 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.344 2.787 -3.516 1.00 1.33 N ATOM 0 H GLN B 17 -6.695 1.131 -4.525 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.928 3.003 -5.044 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.960 0.987 -3.011 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.109 2.191 -2.464 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.769 0.918 -5.093 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.827 -0.161 -3.714 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.548 3.389 -3.729 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.236 3.199 -3.241 1.00 1.33 H new ATOM 282 N TRP B 18 -6.454 3.758 -3.060 1.00 0.32 N ATOM 283 CA TRP B 18 -5.812 4.900 -2.367 1.00 0.30 C ATOM 284 C TRP B 18 -5.264 5.868 -3.410 1.00 0.31 C ATOM 285 O TRP B 18 -5.462 7.065 -3.344 1.00 0.35 O ATOM 286 CB TRP B 18 -4.650 4.285 -1.592 1.00 0.25 C ATOM 287 CG TRP B 18 -3.820 5.384 -1.017 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.909 5.886 0.232 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.775 6.126 -1.676 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.981 6.909 0.364 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.254 7.083 -0.787 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.238 6.052 -2.954 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.226 7.941 -1.165 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.213 6.899 -3.339 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.705 7.842 -2.455 1.00 0.38 C ATOM 0 H TRP B 18 -5.918 2.890 -3.048 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.503 5.441 -1.720 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.026 3.640 -0.797 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.046 3.661 -2.250 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.589 5.548 1.000 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.855 7.463 1.211 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.624 5.326 -3.655 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.838 8.672 -0.471 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.805 6.826 -4.336 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.094 8.499 -2.767 1.00 0.38 H new ATOM 306 N LYS B 19 -4.571 5.335 -4.370 1.00 0.30 N ATOM 307 CA LYS B 19 -3.980 6.178 -5.440 1.00 0.37 C ATOM 308 C LYS B 19 -5.100 6.912 -6.143 1.00 0.46 C ATOM 309 O LYS B 19 -4.956 8.046 -6.558 1.00 0.70 O ATOM 310 CB LYS B 19 -3.290 5.204 -6.398 1.00 0.40 C ATOM 311 CG LYS B 19 -1.951 4.743 -5.817 1.00 0.49 C ATOM 312 CD LYS B 19 -1.111 4.094 -6.920 1.00 0.96 C ATOM 313 CE LYS B 19 -1.805 2.822 -7.412 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.790 2.137 -8.260 1.00 1.92 N ATOM 0 H LYS B 19 -4.386 4.336 -4.461 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.274 6.916 -5.060 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.933 4.342 -6.576 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.129 5.685 -7.363 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.416 5.592 -5.390 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.119 4.032 -5.008 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -0.978 4.791 -7.747 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.117 3.855 -6.541 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -2.113 2.192 -6.578 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.703 3.057 -7.983 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -1.191 1.254 -8.636 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 -0.521 2.758 -9.049 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.051 1.920 -7.688 1.00 1.92 H new ATOM 328 N ALA B 20 -6.227 6.273 -6.268 1.00 0.44 N ATOM 329 CA ALA B 20 -7.367 6.940 -6.932 1.00 0.52 C ATOM 330 C ALA B 20 -7.761 8.189 -6.143 1.00 0.56 C ATOM 331 O ALA B 20 -8.260 9.152 -6.691 1.00 0.74 O ATOM 332 CB ALA B 20 -8.502 5.925 -6.918 1.00 0.55 C ATOM 0 H ALA B 20 -6.403 5.323 -5.940 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.125 7.254 -7.948 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.381 6.356 -7.397 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.196 5.030 -7.459 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.742 5.662 -5.888 1.00 0.55 H new ATOM 338 N ALA B 21 -7.534 8.177 -4.854 1.00 0.54 N ATOM 339 CA ALA B 21 -7.890 9.362 -4.023 1.00 0.66 C ATOM 340 C ALA B 21 -6.645 9.928 -3.349 1.00 0.73 C ATOM 341 O ALA B 21 -6.713 10.564 -2.315 1.00 0.99 O ATOM 342 CB ALA B 21 -8.888 8.849 -2.988 1.00 0.71 C ATOM 0 H ALA B 21 -7.118 7.398 -4.344 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.316 10.168 -4.620 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.194 9.670 -2.340 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.762 8.442 -3.496 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.421 8.068 -2.388 1.00 0.71 H new ATOM 348 N ASN B 22 -5.519 9.719 -3.954 1.00 0.73 N ATOM 349 CA ASN B 22 -4.241 10.255 -3.395 1.00 0.88 C ATOM 350 C ASN B 22 -3.205 10.436 -4.510 1.00 1.08 C ATOM 351 O ASN B 22 -2.084 9.983 -4.392 1.00 0.00 O ATOM 352 CB ASN B 22 -3.748 9.224 -2.385 1.00 0.93 C ATOM 353 CG ASN B 22 -4.720 9.150 -1.211 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.298 8.019 -0.947 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -4.953 10.129 -0.531 1.00 0.94 N flip ATOM 0 H ASN B 22 -5.420 9.194 -4.823 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.394 11.228 -2.929 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.662 8.247 -2.861 