USER MOD reduce.3.24.130724 H: found=0, std=0, add=458, rem=0, adj=20 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 50:sc= -5.96! USER MOD Single : A 2 C O2' : rot -18:sc= 0.171 USER MOD Single : A 3 C O2' : rot 45:sc= -6.59! USER MOD Single : A 4 C O2' : rot 53:sc= -5.89! USER MOD Single : A 5 U O2' : rot -5:sc= -2.61! USER MOD Single : A 6 G O2' : rot 148:sc= 0.917 USER MOD Single : A 7 A O2' : rot -116:sc= -3.46! USER MOD Single : A 8 A O2' : rot 57:sc= -2.15! USER MOD Single : A 9 A O2' : rot -15:sc= 0.145 USER MOD Single : A 10 A O2' : rot -13:sc= 0.134 USER MOD Single : A 11 A O2' : rot -96:sc= -0.618! USER MOD Single : A 12 G O2' : rot -22:sc= 0.151 USER MOD Single : A 13 G O2' : rot 56:sc= -3.46! USER MOD Single : A 14 G O2' : rot 180:sc= -2.1! USER MOD Single : A 15 C O2' : rot -23:sc= 0.196 USER MOD Single : A 15 C O3' : rot 180:sc= 0.169 USER MOD Single : B 4 GLN : amide:sc= -1.95 K(o=-2,f=-2.9!) 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= -2.96! C(o=-4.1!,f=-3!) USER MOD Single : B 17 GLN : amide:sc= -0.157 X(o=-0.16,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -6.13! C(o=-7.1!,f=-6.1!) USER MOD Single : B 29 SER OG : rot 180:sc= 0 USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.846 -9.826 -0.073 1.00 0.76 N ATOM 2 CA ASP B 2 9.324 -10.943 0.771 1.00 0.88 C ATOM 3 C ASP B 2 7.821 -11.105 0.560 1.00 0.68 C ATOM 4 O ASP B 2 7.262 -10.643 -0.416 1.00 0.66 O ATOM 5 CB ASP B 2 9.611 -10.535 2.220 1.00 1.25 C ATOM 6 CG ASP B 2 11.070 -10.090 2.359 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.920 -10.716 1.750 1.00 2.37 O ATOM 8 OD2 ASP B 2 11.310 -9.131 3.074 1.00 2.35 O ATOM 0 HA ASP B 2 9.793 -11.894 0.517 1.00 0.88 H new ATOM 0 HB2 ASP B 2 8.945 -9.725 2.517 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.412 -11.373 2.889 1.00 1.25 H new ATOM 15 N ALA B 3 7.168 -11.762 1.474 1.00 0.63 N ATOM 16 CA ALA B 3 5.695 -11.968 1.349 1.00 0.58 C ATOM 17 C ALA B 3 4.973 -10.624 1.315 1.00 0.63 C ATOM 18 O ALA B 3 3.909 -10.498 0.740 1.00 0.61 O ATOM 19 CB ALA B 3 5.298 -12.763 2.592 1.00 0.75 C ATOM 0 H ALA B 3 7.591 -12.169 2.308 1.00 0.63 H new ATOM 0 HA ALA B 3 5.428 -12.491 0.431 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.225 -12.955 2.574 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.836 -13.711 2.605 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.549 -12.191 3.485 1.00 0.75 H new ATOM 25 N GLN B 4 5.540 -9.618 1.918 1.00 0.75 N ATOM 26 CA GLN B 4 4.876 -8.286 1.905 1.00 0.89 C ATOM 27 C GLN B 4 4.997 -7.670 0.524 1.00 0.79 C ATOM 28 O GLN B 4 4.008 -7.332 -0.099 1.00 0.81 O ATOM 29 CB GLN B 4 5.616 -7.440 2.940 1.00 1.09 C ATOM 30 CG GLN B 4 4.830 -6.153 3.180 1.00 1.29 C ATOM 31 CD GLN B 4 5.643 -5.194 4.044 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.155 -5.571 5.079 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.783 -3.959 3.655 1.00 0.94 N ATOM 0 H GLN B 4 6.429 -9.659 2.416 1.00 0.75 H new ATOM 0 HA GLN B 4 3.814 -8.354 2.141 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.725 -7.995 3.872 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.621 -7.208 2.588 1.00 1.09 H new ATOM 0 HG2 GLN B 4 4.590 -5.681 2.227 1.00 1.29 H new ATOM 0 HG3 GLN B 4 3.883 -6.382 3.670 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.352 -3.646 2.785 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.324 -3.305 4.220 1.00 0.94 H new ATOM 42 N THR B 5 6.195 -7.542 0.025 1.00 0.76 N ATOM 43 CA THR B 5 6.365 -6.975 -1.343 1.00 0.79 C ATOM 44 C THR B 5 5.397 -7.698 -2.274 1.00 0.59 C ATOM 45 O THR B 5 4.845 -7.126 -3.194 1.00 0.57 O ATOM 46 CB THR B 5 7.815 -7.263 -1.732 1.00 0.94 C ATOM 47 OG1 THR B 5 8.687 -6.571 -0.849 1.00 1.26 O ATOM 48 CG2 THR B 5 8.055 -6.793 -3.165 1.00 0.94 C ATOM 0 H THR B 5 7.059 -7.803 0.501 1.00 0.76 H new ATOM 0 HA THR B 5 6.160 -5.906 -1.397 1.00 0.79 H new ATOM 0 HB THR B 5 8.008 -8.334 -1.664 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.617 -6.756 -1.096 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.088 -6.997 -3.446 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.384 -7.325 -3.839 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.865 -5.722 -3.233 1.00 0.94 H new ATOM 56 N ARG B 6 5.159 -8.952 -1.998 1.00 0.48 N ATOM 57 CA ARG B 6 4.194 -9.726 -2.814 1.00 0.46 C ATOM 58 C ARG B 6 2.794 -9.276 -2.456 1.00 0.43 C ATOM 59 O ARG B 6 1.960 -9.042 -3.309 1.00 0.45 O ATOM 60 CB ARG B 6 4.358 -11.179 -2.383 1.00 0.56 C ATOM 61 CG ARG B 6 4.954 -12.000 -3.530 1.00 0.78 C ATOM 62 CD ARG B 6 6.462 -12.159 -3.317 1.00 1.03 C ATOM 63 NE ARG B 6 6.597 -13.203 -2.259 1.00 0.88 N ATOM 64 CZ ARG B 6 7.779 -13.653 -1.912 1.00 0.73 C ATOM 65 NH1 ARG B 6 8.864 -13.197 -2.483 1.00 1.43 N ATOM 66 NH2 ARG B 6 7.874 -14.567 -0.985 1.00 1.26 N ATOM 0 H ARG B 6 5.596 -9.472 -1.237 1.00 0.48 H new ATOM 0 HA ARG B 6 4.360 -9.593 -3.883 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.006 -11.237 -1.508 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.392 -11.592 -2.092 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.478 -12.979 -3.576 1.00 0.78 H new ATOM 0 HG3 ARG B 6 4.761 -11.507 -4.483 1.00 0.78 H new ATOM 0 HD2 ARG B 6 6.960 -12.464 -4.237 1.00 1.03 H new ATOM 0 HD3 ARG B 6 6.917 -11.219 -3.004 1.00 1.03 H new ATOM 0 HE ARG B 6 5.762 -13.570 -1.802 1.00 0.88 H new ATOM 0 HH11 ARG B 6 8.797 -12.482 -3.208 1.00 1.43 H new ATOM 0 HH12 ARG B 6 9.777 -13.556 -2.203 1.00 1.43 H new ATOM 0 HH21 ARG B 6 7.032 -14.927 -0.535 1.00 1.26 H new ATOM 0 HH22 ARG B 6 8.790 -14.921 -0.710 1.00 1.26 H new ATOM 80 N ARG B 7 2.531 -9.167 -1.183 1.00 0.61 N ATOM 81 CA ARG B 7 1.180 -8.744 -0.757 1.00 0.80 C ATOM 82 C ARG B 7 0.879 -7.363 -1.338 1.00 0.65 C ATOM 83 O ARG B 7 -0.243 -7.045 -1.671 1.00 0.56 O ATOM 84 CB ARG B 7 1.234 -8.701 0.770 1.00 1.16 C ATOM 85 CG ARG B 7 -0.053 -8.071 1.323 1.00 1.10 C ATOM 86 CD ARG B 7 0.167 -7.675 2.782 1.00 0.92 C ATOM 87 NE ARG B 7 -0.714 -6.493 3.015 1.00 0.41 N ATOM 88 CZ ARG B 7 -2.008 -6.648 3.158 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.551 -7.839 3.099 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.766 -5.607 3.363 1.00 1.08 N ATOM 0 H ARG B 7 3.192 -9.352 -0.429 1.00 0.61 H new ATOM 0 HA ARG B 7 0.395 -9.417 -1.102 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.355 -9.709 1.166 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.100 -8.125 1.096 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.326 -7.196 0.734 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.880 -8.777 1.246 