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.754 9.495 -2.030 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.497 11.017 -0.742 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.605 10.064 0.251 1.00 0.94 H new ATOM 362 N PRO B 23 -3.609 11.121 -5.545 1.00 0.00 N ATOM 363 CA PRO B 23 -2.700 11.397 -6.673 1.00 0.00 C ATOM 364 C PRO B 23 -1.661 12.397 -6.188 1.00 0.00 C ATOM 365 O PRO B 23 -0.531 12.411 -6.628 1.00 0.00 O ATOM 366 CB PRO B 23 -3.611 11.993 -7.744 1.00 0.00 C ATOM 367 CG PRO B 23 -4.769 12.552 -6.985 1.00 0.00 C ATOM 368 CD PRO B 23 -4.925 11.706 -5.748 1.00 0.00 C ATOM 0 HA PRO B 23 -2.165 10.529 -7.059 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -3.099 12.769 -8.313 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.933 11.234 -8.457 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.592 13.595 -6.721 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.676 12.526 -7.589 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.230 12.307 -4.891 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.685 10.937 -5.885 1.00 0.00 H new ATOM 376 N LEU B 24 -2.042 13.216 -5.244 1.00 0.00 N ATOM 377 CA LEU B 24 -1.082 14.204 -4.675 1.00 0.00 C ATOM 378 C LEU B 24 0.138 13.448 -4.151 1.00 0.00 C ATOM 379 O LEU B 24 1.264 13.895 -4.254 1.00 0.00 O ATOM 380 CB LEU B 24 -1.857 14.904 -3.538 1.00 0.00 C ATOM 381 CG LEU B 24 -1.672 14.170 -2.190 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.140 15.081 -1.054 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.496 12.868 -2.164 1.00 0.00 C ATOM 0 H LEU B 24 -2.979 13.243 -4.842 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.721 14.935 -5.399 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.513 15.934 -3.443 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.917 14.943 -3.789 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.618 13.922 -2.067 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.012 14.569 -0.100 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.550 15.997 -1.056 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.192 15.327 -1.195 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.353 12.366 -1.207 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.552 13.103 -2.296 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.167 12.213 -2.971 1.00 0.00 H new ATOM 395 N LEU B 25 -0.094 12.277 -3.631 1.00 0.00 N ATOM 396 CA LEU B 25 1.018 11.429 -3.136 1.00 0.00 C ATOM 397 C LEU B 25 1.301 10.397 -4.213 1.00 0.00 C ATOM 398 O LEU B 25 1.654 9.264 -3.957 1.00 0.00 O ATOM 399 CB LEU B 25 0.475 10.769 -1.870 1.00 0.00 C ATOM 400 CG LEU B 25 0.698 11.696 -0.674 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.377 11.436 0.382 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.079 11.425 -0.071 1.00 0.00 C ATOM 0 H LEU B 25 -1.022 11.867 -3.527 1.00 0.00 H new ATOM 0 HA LEU B 25 1.939 11.971 -2.921 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.588 10.556 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.974 9.815 -1.702 1.00 0.00 H new ATOM 0 HG LEU B 25 0.640 12.733 -1.003 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.217 12.097 1.234 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.361 11.627 -0.046 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.320 10.399 0.712 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.240 12.085 0.782 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.135 10.387 0.258 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.847 11.610 -0.822 1.00 0.00 H new ATOM 414 N VAL B 26 1.106 10.805 -5.427 1.00 0.00 N ATOM 415 CA VAL B 26 1.301 9.906 -6.583 1.00 0.00 C ATOM 416 C VAL B 26 1.690 10.748 -7.796 1.00 0.00 C ATOM 417 O VAL B 26 0.940 11.591 -8.244 1.00 0.00 O ATOM 418 CB VAL B 26 -0.073 9.242 -6.750 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.525 9.286 -8.211 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.033 7.794 -6.283 1.00 0.00 C ATOM 0 H VAL B 26 0.811 11.750 -5.671 1.00 0.00 H new ATOM 0 HA VAL B 26 2.089 9.163 -6.460 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.811 9.780 -6.155 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.501 8.810 -8.304 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.594 10.323 -8.539 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.198 8.757 -8.832 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.934 7.304 -6.394 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.776 7.271 -6.885 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.334 7.771 -5.236 1.00 0.00 H new ATOM 430 N GLY B 27 2.861 10.546 -8.317 1.00 0.00 N ATOM 431 CA GLY B 27 3.298 11.367 -9.480 1.00 0.00 C ATOM 432 C GLY B 27 3.615 12.779 -8.974 1.00 0.00 C ATOM 433 O GLY B 27 4.728 13.253 -9.087 1.00 0.00 O ATOM 0 H GLY B 27 3.535 9.852 -7.993 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.177 10.925 -9.949 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.515 11.401 -10.238 1.00 0.00 H new ATOM 437 N VAL B 28 2.644 13.446 -8.395 1.00 0.00 N ATOM 438 CA VAL B 28 2.889 14.818 -7.858 1.00 0.00 C ATOM 439 C VAL B 28 4.019 14.772 -6.829 1.00 0.00 C ATOM 440 O VAL B 28 4.183 13.798 -6.120 1.00 0.00 O ATOM 441 CB VAL B 28 1.578 15.234 -7.185 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.756 16.601 -6.512 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.472 15.323 -8.239 1.00 0.00 C ATOM 0 H VAL B 28 1.693 13.097 -8.272 1.00 0.00 H new ATOM 0 HA VAL B 28 3.181 15.520 -8.639 1.00 0.00 H new ATOM 0 HB VAL B 28 1.306 14.494 -6.432 