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.091 -8.494 3.453 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.212 -7.427 2.968 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.307 -5.559 3.063 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -1.966 -8.659 2.940 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.559 -7.946 3.212 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.352 -4.676 3.412 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.773 -5.724 3.475 1.00 1.08 H new ATOM 104 N ARG B 8 1.890 -6.547 -1.476 1.00 0.68 N ATOM 105 CA ARG B 8 1.683 -5.186 -2.051 1.00 0.67 C ATOM 106 C ARG B 8 1.014 -5.319 -3.403 1.00 0.48 C ATOM 107 O ARG B 8 0.098 -4.588 -3.728 1.00 0.50 O ATOM 108 CB ARG B 8 3.093 -4.602 -2.191 1.00 0.77 C ATOM 109 CG ARG B 8 3.106 -3.117 -1.802 1.00 0.73 C ATOM 110 CD ARG B 8 2.448 -2.889 -0.425 1.00 0.73 C ATOM 111 NE ARG B 8 2.691 -4.133 0.372 1.00 0.85 N ATOM 112 CZ ARG B 8 1.974 -4.393 1.439 1.00 1.05 C ATOM 113 NH1 ARG B 8 1.035 -3.577 1.833 1.00 1.43 N ATOM 114 NH2 ARG B 8 2.200 -5.480 2.118 1.00 1.16 N ATOM 0 H ARG B 8 2.852 -6.765 -1.215 1.00 0.68 H new ATOM 0 HA ARG B 8 1.048 -4.549 -1.435 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.786 -5.155 -1.557 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.439 -4.717 -3.218 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.134 -2.754 -1.780 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.579 -2.537 -2.559 1.00 0.73 H new ATOM 0 HD2 ARG B 8 2.879 -2.019 0.072 1.00 0.73 H new ATOM 0 HD3 ARG B 8 1.380 -2.699 -0.532 1.00 0.73 H new ATOM 0 HE ARG B 8 3.421 -4.784 0.083 1.00 0.85 H new ATOM 0 HH11 ARG B 8 0.849 -2.722 1.309 1.00 1.43 H new ATOM 0 HH12 ARG B 8 0.487 -3.794 2.665 1.00 1.43 H new ATOM 0 HH21 ARG B 8 2.932 -6.125 1.820 1.00 1.16 H new ATOM 0 HH22 ARG B 8 1.645 -5.687 2.949 1.00 1.16 H new ATOM 128 N GLU B 9 1.425 -6.278 -4.177 1.00 0.38 N ATOM 129 CA GLU B 9 0.757 -6.478 -5.487 1.00 0.34 C ATOM 130 C GLU B 9 -0.698 -6.819 -5.202 1.00 0.31 C ATOM 131 O GLU B 9 -1.598 -6.438 -5.925 1.00 0.34 O ATOM 132 CB GLU B 9 1.488 -7.638 -6.163 1.00 0.40 C ATOM 133 CG GLU B 9 2.979 -7.309 -6.277 1.00 0.59 C ATOM 134 CD GLU B 9 3.501 -7.757 -7.644 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.039 -7.221 -8.637 1.00 1.88 O ATOM 136 OE2 GLU B 9 4.354 -8.628 -7.674 1.00 1.73 O ATOM 0 H GLU B 9 2.184 -6.925 -3.964 1.00 0.38 H new ATOM 0 HA GLU B 9 0.786 -5.602 -6.135 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.350 -8.553 -5.587 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.068 -7.818 -7.153 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.136 -6.238 -6.150 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.534 -7.809 -5.483 1.00 0.59 H new ATOM 143 N ARG B 10 -0.927 -7.487 -4.107 1.00 0.31 N ATOM 144 CA ARG B 10 -2.316 -7.806 -3.705 1.00 0.38 C ATOM 145 C ARG B 10 -2.956 -6.532 -3.165 1.00 0.35 C ATOM 146 O ARG B 10 -4.163 -6.421 -3.073 1.00 0.40 O ATOM 147 CB ARG B 10 -2.191 -8.859 -2.605 1.00 0.46 C ATOM 148 CG ARG B 10 -2.575 -10.233 -3.158 1.00 0.73 C ATOM 149 CD ARG B 10 -1.306 -11.047 -3.430 1.00 0.67 C ATOM 150 NE ARG B 10 -1.543 -11.705 -4.749 1.00 1.55 N ATOM 151 CZ ARG B 10 -0.544 -12.204 -5.437 1.00 2.12 C ATOM 152 NH1 ARG B 10 0.682 -12.136 -4.982 1.00 3.14 N ATOM 153 NH2 ARG B 10 -0.773 -12.776 -6.587 1.00 2.20 N ATOM 0 H ARG B 10 -0.204 -7.826 -3.472 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.930 -8.176 -4.526 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.170 -8.882 -2.225 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.837 -8.601 -1.766 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.211 -10.759 -2.446 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -3.151 -10.119 -4.077 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -0.425 -10.406 -3.462 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -1.135 -11.785 -2.646 1.00 0.67 H new ATOM 0 HE ARG B 10 -2.492 -11.767 -5.119 1.00 1.55 H new ATOM 0 HH11 ARG B 10 0.868 -11.691 -4.083 1.00 3.14 H new ATOM 0 HH12 ARG B 10 1.450 -12.528 -5.526 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -1.726 -12.834 -6.947 1.00 2.20 H new ATOM 0 HH22 ARG B 10 0.000 -13.166 -7.126 1.00 2.20 H new ATOM 167 N ARG B 11 -2.149 -5.557 -2.825 1.00 0.29 N ATOM 168 CA ARG B 11 -2.708 -4.285 -2.314 1.00 0.29 C ATOM 169 C ARG B 11 -2.909 -3.308 -3.465 1.00 0.24 C ATOM 170 O ARG B 11 -3.319 -2.187 -3.257 1.00 0.25 O ATOM 171 CB ARG B 11 -1.671 -3.742 -1.336 1.00 0.32 C ATOM 172 CG ARG B 11 -1.544 -4.674 -0.119 1.00 0.41 C ATOM 173 CD ARG B 11 -2.911 -4.841 0.553 1.00 0.55 C ATOM 174 NE ARG B 11 -3.113 -6.319 0.632 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.264 -6.818 1.013 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.261 -6.034 1.334 1.00 1.76 N ATOM 177 NH2 ARG B 11 -4.416 -8.114 1.074 1.00 3.24 N ATOM 0 H ARG B 11 -1.131 -5.594 -2.882 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.676 -4.430 -1.833 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.706 -3.649 -1.834 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.958 -2.743 -1.009 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -1.162 -5.646 -0.432 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.827 -4.263 0.592 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.924 -4.385 1.543 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.700 -4.363 -0.028 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.347 -6.947 0.387 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.148 -5.021 1.289 1.00 1.76 H new ATOM 0 HH12 ARG B 11 -6.151 -6.436 1.629 1.00 1.76 H new ATOM 0 HH21 ARG B 11 -3.642 -8.730 0.826 1.00 3.24 H new ATOM 0 HH22 ARG B 11 -5.309 -8.509 1.370 1.00 3.24 H new ATOM 191 N ALA B 12 -2.651 -3.720 -4.684 1.00 0.24 N ATOM 192 CA ALA B 12 -2.873 -2.787 -5.831 1.00 0.28 C ATOM 193 C ALA B 12 -4.312 -2.277 -5.757 1.00 0.31 C ATOM 194 O ALA B 12 -4.623 -1.187 -6.195 1.00 0.33 O ATOM 195 CB ALA B 12 -2.652 -3.628 -7.088 1.00 0.34 C ATOM 0 H ALA B 12 -2.302 -4.646 -4.931 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.207 -1.924 -5.824 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.799 -3.007 -7.972 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.636 -4.024 -7.087 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.363 -4.454 -7.103 1.00 0.34 H new ATOM 201 N GLU B 13 -5.181 -3.054 -5.163 1.00 0.34 N ATOM 202 CA GLU B 13 -6.590 -2.612 -5.007 1.00 0.41 C ATOM 203 C GLU B 13 -6.640 -1.577 -3.886 1.00 0.38 C ATOM 204 O GLU B 13 -7.396 -0.627 -3.935 1.00 0.42 O ATOM 205 CB GLU B 13 -7.375 -3.870 -4.632 1.00 0.48 C ATOM 206 CG GLU B 13 -7.608 -4.717 -5.884 1.00 0.52 C ATOM 207 CD GLU B 13 -8.460 -5.936 -5.527 1.00 0.77 C ATOM 208 OE1 GLU B 13 -9.662 -5.775 -5.396 1.00 1.15 O ATOM 209 OE2 GLU B 13 -7.896 -7.010 -5.391 1.00 1.18 O ATOM 0 H GLU B 13 -4.971 -3.976 -4.780 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.004 -2.157 -5.907 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.826 -4.446 -3.887 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.329 -3.596 -4.183 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.107 -4.123 -6.649 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.653 -5.037 -6.302 1.00 0.52 H new ATOM 216 N LYS B 14 -5.800 -1.735 -2.892 1.00 0.33 N ATOM 217 CA LYS B 14 -5.760 -0.737 -1.792 1.00 0.33 C ATOM 218 C LYS B 14 -4.981 0.472 -2.303 1.00 0.28 C ATOM 219 O LYS B 14 -5.296 1.612 -2.023 1.00 0.30 O ATOM 220 CB LYS B 14 -5.013 -1.431 -0.650 1.00 0.31 C ATOM 221 CG LYS B 14 -5.778 -2.685 -0.219 1.00 0.38 C ATOM 222 CD LYS B 14 -7.088 -2.281 0.460 1.00 1.23 C ATOM 223 CE LYS B 14 -7.900 -3.536 0.787 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.976 -3.070 1.706 1.00 1.83 N ATOM 0 H LYS B 14 -5.145 -2.511 -2.800 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.742 -0.400 -1.459 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.007 -1.700 -0.971 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.907 -0.750 0.194 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.985 -3.313 -1.086 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.170 -3.277 0.465 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.880 -1.721 1.372 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.661 -1.624 -0.194 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.318 -3.982 -0.116 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -7.278 -4.296 1.260 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.576 -3.876 1.975 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.549 -2.656 2.559 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.556 -2.352 1.226 1.00 1.83 H new ATOM 238 N GLN B 15 -3.973 0.198 -3.077 1.00 0.25 N ATOM 239 CA GLN B 15 -3.135 1.264 -3.674 1.00 0.24 C ATOM 240 C GLN B 15 -3.933 2.016 -4.732 1.00 0.28 C ATOM 241 O GLN B 15 -3.997 3.223 -4.732 1.00 0.28 O ATOM 242 CB GLN B 15 -1.977 0.498 -4.325 1.00 0.24 C ATOM 243 CG GLN B 15 -0.708 0.686 -3.506 1.00 0.25 C ATOM 244 CD GLN B 15 0.176 -0.550 -3.669 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.195 -1.669 -3.112 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.208 -0.497 -4.307 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.689 -0.749 -3.326 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.795 2.001 -2.946 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.223 -0.562 -4.393 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.820 0.855 -5.343 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.175 1.577 -3.837 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.957 0.835 -2.455 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.495 0.380 -4.741 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.788 -1.330 -4.409 1.00 0.33 H new ATOM 255 N ALA B 16 -4.543 1.306 -5.634 1.00 0.35 N ATOM 256 CA ALA B 16 -5.341 1.985 -6.695 1.00 0.41 C ATOM 257 C ALA