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.822 16.895 -6.034 1.00 0.00 H new ATOM 0 HG12 VAL B 28 2.544 16.537 -5.761 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.029 17.343 -7.262 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.462 15.619 -7.762 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.745 16.063 -8.992 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.344 14.351 -8.715 1.00 0.00 H new ATOM 453 N SER B 29 4.795 15.818 -6.739 1.00 0.00 N ATOM 454 CA SER B 29 5.915 15.839 -5.753 1.00 0.00 C ATOM 455 C SER B 29 6.759 14.566 -5.881 1.00 0.00 C ATOM 456 O SER B 29 6.584 13.788 -6.799 1.00 0.00 O ATOM 457 CB SER B 29 5.240 15.899 -4.384 1.00 0.00 C ATOM 458 OG SER B 29 4.796 17.226 -4.137 1.00 0.00 O ATOM 0 H SER B 29 4.702 16.661 -7.306 1.00 0.00 H new ATOM 0 HA SER B 29 6.587 16.682 -5.912 1.00 0.00 H new ATOM 0 HB2 SER B 29 4.397 15.209 -4.351 1.00 0.00 H new ATOM 0 HB3 SER B 29 5.938 15.586 -3.608 1.00 0.00 H new ATOM 0 HG SER B 29 4.361 17.267 -3.260 1.00 0.00 H new ATOM 464 N ALA B 30 7.667 14.345 -4.967 1.00 0.00 N ATOM 465 CA ALA B 30 8.519 13.117 -5.031 1.00 0.00 C ATOM 466 C ALA B 30 9.150 12.974 -6.420 1.00 0.00 C ATOM 467 O ALA B 30 8.746 12.145 -7.213 1.00 0.00 O ATOM 468 CB ALA B 30 7.564 11.954 -4.753 1.00 0.00 C ATOM 0 H ALA B 30 7.857 14.962 -4.177 1.00 0.00 H new ATOM 0 HA ALA B 30 9.340 13.151 -4.315 1.00 0.00 H new ATOM 0 HB1 ALA B 30 8.116 11.015 -4.783 1.00 0.00 H new ATOM 0 HB2 ALA B 30 7.115 12.080 -3.768 1.00 0.00 H new ATOM 0 HB3 ALA B 30 6.780 11.938 -5.510 1.00 0.00 H new ATOM 474 N LYS B 31 10.134 13.778 -6.721 1.00 0.00 N ATOM 475 CA LYS B 31 10.788 13.691 -8.059 1.00 0.00 C ATOM 476 C LYS B 31 12.288 13.406 -7.903 1.00 0.00 C ATOM 477 O LYS B 31 12.973 14.101 -7.180 1.00 0.00 O ATOM 478 CB LYS B 31 10.571 15.064 -8.694 1.00 0.00 C ATOM 479 CG LYS B 31 9.073 15.311 -8.880 1.00 0.00 C ATOM 480 CD LYS B 31 8.821 16.810 -9.050 1.00 0.00 C ATOM 481 CE LYS B 31 9.344 17.266 -10.415 1.00 0.00 C ATOM 482 NZ LYS B 31 10.615 17.981 -10.118 1.00 0.00 N ATOM 0 H LYS B 31 10.513 14.491 -6.098 1.00 0.00 H new ATOM 0 HA LYS B 31 10.374 12.887 -8.667 1.00 0.00 H new ATOM 0 HB2 LYS B 31 11.002 15.841 -8.062 1.00 0.00 H new ATOM 0 HB3 LYS B 31 11.081 15.116 -9.656 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.710 14.769 -9.753 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.522 14.934 -8.019 1.00 0.00 H new ATOM 0 HD2 LYS B 31 7.755 17.022 -8.968 1.00 0.00 H new ATOM 0 HD3 LYS B 31 9.318 17.365 -8.255 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.514 16.417 -11.077 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.629 17.921 -10.913 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 11.297 17.810 -10.885 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 10.429 19.001 -10.041 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 11.008 17.632 -9.221 1.00 0.00 H new ATOM 496 N PRO B 32 12.754 12.392 -8.592 1.00 0.00 N ATOM 497 CA PRO B 32 14.191 12.030 -8.518 1.00 0.00 C ATOM 498 C PRO B 32 15.033 13.046 -9.294 1.00 0.00 C ATOM 499 O PRO B 32 14.772 13.330 -10.447 1.00 0.00 O ATOM 500 CB PRO B 32 14.250 10.656 -9.182 1.00 0.00 C ATOM 501 CG PRO B 32 13.063 10.612 -10.091 1.00 0.00 C ATOM 502 CD PRO B 32 12.006 11.500 -9.488 1.00 0.00 C ATOM 0 HA PRO B 32 14.581 12.022 -7.500 1.00 0.00 H new ATOM 0 HB2 PRO B 32 15.178 10.527 -9.739 1.00 0.00 H new ATOM 0 HB3 PRO B 32 14.209 9.858 -8.441 1.00 0.00 H new ATOM 0 HG2 PRO B 32 13.331 10.956 -11.090 1.00 0.00 H new ATOM 0 HG3 PRO B 32 12.695 9.591 -10.194 1.00 0.00 H new ATOM 0 HD2 PRO B 32 11.473 12.062 -10.255 1.00 0.00 H new ATOM 0 HD3 PRO B 32 11.262 10.920 -8.942 1.00 0.00 H new ATOM 510 N VAL B 33 16.038 13.598 -8.669 1.00 0.00 N ATOM 511 CA VAL B 33 16.894 14.601 -9.369 1.00 0.00 C ATOM 512 C VAL B 33 18.147 13.926 -9.930 1.00 0.00 C ATOM 513 O VAL B 33 18.629 14.271 -10.990 1.00 0.00 O ATOM 514 CB VAL B 33 17.276 15.622 -8.296 1.00 0.00 C ATOM 515 CG1 VAL B 33 18.075 16.759 -8.937 1.00 0.00 C ATOM 516 CG2 VAL B 33 16.010 16.189 -7.646 1.00 0.00 C ATOM 0 H VAL B 33 16.304 13.398 -7.705 1.00 0.00 H new ATOM 0 HA VAL B 33 16.377 15.066 -10.208 1.00 0.00 H new ATOM 0 HB VAL B 33 17.883 15.134 -7.534 1.00 0.00 H new ATOM 0 HG11 VAL B 33 18.348 17.487 -8.173 1.00 0.00 H new ATOM 0 HG12 VAL B 33 18.979 16.356 -9.394 1.00 0.00 H new ATOM 0 HG13 VAL B 33 17.468 17.245 -9.701 1.00 0.00 H new ATOM 0 HG21 VAL B 33 16.287 16.916 -6.882 1.00 0.00 H new ATOM 0 HG22 VAL B 33 15.398 16.676 -8.405 1.00 0.00 H new ATOM 0 HG23 VAL B 33 15.443 15.379 -7.187 1.00 0.00 H new ATOM 526 N ASN B 34 18.679 12.969 -9.218 1.00 0.00 N ATOM 527 CA ASN B 34 19.907 12.264 -9.693 1.00 0.00 C ATOM 528 C ASN B 34 20.990 13.279 -10.060 1.00 0.00 C ATOM 529 O ASN B 34 21.635 13.176 -11.086 1.00 0.00 O ATOM 530 CB ASN B 34 19.467 11.468 -10.924 1.00 0.00 C ATOM 531 CG ASN B 34 20.608 10.557 -11.379 1.00 0.00 C ATOM 532 OD1 ASN B 34 20.937 10.514 -12.547 1.00 0.00 O ATOM 533 ND2 ASN B 34 21.230 9.821 -10.498 1.00 0.00 N ATOM 0 H ASN B 34 18.314 12.643 -8.323 1.00 0.00 H new ATOM 0 HA ASN B 34 20.330 11.614 -8.927 1.00 0.00 H new ATOM 0 HB2 ASN B 34 18.585 10.873 -10.689 1.00 0.00 H new ATOM 0 HB3 ASN B 34 19.188 12.148 -11.729 1.00 0.00 H new ATOM 0 HD21 ASN B 34 21.992 9.210 -10.791 1.00 0.00 H new ATOM 0 HD22 ASN B 34 20.954 9.857 -9.517 1.00 0.00 H new ATOM 540 N ARG B 35 21.186 14.258 -9.225 1.00 0.00 N ATOM 541 CA ARG B 35 22.221 15.294 -9.506 1.00 0.00 C ATOM 542 C ARG B 35 23.603 14.822 -9.017 1.00 0.00 C ATOM 543 O ARG B 35 24.537 14.768 -9.792 1.00 0.00 O ATOM 544 CB ARG B 35 21.740 16.544 -8.751 1.00 0.00 C ATOM 545 CG ARG B 35 22.908 17.509 -8.510 1.00 0.00 C ATOM 546 CD ARG B 35 22.400 18.754 -7.779 1.00 0.00 C ATOM 547 NE ARG B 35 22.326 19.814 -8.826 1.00 0.00 N ATOM 548 CZ ARG B 35 23.420 20.348 -9.316 1.00 0.00 C ATOM 549 NH1 ARG B 35 24.598 19.963 -8.898 1.00 0.00 N ATOM 550 NH2 ARG B 35 23.331 21.273 -10.232 1.00 0.00 N ATOM 0 H ARG B 35 20.672 14.388 -8.354 1.00 0.00 H new ATOM 0 HA ARG B 35 22.338 15.495 -10.571 1.00 0.00 H new ATOM 0 HB2 ARG B 35 20.960 17.044 -9.324 1.00 0.00 H new ATOM 0 HB3 ARG B 35 21.298 16.253 -7.798 1.00 0.00 H new ATOM 0 HG2 ARG B 35 23.683 17.019 -7.920 1.00 0.00 H new ATOM 0 HG3 ARG B 35 23.362 17.792 -9.460 1.00 0.00 H new ATOM 0 HD2 ARG B 35 21.424 18.576 -7.328 1.00 0.00 H new ATOM 0 HD3 ARG B 35 23.075 19.042 -6.973 1.00 0.00 H new ATOM 0 HE ARG B 35 21.416 20.127 -9.164 1.00 0.00 H new ATOM 0 HH11 ARG B 35 24.674 19.240 -8.183 1.00 0.00 H new ATOM 0 HH12 ARG B 35 25.441 20.386 -9.287 1.00 0.00 H new ATOM 0 HH21 ARG B 35 22.415 21.577 -10.563 1.00 0.00 H new ATOM 0 HH22 ARG B 35 24.177 21.692 -10.617 1.00 0.00 H new ATOM 564 N PRO B 36 23.698 14.489 -7.750 1.00 0.00 N ATOM 565 CA PRO B 36 24.992 14.022 -7.193 1.00 0.00 C ATOM 566 C PRO B 36 25.298 12.601 -7.680 1.00 0.00 C ATOM 567 O PRO B 36 25.345 12.408 -8.884 1.00 0.00 O ATOM 568 CB PRO B 36 24.767 14.050 -5.683 1.00 0.00 C ATOM 569 CG PRO B 36 23.289 13.916 -5.509 1.00 0.00 C ATOM 570 CD PRO B 36 22.640 14.515 -6.727 1.00 0.00 C ATOM 571 OXT PRO B 36 25.479 11.731 -6.843 1.00 0.00 O ATOM 0 HA PRO B 36 25.839 14.636 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO B 36 25.298 13.236 -5.190 1.00 0.00 H new ATOM 0 HB3 PRO B 36 25.133 14.979 -5.247 1.00 0.00 H new ATOM 0 HG2 PRO B 36 23.008 12.868 -5.400 1.00 0.00 H new ATOM 0 HG3 PRO B 36 22.960 14.430 -4.606 1.00 0.00 H new ATOM 0 HD2 PRO B 36 21.770 13.937 -7.039 1.00 0.00 H new ATOM 0 HD3 PRO B 36 22.296 15.531 -6.536 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.052 -13.531 -0.760 1.00 1.31 P ATOM 581 OP1 G A 1 13.306 -13.024 -0.146 1.00 1.51 O ATOM 582 OP2 G A 1 12.090 -14.131 -2.118 1.00 1.52 O ATOM 583 O5' G A 1 11.407 -14.591 0.238 1.00 1.09 O ATOM 584 C5' G A 1 12.009 -14.865 1.516 1.00 1.03 C ATOM 585 C4' G A 1 11.215 -15.918 2.253 1.00 0.94 C ATOM 586 O4' G A 1 11.602 -15.890 3.648 1.00 1.02 O ATOM 587 C3' G A 1 9.713 -15.682 2.271 1.00 0.80 C ATOM 588 O3' G A 1 9.105 -16.270 1.125 1.00 0.75 O ATOM 589 C2' G A 1 9.270 -16.384 3.549 1.00 0.78 C ATOM 590 O2' G A 1 9.011 -17.763 3.358 1.00 0.77 O ATOM 591 C1' G A 1 10.483 -16.200 4.458 1.00 0.90 C ATOM 592 N9 G A 1 10.277 -15.099 5.389 1.00 0.90 N ATOM 593 C8 G A 1 10.739 -13.812 5.272 1.00 0.97 C ATOM 594 N7 G A 1 10.363 -13.043 6.256 1.00 0.99 N ATOM 595 C5 G A 1 9.609 -13.877 7.071 1.00 0.90 C ATOM 596 C6 G A 1 8.938 -13.607 8.286 1.00 0.88 C ATOM 597 O6 G A 1 8.876 -12.543 8.902 1.00 0.94 O ATOM 598 N1 G A 1 8.293 -14.737 8.782 1.00 0.82 N ATOM 599 C2 G A 1 8.298 -15.971 8.177 1.00 0.81 C ATOM 600 N2 G A 1 7.619 -16.944 8.803 1.00 0.83 N ATOM 601 N3 G A 1 8.920 -16.234 7.042 1.00 0.83 N ATOM 602 C4 G A 1 9.551 -15.149 6.550 1.00 0.86 C ATOM 0 H5' G A 1 12.053 -13.951 2.109 1.00 1.03 H new ATOM 0 H5'' G A 1 13.035 -15.204 1.377 1.00 1.03 H new ATOM 0 H4' G A 1 11.424 -16.852 1.731 1.00 0.94 H new ATOM 0 H3' G A 1 9.436 -14.628 2.248 1.00 0.80 H new ATOM 0 H2' G A 1 8.337 -15.978 3.940 1.00 0.78 H new ATOM 0 HO2' G A 1 8.952 -17.955 2.399 1.00 0.77 H new ATOM 0 H1' G A 1 10.639 -17.118 5.025 1.00 0.90 H new ATOM 0 H8 G A 1 11.351 -13.471 4.450 1.00 0.97 H new ATOM 0 H1 G A 1 7.779 -14.642 9.658 1.00 0.82 H new ATOM 0 H21 G A 1 7.586 -17.882 8.403 1.00 0.83 H new ATOM 0 H22 G A 1 7.136 -16.746 9.679 1.00 0.83 H new ATOM 614 P C A 2 7.598 -15.876 0.733 1.00 0.69 P ATOM 615 OP1 C A 2 7.185 -16.711 -0.423 1.00 0.84 O ATOM 616 OP2 C A 2 7.538 -14.396 0.629 1.00 0.82 O ATOM 617 O5' C A 2 6.743 -16.321 2.001 1.00 0.58 O ATOM 618 C5' C A 2 5.987 -17.547 1.988 1.00 0.57 C ATOM 619 C4' C A 2 4.703 -17.375 2.763 1.00 0.55 C ATOM 620 O4' C A 2 5.034 -17.147 4.155 1.00 0.54 O ATOM 621 C3' C A 2 3.883 -16.157 2.372 1.00 0.51 C ATOM 622 O3' C A 2 3.008 -16.464 1.292 1.00 0.59 O ATOM 623 C2' C A 2 3.094 -15.859 3.641 1.00 0.53 C ATOM 624 O2' C A 2 1.893 -16.603 3.724 1.00 0.67 O ATOM 625 C1' C A 2 4.061 -16.302 4.742 1.00 0.51 C ATOM 626 N1 C A 2 4.757 -15.173 5.374 1.00 0.45 N ATOM 627 C2 C A 2 4.332 -14.753 6.632 1.00 0.44 C ATOM 628 O2 C A 2 3.387 -15.350 7.170 1.00 0.49 O ATOM 629 N3 C A 2 4.953 -13.712 7.230 1.00 0.43 N ATOM 630 C4 C A 2 5.965 -13.099 6.613 1.00 0.45 C ATOM 631 N4 C A 2 6.551 -12.077 7.240 1.00 0.49 N ATOM 632 C5 C A 2 6.422 -13.509 5.327 1.00 0.47 C ATOM 633 C6 C A 2 5.797 -14.542 4.747 1.00 0.46 C ATOM 0 H5' C A 2 6.578 -18.352 2.424 1.00 0.57 H new ATOM 0 H5'' C A 2 5.765 -17.835 0.961 1.00 0.57 H new ATOM 0 H4' C A 2 4.127 -18.278 2.560 1.00 0.55 H new ATOM 0 H3' C A 2 4.489 -15.317 2.033 1.00 0.51 H new ATOM 0 H2' C A 2 2.783 -14.816 3.698 1.00 0.53 H new ATOM 0 HO2' C A 2 1.191 -16.149 3.212 1.00 0.67 H new ATOM 0 H1' C A 2 3.481 -16.808 5.514 1.00 0.51 H new ATOM 0 H41 C A 2 7.328 -11.585 6.798 1.00 0.49 H new ATOM 0 H42 C A 2 6.222 -11.788 8.161 1.00 0.49 H new ATOM 0 H5 C A 2 7.242 -13.005 4.838 1.00 0.47 H new ATOM 0 H6 C A 2 6.118 -14.881 3.773 1.00 0.46 H new ATOM 645 P C A 3 1.996 -15.342 0.744 1.00 0.67 P ATOM 646 OP1 C A 3 