B 16 -6.522 2.713 -6.063 1.00 0.40 C ATOM 258 O ALA B 16 -6.990 3.711 -6.577 1.00 0.43 O ATOM 259 CB ALA B 16 -5.819 0.866 -7.623 1.00 0.48 C ATOM 0 H ALA B 16 -4.526 0.287 -5.686 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.761 2.730 -7.241 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.415 1.292 -8.430 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.957 0.348 -8.043 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.427 0.159 -7.058 1.00 0.48 H new ATOM 265 N GLN B 17 -6.994 2.246 -4.937 1.00 0.40 N ATOM 266 CA GLN B 17 -8.122 2.952 -4.275 1.00 0.42 C ATOM 267 C GLN B 17 -7.555 4.165 -3.557 1.00 0.37 C ATOM 268 O GLN B 17 -8.147 5.226 -3.524 1.00 0.40 O ATOM 269 CB GLN B 17 -8.705 1.946 -3.281 1.00 0.45 C ATOM 270 CG GLN B 17 -9.783 1.107 -3.973 1.00 0.53 C ATOM 271 CD GLN B 17 -11.168 1.641 -3.599 1.00 0.66 C ATOM 272 OE1 GLN B 17 -12.030 0.891 -3.186 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.420 2.915 -3.727 1.00 1.33 N ATOM 0 H GLN B 17 -6.650 1.416 -4.454 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.891 3.294 -4.968 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.916 1.299 -2.898 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.131 2.470 -2.425 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.648 1.143 -5.054 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.692 0.062 -3.675 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.697 3.546 -4.074 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.340 3.280 -3.480 1.00 1.33 H new ATOM 282 N TRP B 18 -6.384 4.012 -3.014 1.00 0.32 N ATOM 283 CA TRP B 18 -5.722 5.144 -2.324 1.00 0.30 C ATOM 284 C TRP B 18 -5.157 6.095 -3.373 1.00 0.31 C ATOM 285 O TRP B 18 -5.323 7.297 -3.309 1.00 0.35 O ATOM 286 CB TRP B 18 -4.571 4.512 -1.546 1.00 0.25 C ATOM 287 CG TRP B 18 -3.721 5.603 -0.986 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.799 6.123 0.257 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.665 6.320 -1.658 1.00 0.24 C ATOM 290 NE1 TRP B 18 -2.858 7.136 0.369 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.129 7.284 -0.784 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.130 6.219 -2.936 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.091 8.123 -1.177 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.093 7.047 -3.334 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.573 7.996 -2.466 1.00 0.38 C ATOM 0 H TRP B 18 -5.853 3.141 -3.020 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.402 5.700 -1.678 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -4.957 3.883 -0.744 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -3.980 3.869 -2.199 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.479 5.804 1.033 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.724 7.702 1.207 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.526 5.488 -3.626 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -0.693 8.860 -0.496 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.685 6.953 -4.330 1.00 0.36 H new ATOM 0 HH2 TRP B 18 0.234 8.637 -2.789 1.00 0.38 H new ATOM 306 N LYS B 19 -4.481 5.543 -4.334 1.00 0.30 N ATOM 307 CA LYS B 19 -3.873 6.366 -5.409 1.00 0.37 C ATOM 308 C LYS B 19 -4.975 7.137 -6.101 1.00 0.46 C ATOM 309 O LYS B 19 -4.797 8.267 -6.514 