1.172 -15.945 -0.335 1.00 1.20 O ATOM 647 OP2 C A 3 2.795 -14.122 0.463 1.00 1.00 O ATOM 648 O5' C A 3 1.046 -15.035 1.986 1.00 0.89 O ATOM 649 C5' C A 3 0.532 -13.709 2.215 1.00 0.68 C ATOM 650 C4' C A 3 0.056 -13.570 3.642 1.00 0.61 C ATOM 651 O4' C A 3 1.210 -13.655 4.515 1.00 0.67 O ATOM 652 C3' C A 3 -0.565 -12.224 3.967 1.00 0.56 C ATOM 653 O3' C A 3 -1.958 -12.217 3.624 1.00 0.57 O ATOM 654 C2' C A 3 -0.305 -12.075 5.466 1.00 0.57 C ATOM 655 O2' C A 3 -1.275 -12.690 6.288 1.00 0.64 O ATOM 656 C1' C A 3 1.029 -12.807 5.635 1.00 0.62 C ATOM 657 N1 C A 3 2.170 -11.881 5.685 1.00 0.61 N ATOM 658 C2 C A 3 2.371 -11.117 6.837 1.00 0.56 C ATOM 659 O2 C A 3 1.582 -11.246 7.786 1.00 0.55 O ATOM 660 N3 C A 3 3.415 -10.258 6.888 1.00 0.58 N ATOM 661 C4 C A 3 4.240 -10.150 5.843 1.00 0.65 C ATOM 662 N4 C A 3 5.258 -9.292 5.933 1.00 0.71 N ATOM 663 C5 C A 3 4.059 -10.917 4.657 1.00 0.71 C ATOM 664 C6 C A 3 3.021 -11.763 4.622 1.00 0.68 C ATOM 0 H5' C A 3 -0.291 -13.507 1.529 1.00 0.68 H new ATOM 0 H5'' C A 3 1.307 -12.971 2.010 1.00 0.68 H new ATOM 0 H4' C A 3 -0.690 -14.353 3.778 1.00 0.61 H new ATOM 0 H3' C A 3 -0.148 -11.388 3.405 1.00 0.56 H new ATOM 0 H2' C A 3 -0.320 -11.027 5.765 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.453 -13.597 5.961 1.00 0.64 H new ATOM 0 H1' C A 3 0.994 -13.359 6.574 1.00 0.62 H new ATOM 0 H41 C A 3 5.906 -9.186 5.153 1.00 0.71 H new ATOM 0 H42 C A 3 5.388 -8.742 6.782 1.00 0.71 H new ATOM 0 H5 C A 3 4.732 -10.820 3.818 1.00 0.71 H new ATOM 0 H6 C A 3 2.854 -12.362 3.739 1.00 0.68 H new ATOM 676 P C A 4 -3.045 -12.877 4.609 1.00 0.57 P ATOM 677 OP1 C A 4 -2.416 -14.056 5.257 1.00 0.60 O ATOM 678 OP2 C A 4 -4.308 -13.051 3.847 1.00 0.73 O ATOM 679 O5' C A 4 -3.288 -11.743 5.702 1.00 0.61 O ATOM 680 C5' C A 4 -3.149 -10.353 5.352 1.00 0.51 C ATOM 681 C4' C A 4 -3.114 -9.496 6.592 1.00 0.47 C ATOM 682 O4' C A 4 -1.832 -9.680 7.241 1.00 0.55 O ATOM 683 C3' C A 4 -3.185 -8.005 6.314 1.00 0.45 C ATOM 684 O3' C A 4 -4.550 -7.587 6.181 1.00 0.51 O ATOM 685 C2' C A 4 -2.472 -7.397 7.521 1.00 0.47 C ATOM 686 O2' C A 4 -3.304 -7.194 8.646 1.00 0.57 O ATOM 687 C1' C A 4 -1.427 -8.465 7.847 1.00 0.48 C ATOM 688 N1 C A 4 -0.092 -8.124 7.333 1.00 0.43 N ATOM 689 C2 C A 4 0.649 -7.136 7.984 1.00 0.39 C ATOM 690 O2 C A 4 0.158 -6.570 8.974 1.00 0.43 O ATOM 691 N3 C A 4 1.877 -6.820 7.520 1.00 0.38 N ATOM 692 C4 C A 4 2.366 -7.451 6.451 1.00 0.45 C ATOM 693 N4 C A 4 3.577 -7.112 6.023 1.00 0.51 N ATOM 694 C5 C A 4 1.632 -8.458 5.770 1.00 0.51 C ATOM 695 C6 C A 4 0.419 -8.762 6.237 1.00 0.48 C ATOM 0 H5' C A 4 -3.979 -10.048 4.715 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.235 -10.207 4.776 1.00 0.51 H new ATOM 0 H4' C A 4 -3.978 -9.800 7.183 1.00 0.47 H new ATOM 0 H3' C A 4 -2.719 -7.694 5.379 1.00 0.45 H new ATOM 0 H2' C A 4 -2.085 -6.404 7.293 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.781 -8.024 8.854 1.00 0.57 H new ATOM 0 H1' C A 4 -1.360 -8.545 8.932 1.00 0.48 H new ATOM 0 H41 C A 4 3.978 -7.576 5.208 1.00 0.51 H new ATOM 0 H42 C A 4 4.105 -6.388 6.509 1.00 0.51 H new ATOM 0 H5 C A 4 2.040 -8.960 4.905 1.00 0.51 H new ATOM 0 H6 C A 4 -0.167 -9.522 5.742 1.00 0.48 H new ATOM 707 P U A 5 -5.483 -7.420 7.478 1.00 0.57 P ATOM 708 OP1 U A 5 -5.044 -8.391 8.513 1.00 0.77 O ATOM 709 OP2 U A 5 -6.892 -7.438 7.009 1.00 0.62 O ATOM 710 O5' U A 5 -5.156 -5.943 7.973 1.00 0.49 O ATOM 711 C5' U A 5 -4.399 -5.043 7.138 1.00 0.45 C ATOM 712 C4' U A 5 -3.673 -4.028 7.987 1.00 0.41 C ATOM 713 O4' U A 5 -2.352 -4.546 8.265 1.00 0.47 O ATOM 714 C3' U A 5 -3.386 -2.701 7.307 1.00 0.35 C ATOM 715 O3' U A 5 -4.489 -1.806 7.430 1.00 0.36 O ATOM 716 C2' U A 5 -2.191 -2.178 8.093 1.00 0.41 C ATOM 717 O2' U A 5 -2.567 -1.451 9.249 1.00 0.50 O ATOM 718 C1' U A 5 -1.472 -3.465 8.493 1.00 0.43 C ATOM 719 N1 U A 5 -0.252 -3.675 7.706 1.00 0.43 N ATOM 720 C2 U A 5 0.794 -2.820 7.951 1.00 0.40 C ATOM 721 O2 U A 5 0.727 -1.922 8.775 1.00 0.39 O ATOM 722 N3 U A 5 1.917 -3.049 7.200 1.00 0.43 N ATOM 723 C4 U A 5 2.094 -4.023 6.247 1.00 0.50 C ATOM 724 O4 U A 5 3.173 -4.097 5.653 1.00 0.54 O ATOM 725 C5 U A 5 0.961 -4.872 6.048 1.00 0.55 C ATOM 726 C6 U A 5 -0.152 -4.676 6.767 1.00 0.51 C ATOM 0 H5' U A 5 -5.066 -4.535 6.441 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.683 -5.606 6.540 1.00 0.45 H new ATOM 0 H4' U A 5 -4.325 -3.864 8.845 1.00 0.41 H new ATOM 0 H3' U A 5 -3.205 -2.800 6.237 1.00 0.35 H new ATOM 0 H2' U A 5 -1.590 -1.480 7.510 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.517 -1.218 9.194 1.00 0.50 H new ATOM 0 H1' U A 5 -1.186 -3.393 9.542 1.00 0.43 H new ATOM 0 H3 U A 5 2.709 -2.428 7.367 1.00 0.43 H new ATOM 0 H5 U A 5 1.002 -5.669 5.320 1.00 0.55 H new ATOM 0 H6 U A 5 -0.999 -5.325 6.604 1.00 0.51 H new ATOM 737 P G A 6 -4.786 -0.742 6.260 1.00 0.43 P ATOM 738 OP1 G A 6 -6.257 -0.655 6.081 1.00 0.65 O ATOM 739 OP2 G A 6 -3.931 -1.116 5.106 1.00 0.54 O ATOM 740 O5' G A 6 -4.276 0.653 6.842 1.00 0.43 O ATOM 741 C5' G A 6 -2.929 0.817 7.338 1.00 0.47 C ATOM 742 C4' G A 6 -2.109 1.645 6.372 1.00 0.47 C ATOM 743 O4' G A 6 -0.724 1.218 6.444 1.00 0.53 O ATOM 744 C3' G A 6 -2.481 1.446 4.916 1.00 0.39 C ATOM 745 O3' G A 6 -3.540 2.328 4.555 1.00 0.41 O ATOM 746 C2' G A 6 -1.193 1.798 4.180 1.00 0.48 C ATOM 747 O2' G A 6 -1.080 3.182 3.902 1.00 0.59 O ATOM 748 C1' G A 6 -0.112 1.367 5.173 1.00 0.49 C ATOM 749 N9 G A 6 0.502 0.093 4.814 1.00 0.50 N ATOM 750 C8 G A 6 -0.070 -1.148 4.921 1.00 0.60 C ATOM 751 N7 G A 6 0.720 -2.114 4.539 1.00 0.63 N ATOM 752 C5 G A 6 1.886 -1.470 4.147 1.00 0.54 C ATOM 753 C6 G A 6 3.101 -2.000 3.634 1.00 0.55 C ATOM 754 O6 G A 6 3.395 -3.180 3.422 1.00 0.61 O ATOM 755 N1 G A 6 4.026 -0.998 3.361 1.00 0.55 N ATOM 756 C2 G A 6 3.808 0.344 3.558 1.00 0.57 C ATOM 757 N2 G A 6 4.825 1.163 3.233 1.00 0.70 N ATOM 758 N3 G A 6 2.680 0.852 4.037 1.00 0.53 N ATOM 759 C4 G A 6 1.770 -0.107 4.308 1.00 0.49 C ATOM 0 H5' G A 6 -2.464 -0.159 7.476 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.950 1.301 8.315 1.00 0.47 H new ATOM 0 H4' G A 6 -2.287 2.680 6.662 1.00 0.47 H new ATOM 0 H3' G A 6 -2.836 0.441 4.686 1.00 0.39 H new ATOM 0 H2' G A 6 -1.132 1.314 3.205 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.234 3.354 3.438 1.00 0.59 H new ATOM 0 H1' G A 6 0.670 2.126 5.172 1.00 0.49 H new ATOM 0 H8 G A 6 -1.074 -1.310 5.285 1.00 0.60 H new ATOM 0 H1 G A 6 4.932 -1.280 2.987 1.00 0.55 H new ATOM 0 H21 G A 6 4.727 2.171 3.355 1.00 0.70 H new ATOM 0 H22 G A 6 5.694 0.776 2.864 1.00 0.70 H new ATOM 771 P A A 7 -4.373 2.060 3.211 1.00 0.43 P ATOM 772 OP1 A A 7 -4.961 3.356 2.787 1.00 0.74 O ATOM 773 OP2 A A 7 -5.260 0.891 3.435 1.00 0.66 O ATOM 774 O5' A A 7 -3.259 1.650 2.151 1.00 0.33 O ATOM 775 C5' A A 7 -3.606 1.381 0.783 1.00 0.29 C ATOM 776 C4' A A 7 -2.568 1.966 -0.141 1.00 0.23 C ATOM 777 O4' A A 7 -2.603 3.406 -0.046 1.00 0.23 O ATOM 778 C3' A A 7 -1.131 1.635 0.215 1.00 0.25 C ATOM 779 O3' A A 7 -0.776 0.365 -0.312 1.00 0.27 O ATOM 780 C2' A A 7 -0.351 2.754 -0.466 1.00 0.24 C ATOM 781 O2' A A 7 -0.035 2.472 -1.815 1.00 0.25 O ATOM 782 C1' A A 7 -1.333 3.921 -0.395 1.00 0.21 C ATOM 783 N9 A A 7 -0.941 4.920 0.599 1.00 0.24 N ATOM 784 C8 A A 7 -1.520 5.188 1.814 1.00 0.29 C ATOM 785 N7 A A 7 -0.924 6.146 2.481 1.00 0.33 N ATOM 786 C5 A A 7 0.116 6.535 1.649 1.00 0.30 C ATOM 787 C6 A A 7 1.120 7.510 1.780 1.00 0.34 C ATOM 788 N6 A A 7 1.247 8.307 2.843 1.00 0.39 N ATOM 789 N1 A A 7 2.003 7.641 0.765 1.00 0.35 N ATOM 790 C2 A A 7 1.876 6.842 -0.303 1.00 0.32 C ATOM 791 N3 A A 7 0.977 5.892 -0.539 1.00 0.27 N ATOM 792 C4 A A 7 0.116 5.788 0.487 1.00 0.25 C ATOM 0 H5' A A 7 -4.584 1.805 0.558 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.681 0.305 0.624 1.00 0.29 H new ATOM 0 H4' A A 7 -2.818 1.548 -1.116 1.00 0.23 H new ATOM 0 H3' A A 7 -0.942 1.576 1.287 1.00 0.25 H new ATOM 0 H2' A A 7 0.613 2.929 0.011 1.00 0.24 H new ATOM 0 HO2' A A 7 0.463 3.224 -2.198 1.00 0.25 H new ATOM 0 H1' A A 7 -1.347 4.413 -1.367 1.00 0.21 H new ATOM 0 H8 A A 7 -2.385 4.659 2.186 1.00 0.29 H new ATOM 0 H61 A A 7 1.999 8.996 2.877 1.00 0.39 H new ATOM 0 H62 A A 7 0.592 8.227 3.621 1.00 0.39 H new ATOM 0 H2 A A 7 2.608 6.991 -1.083 1.00 0.32 H new ATOM 804 P A A 8 0.051 -0.666 0.596 1.00 0.37 P ATOM 805 OP1 A A 8 -0.348 -2.040 0.208 1.00 0.44 O ATOM 806 OP2 A A 8 -0.090 -0.233 2.008 1.00 0.47 O ATOM 807 O5' A A 8 1.561 -0.427 0.152 1.00 0.38 O ATOM 808 C5' A A 8 1.873 0.036 -1.174 1.00 0.39 C ATOM 809 C4' A A 8 2.935 1.105 -1.118 1.00 0.43 C ATOM 810 O4' A A 8 2.368 2.302 -0.531 1.00 0.37 O ATOM 811 C3' A A 8 4.097 0.776 -0.199 1.00 0.53 C ATOM 812 O3' A A 8 5.081 -0.024 -0.860 1.00 0.66 O ATOM 813 C2' A A 8 4.646 2.155 0.148 1.00 0.50 C ATOM 814 O2' A A 8 5.528 2.661 -0.835 1.00 0.58 O ATOM 815 C1' A A 8 3.373 3.003 0.181 1.00 0.38 C ATOM 816 N9 A A 8 2.888 3.225 1.541 1.00 0.36 N ATOM 817 C8 A A 8 1.825 2.618 2.158 1.00 0.42 C ATOM 818 N7 A A 8 1.625 3.026 3.389 1.00 0.47 N ATOM 819 C5 A A 8 2.629 3.961 3.597 1.00 0.41 C ATOM 820 C6 A A 8 2.968 4.755 4.707 1.00 0.44 C ATOM 821 N6 A A 8 2.302 4.735 5.863 1.00 0.54 N ATOM 822 N1 A A 8 4.029 5.582 4.586 1.00 0.40 N ATOM 823 C2 A A 8 4.699 5.601 3.427 1.00 0.36 C ATOM 824 N3 A A 8 4.476 4.904 2.315 1.00 0.35 N ATOM 825 C4 A A 8 3.415 4.093 2.468 1.00 0.35 C ATOM 0 H5' A A 8 0.975 0.430 -1.650 1.00 0.39 H new ATOM 0 H5'' A A 8 2.218 -0.797 -1.786 1.00 0.39 H new ATOM 0 H4' A A 8 3.283 1.210 -2.146 1.00 0.43 H new ATOM 0 H3' A A 8 3.804 0.192 0.674 1.00 0.53 H new ATOM 0 H2' A A 8 5.228 2.147 1.070 1.00 0.50 H new ATOM 0 HO2' A A 8 5.075 2.678 -1.704 1.00 0.58 H new ATOM 0 H1' A A 8 3.599 3.974 -0.260 1.00 0.38 H new ATOM 0 H8 A A 8 1.209 1.873 1.676 1.00 0.42 H new ATOM 0 H61 A A 8 2.598 5.336 6.632 1.00 0.54 H new ATOM 0 H62 A A 8 1.497 4.119 5.977 1.00 0.54 H new ATOM 0 H2 A A 8 5.540 6.278 3.389 1.00 0.36 H new ATOM 837 P A A 9 5.165 -0.032 -2.467 1.00 1.47 P ATOM 838 OP1 A A 9 5.302 1.377 -2.910 1.00 2.33 O ATOM 839 OP2 A A 9 4.051 -0.861 -2.992 1.00 2.35 O ATOM 840 O5' A A 9 6.536 -0.782 -2.777 1.00 1.08 O ATOM 841 C5' A A 9 7.669 -0.626 -1.907 1.00 1.04 C ATOM 842 C4' A A 9 8.469 0.588 -2.308 1.00 1.09 C ATOM 843 O4' A A 9 7.953 1.089 -3.565 1.00 1.26 O ATOM 844 C3' A A 9 8.325 1.766 -1.366 1.00 0.99 C ATOM 845 O3' A A 9 9.232 1.658 -0.278 1.00 1.17 O ATOM 846 C2' A A 9 8.663 2.951 -2.261 1.00 1.26 C ATOM 847 O2' A A 9 10.056 3.173 -2.365 1.00 1.57 O ATOM 848 C1' A A 9 8.103 2.497 -3.612 1.00 1.29 C ATOM 849 N9 A A 9 6.788 3.070 -3.894 1.00 0.00 N ATOM 850 C8 A A 9 6.071 3.945 -3.117 1.00 0.00 C ATOM 851 N7 A A 9 4.914 4.284 -3.632 1.00 0.00 N ATOM 852 C5 A A 9 4.866 3.582 -4.829 1.00 0.00 C ATOM 853 C6 A A 9 3.894 3.505 -5.841 1.00 0.00 C ATOM 854 N6 A A 9 2.737 4.172 -5.812 1.00 0.00 N ATOM 855 N1 A A 9 4.153 2.707 -6.898 1.00 0.00 N ATOM 856 C2 A A 9 5.312 2.037 -6.927 1.00 0.00 C ATOM 857 N3 A A 9 6.302 2.028 -6.039 1.00 0.00 N ATOM 858 C4 A A 9 6.014 2.831 -5.002 1.00 0.00 C ATOM 0 H5' A A 9 8.297 -1.516 -1.952 1.00 1.04 H new ATOM 0 H5'' A A 9 7.333 -0.525 -0.875 1.00 1.04 H new ATOM 0 H4' A A 9 9.506 0.252 -2.329 1.00 1.09 H new ATOM 0 H3' A A 9 7.339 1.844 -0.908 1.00 0.99 H new ATOM 0 H2' A A 9 8.257 3.890 -1.884 1.00 1.26 H new ATOM 0 HO2' A A 9 10.519 2.681 -1.655 1.00 1.57 H new ATOM 0 H1' A A 9 8.792 2.826 -4.390 1.00 1.29 H new ATOM 0 H8 A A 9 6.427 4.320 -2.169 1.00 0.00 H new ATOM 0 H61 A A 9 2.072 4.073 -6.579 1.00 0.00 H new ATOM 0 H62 A A 9 2.519 4.780 -5.023 1.00 0.00 H new ATOM 0 H2 A A 9 5.465 1.415 -7.796 1.00 0.00 H new ATOM 870 P A A 10 8.835 0.774 1.004 1.00 1.33 P ATOM 871 OP1 A A 10 9.219 -0.635 0.733 1.00 2.11 O ATOM 872 OP2 A A 10 7.423 1.096 1.371 1.00 2.10 O ATOM 873 O5' A A 10 9.781 1.335 2.155 1.00 0.79 O ATOM 874 C5' A A 10 9.323 1.377 3.512 1.00 0.59 C ATOM 875 C4' A A 10 9.554 2.745 4.104 1.00 0.54 C ATOM 876 O4' A A 10 8.357 3.535 3.912 1.00 0.50 O ATOM 877 C3' A A 10 9.771 2.724 5.604 1.00 0.50 C ATOM 878 O3' A A 10 11.155 2.553 5.900 1.00 0.61 O ATOM 879 C2' A A 10 9.239 4.076 6.064 1.00 0.50 C ATOM 880 O2' A A 10 10.214 5.099 5.993 1.00 0.61 O ATOM 881 C1' A A 10 8.122 4.344 5.050 1.00 0.48 C ATOM 882 N9 A A 10 6.806 3.966 5.549 1.00 0.45 N ATOM 883 C8 A A 10 5.938 3.085 4.961 1.00 0.45 C ATOM 884 N7 A A 10 4.820 2.921 5.624 1.00 0.51 N ATOM 885 C5 A A 10 4.964 3.753 6.727 1.00 0.54 C ATOM 886 C6 A A 10 4.125 4.030 7.820 1.00 0.64 C ATOM 887 N6 A A 10 2.920 3.479 7.989 1.00 0.72 N ATOM 888 N1 A A 10 4.572 4.905 8.747 1.00 0.69 N ATOM 889 C2 A A 10 5.782 5.457 8.578 1.00 0.66 C ATOM 890 N3 A A 10 6.659 5.276 7.595 1.00 0.58 N ATOM 891 C4 A A 10 6.184 4.403 6.692 1.00 0.51 C ATOM 0 H5' A A 10 9.847 0.625 4.102 1.00 0.59 H new ATOM 0 H5'' A A 10 8.262 1.131 3.552 1.00 0.59 H new ATOM 0 H4' A A 10 10.442 3.142 3.612 1.00 0.54 H new ATOM 0 H3' A A 10 9.267 1.901 6.110 1.00 0.50 H new ATOM 0 H2' A A 10 8.921 4.065 7.107 1.00 0.50 H new ATOM 0 HO2' A A 10 9.823 5.945 6.297 1.00 0.61 H new ATOM 0 H1' A A 10 8.131 5.413 4.837 1.00 0.48 H new ATOM 0 H8 A A 10 6.155 2.572 4.036 1.00 0.45 H new ATOM 0 H61 A A 10 2.358 3.722 8.805 1.00 0.72 H new ATOM 0 H62 A A 10 2.562 2.816 7.302 1.00 0.72 H new ATOM 0 H2 A A 10 6.088 6.147 9.350 1.00 0.66 H new ATOM 903 P A A 11 11.663 2.623 7.423 1.00 0.62 P ATOM 904 OP1 A A 11 12.502 3.842 7.555 1.00 0.65 O ATOM 905 OP2 A A 11 12.231 1.300 7.787 1.00 0.77 O ATOM 906 O5' A A 11 10.332 2.846 8.268 1.00 0.58 O ATOM 907 C5' A A 11 10.359 3.565 9.516 1.00 0.56 C ATOM 908 C4' A A 11 8.995 3.534 10.163 1.00 0.49 C ATOM 909 O4' A A 11 8.010 3.346 9.118 1.00 0.46 O ATOM 910 C3' A A 11 8.774 2.373 11.117 1.00 0.47 C ATOM 911 O3' A A 11 9.205 2.738 12.434 1.00 0.51 O ATOM 912 C2' A A 11 7.268 2.149 11.039 1.00 0.43 C ATOM 913 O2' A A 11 6.540 2.981 11.921 1.00 0.47 O ATOM 914 C1' A A 11 6.947 2.544 9.598 1.00 0.42 C ATOM 915 N9 A A 11 6.831 1.401 8.694 1.00 0.41 N ATOM 916 C8 A A 11 7.783 0.933 7.823 1.00 0.46 C ATOM 917 N7 A A 11 7.387 -0.095 7.111 1.00 0.47 N ATOM 918 C5 A A 11 6.089 -0.323 7.545 1.00 0.42 C ATOM 919 C6 A A 11 5.117 -1.275 7.182 1.00 0.43 C ATOM 920 N6 A A 11 5.299 -2.225 6.255 1.00 0.49 N ATOM 921 N1 A A 11 3.927 -1.221 7.815 1.00 0.40 N ATOM 922 C2 A A 11 3.729 -0.279 8.743 1.00 0.37 C ATOM 923 N3 A A 11 4.558 0.668 9.170 1.00 0.37 N ATOM 924 C4 A A 11 5.735 0.591 8.524 1.00 0.39 C ATOM 0 H5' A A 11 10.665 4.597 9.343 1.00 0.56 H new ATOM 0 H5'' A A 11 11.097 3.121 10.184 1.00 0.56 H new ATOM 0 H4' A A 11 8.912 4.467 10.720 1.00 0.49 H new ATOM 0 H3' A A 11 9.334 1.471 10.869 1.00 0.47 H new ATOM 0 H2' A A 11 6.998 1.129 11.314 1.00 0.43 H new ATOM 0 HO2' A A 11 6.475 2.550 12.799 1.00 0.47 H new ATOM 0 H1' A A 11 5.987 3.060 9.614 1.00 0.42 H new ATOM 0 H8 A A 11 8.766 1.370 7.732 1.00 0.46 H new ATOM 0 H61 A A 11 4.548 -2.882 6.044 1.00 0.49 H new ATOM 0 H62 A A 11 6.189 -2.291 5.760 1.00 0.49 H new ATOM 0 H2 A A 11 2.757 -0.289 9.213 1.00 0.37 H new ATOM 936 P G A 12 8.538 2.051 13.732 1.00 0.56 P ATOM 937 OP1 G A 12 7.088 1.877 13.495 1.00 0.65 O ATOM 938 OP2 G A 12 8.990 2.839 14.906 1.00 0.68 O ATOM 939 O5' G A 12 9.240 0.620 13.841 1.00 0.50 O ATOM 940 C5' G A 12 8.677 -0.565 13.224 1.00 0.47 C ATOM 941 C4' G A 12 7.169 -0.536 13.282 1.00 0.42 C ATOM 942 O4' G A 12 6.690 -0.351 11.930 1.00 0.40 O ATOM 943 C3' G A 12 6.512 -1.821 13.751 1.00 0.39 C ATOM 944 O3' G A 12 6.395 -1.803 15.179 1.00 0.43 O ATOM 945 C2' G A 12 5.156 -1.786 13.050 1.00 0.35 C ATOM 946 O2' G A 12 4.182 -1.059 13.775 1.00 0.37 O ATOM 947 C1' G A 12 5.478 -1.052 11.746 1.00 0.35 C ATOM 948 N9 G A 12 5.667 -1.948 10.611 1.00 0.33 N ATOM 949 C8 G A 12 6.771 -2.012 9.796 1.00 0.36 C ATOM 950 N7 G A 12 6.657 -2.896 8.845 1.00 0.36 N ATOM 951 C5 G A 12 5.402 -3.455 9.045 1.00 0.33 C ATOM 952 C6 G A 12 4.726 -4.468 8.322 1.00 0.36 C ATOM 953 O6 G A 12 5.116 -5.094 7.329 1.00 0.40 O ATOM 954 N1 G A 12 3.470 -4.732 8.858 1.00 0.36 N ATOM 955 C2 G A 12 2.938 -4.101 9.957 1.00 0.34 C ATOM 956 N2 G A 12 1.711 -4.500 10.326 1.00 0.37 N ATOM 957 N3 G A 12 3.559 -3.154 10.642 1.00 0.31 N ATOM 958 C4 G A 12 4.778 -2.882 10.132 1.00 0.31 C ATOM 0 H5' G A 12 9.048 -1.456 13.732 1.00 0.47 H new ATOM 0 H5'' G A 12 9.004 -0.630 12.186 1.00 0.47 H new ATOM 0 H4' G A 12 6.918 0.252 13.992 1.00 0.42 H new ATOM 0 H3' G A 12 7.065 -2.730 13.516 1.00 0.39 H new ATOM 0 H2' G A 12 4.734 -2.784 12.927 1.00 0.35 H new ATOM 0 HO2' G A 12 3.504 -1.676 14.121 1.00 0.37 H new ATOM 0 H1' G A 12 4.632 -0.402 11.524 1.00 0.35 H new ATOM 0 H8 G A 12 7.645 -1.392 9.930 1.00 0.36 H new ATOM 0 H1 G A 12 2.902 -5.446 8.402 1.00 0.36 H new ATOM 0 H21 G A 12 1.257 -4.073 11.134 1.00 0.37 H new ATOM 0 H22 G A 12 1.232 -5.230 9.799 1.00 0.37 H new ATOM 970 P G A 13 5.126 -2.485 15.903 1.00 0.51 P ATOM 971 OP1 G A 13 4.230 -3.071 14.879 1.00 0.57 O ATOM 972 OP2 G A 13 4.585 -1.493 16.867 1.00 0.59 O ATOM 973 O5' G A 13 5.758 -3.683 16.742 1.00 0.57 O ATOM 974 C5' G A 13 6.096 -4.929 16.105 1.00 0.62 C ATOM 975 C4' G A 13 4.846 -5.723 15.818 1.00 0.60 C ATOM 976 O4' G A 13 4.323 -5.275 14.544 1.00 0.59 O ATOM 977 C3' G A 13 5.084 -7.212 15.629 1.00 0.59 C ATOM 978 O3' G A 13 5.040 -7.912 16.881 1.00 0.66 O ATOM 979 C2' G A 13 3.960 -7.627 14.683 1.00 0.57 C ATOM 980 O2' G A 13 2.746 -7.954 15.328 1.00 0.63 O ATOM 981 C1' G A 13 3.762 -6.366 13.843 1.00 0.54 C ATOM 982 N9 G A 13 4.433 -6.469 12.556 1.00 0.50 N ATOM 983 C8 G A 13 5.551 -5.788 12.143 1.00 0.54 C ATOM 984 N7 G A 13 5.933 -6.115 10.939 1.00 0.56 N ATOM 985 C5 G A 13 5.007 -7.067 10.533 1.00 0.50 C ATOM 986 C6 G A 13 4.903 -7.790 9.319 1.00 0.53 C ATOM 987 O6 G A 13 5.634 -7.729 8.324 1.00 0.60 O ATOM 988 N1 G A 13 3.810 -8.656 9.328 1.00 0.51 N ATOM 989 C2 G A 13 2.936 -8.804 10.376 1.00 0.48 C ATOM 990 N2 G A 13 1.945 -9.690 10.197 1.00 0.52 N ATOM 991 N3 G A 13 3.024 -8.137 11.512 1.00 0.47 N ATOM 992 C4 G A 13 4.075 -7.293 11.521 1.00 0.47 C ATOM 0 H5' G A 13 6.762 -5.505 16.747 1.00 0.62 H new ATOM 0 H5'' G A 13 6.635 -4.737 15.177 1.00 0.62 H new ATOM 0 H4' G A 13 4.189 -5.571 16.674 1.00 0.60 H new ATOM 0 H3' G A 13 6.069 -7.447 15.227 1.00 0.59 H new ATOM 0 H2' G A 13 4.224 -8.531 14.133 1.00 0.57 H new ATOM 0 HO2' G A 13 2.438 -7.187 15.855 1.00 0.63 H new ATOM 0 H1' G A 13 2.694 -6.232 13.669 1.00 0.54 H new ATOM 0 H8 G A 13 6.062 -5.057 12.752 1.00 0.54 H new ATOM 0 H1 G A 13 3.648 -9.221 8.494 1.00 0.51 H new ATOM 0 H21 G A 13 1.262 -9.847 10.938 1.00 0.52 H new ATOM 0 H22 G A 13 1.875 -10.206 9.320 1.00 0.52 H new ATOM 1004 P G A 14 3.635 -8.167 17.625 1.00 0.74 P ATOM 1005 OP1 G A 14 2.730 -7.037 17.290 1.00 0.80 O ATOM 1006 OP2 G A 14 3.920 -8.477 19.048 1.00 0.90 O ATOM 1007 O5' G A 14 3.072 -9.493 16.941 1.00 0.68 O ATOM 1008 C5' G A 14 1.796 -10.043 17.329 1.00 0.70 C ATOM 1009 C4' G A 14 1.520 -11.323 16.567 1.00 0.68 C ATOM 1010 O4' G A 14 1.381 -11.013 15.157 1.00 0.67 O ATOM 1011 C3' G A 14 2.640 -12.343 16.588 1.00 0.67 C ATOM 1012 O3' G A 14 2.595 -13.131 17.772 1.00 0.77 O ATOM 1013 C2' G A 14 2.336 -13.182 15.352 1.00 0.67 C ATOM 1014 O2' G A 14 1.354 -14.172 15.588 1.00 0.80 O ATOM 1015 C1' G A 14 1.784 -12.132 14.385 1.00 0.61 C ATOM 1016 N9 G A 14 2.803 -11.687 13.441 1.00 0.50 N ATOM 1017 C8 G A 14 3.688 -10.656 13.619 1.00 0.50 C ATOM 1018 N7 G A 14 4.506 -10.503 12.615 1.00 0.47 N ATOM 1019 C5 G A 14 4.135 -11.492 11.716 1.00 0.41 C ATOM 1020 C6 G A 14 4.665 -11.818 10.444 1.00 0.40 C ATOM 1021 O6 G A 14 5.598 -11.275 9.842 1.00 0.45 O ATOM 1022 N1 G A 14 3.995 -12.895 9.867 1.00 0.41 N ATOM 1023 C2 G A 14 2.947 -13.567 10.451 1.00 0.46 C ATOM 1024 N2 G A 14 2.427 -14.580 9.743 1.00 0.55 N ATOM 1025 N3 G A 14 2.445 -13.272 11.639 1.00 0.49 N ATOM 1026 C4 G A 14 3.082 -12.231 12.210 1.00 0.44 C ATOM 0 H5' G A 14 1.006 -9.318 17.134 1.00 0.70 H new ATOM 0 H5'' G A 14 1.789 -10.241 18.401 1.00 0.70 H new ATOM 0 H4' G A 14 0.636 -11.735 17.054 1.00 0.68 H new ATOM 0 H3' G A 14 3.636 -11.901 16.580 1.00 0.67 H new ATOM 0 H2' G A 14 3.210 -13.730 14.999 1.00 0.67 H new ATOM 0 HO2' G A 14 1.196 -14.679 14.764 1.00 0.80 H new ATOM 0 H1' G A 14 0.958 -12.567 13.821 1.00 0.61 H new ATOM 0 H8 G A 14 3.706 -10.033 14.501 1.00 0.50 H new ATOM 0 H1 G A 14 4.304 -13.207 8.946 1.00 0.41 H new ATOM 0 H21 G A 14 1.647 -15.119 10.120 1.00 0.55 H new ATOM 0 H22 G A 14 2.811 -14.812 8.827 1.00 0.55 H new ATOM 1038 P C A 15 3.943 -13.814 18.320 1.00 0.87 P ATOM 1039 OP1 C A 15 3.603 -14.517 19.583 1.00 0.91 O ATOM 1040 OP2 C A 15 5.020 -12.792 18.316 1.00 1.02 O ATOM 1041 O5' C A 15 4.287 -14.909 17.216 1.00 0.85 O ATOM 1042 C5' C A 15 3.354 -15.960 16.913 1.00 0.94 C ATOM 1043 C4' C A 15 3.875 -16.815 15.782 1.00 0.97 C ATOM 1044 O4' C A 15 3.779 -16.081 14.537 1.00 0.84 O ATOM 1045 C3' C A 15 5.353 -17.141 15.876 1.00 1.09 C ATOM 1046 O3' C A 15 5.572 -18.277 16.722 1.00 1.31 O ATOM 1047 C2' C A 15 5.717 -17.463 14.430 1.00 1.09 C ATOM 1048 O2' C A 15 5.491 -18.819 14.094 1.00 1.30 O ATOM 1049 C1' C A 15 4.765 -16.560 13.642 1.00 0.89 C ATOM 1050 N1 C A 15 5.458 -15.409 13.047 1.00 0.75 N ATOM 1051 C2 C A 15 6.145 -15.591 11.844 1.00 0.77 C ATOM 1052 O2 C A 15 6.141 -16.709 11.310 1.00 0.89 O ATOM 1053 N3 C A 15 6.795 -14.549 11.293 1.00 0.70 N ATOM 1054 C4 C A 15 6.780 -13.363 11.892 1.00 0.66 C ATOM 1055 N4 C A 15 7.438 -12.373 11.304 1.00 0.71 N ATOM 1056 C5 C A 15 6.089 -13.144 13.119 1.00 0.64 C ATOM 1057 C6 C A 15 5.445 -14.186 13.658 1.00 0.66 C ATOM 0 H5' C A 15 2.390 -15.532 16.639 1.00 0.94 H new ATOM 0 H5'' C A 15 3.190 -16.576 17.797 1.00 0.94 H new ATOM 0 H4' C A 15 3.277 -17.725 15.834 1.00 0.97 H new ATOM 0 H3' C A 15 5.949 -16.335 16.305 1.00 1.09 H new ATOM 0 H2' C A 15 6.775 -17.300 14.227 1.00 1.09 H new ATOM 0 HO2' C A 15 5.496 -19.363 14.909 1.00 1.30 H new ATOM 0 HO3' C A 15 6.532 -18.471 16.767 1.00 1.31 H new ATOM 0 H1' C A 15 4.331 -17.142 12.829 1.00 0.89 H new ATOM 0 H41 C A 15 7.452 -11.446 11.730 1.00 0.71 H new ATOM 0 H42 C A 15 7.930 -12.538 10.426 1.00 0.71 H new ATOM 0 H5 C A 15 6.085 -12.175 13.595 1.00 0.64 H new ATOM 0 H6 C A 15 4.909 -14.059 14.587 1.00 0.66 H new TER 1069 C A 15