1.00 0.70 O ATOM 310 CB LYS B 19 -3.224 5.371 -6.375 1.00 0.40 C ATOM 311 CG LYS B 19 -1.902 4.856 -5.801 1.00 0.49 C ATOM 312 CD LYS B 19 -1.061 4.245 -6.925 1.00 0.96 C ATOM 313 CE LYS B 19 -1.570 2.837 -7.240 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.341 2.010 -7.393 1.00 1.92 N ATOM 0 H LYS B 19 -4.321 4.539 -4.422 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.139 7.080 -5.035 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.900 4.535 -6.555 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.048 5.851 -7.338 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.357 5.672 -5.327 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.094 4.110 -5.030 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -1.117 4.871 -7.816 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -0.013 4.206 -6.628 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -2.204 2.458 -6.439 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.168 2.828 -8.151 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.608 1.029 -7.611 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.240 2.391 -8.167 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.205 2.032 -6.508 1.00 1.92 H new ATOM 328 N ALA B 20 -6.123 6.536 -6.218 1.00 0.44 N ATOM 329 CA ALA B 20 -7.243 7.243 -6.871 1.00 0.52 C ATOM 330 C ALA B 20 -7.614 8.483 -6.058 1.00 0.56 C ATOM 331 O ALA B 20 -8.091 9.468 -6.589 1.00 0.74 O ATOM 332 CB ALA B 20 -8.400 6.256 -6.885 1.00 0.55 C ATOM 0 H ALA B 20 -6.329 5.592 -5.891 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.987 7.573 -7.878 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.267 6.718 -7.358 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.113 5.366 -7.445 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.651 5.975 -5.862 1.00 0.55 H new ATOM 338 N ALA B 21 -7.395 8.440 -4.769 1.00 0.54 N ATOM 339 CA ALA B 21 -7.733 9.615 -3.918 1.00 0.66 C ATOM 340 C ALA B 21 -6.481 10.162 -3.246 1.00 0.73 C ATOM 341 O ALA B 21 -6.536 10.778 -2.199 1.00 0.99 O ATOM 342 CB ALA B 21 -8.728 9.092 -2.883 1.00 0.71 C ATOM 0 H ALA B 21 -6.998 7.643 -4.272 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.156 10.435 -4.499 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.023 9.904 -2.219 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.609 8.700 -3.391 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.262 8.298 -2.300 1.00 0.71 H new ATOM 348 N ASN B 22 -5.362 9.962 -3.868 1.00 0.73 N ATOM 349 CA ASN B 22 -4.075 10.483 -3.314 1.00 0.88 C ATOM 350 C ASN B 22 -3.050 10.666 -4.437 1.00 1.08 C ATOM 351 O ASN B 22 -1.937 10.190 -4.343 1.00 0.00 O ATOM 352 CB ASN B 22 -3.578 9.439 -2.319 1.00 0.93 C ATOM 353 CG ASN B 22 -4.546 9.350 -1.143 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.158 8.228 -0.920 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -4.743 10.308 -0.422 1.00 0.94 N flip ATOM 0 H ASN B 22 -5.275 9.454 -4.748 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.217 11.452 -2.835 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.493 8.468 -2.807 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.582 9.705 -1.964 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.260 11.188 -0.600 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.391 10.232 0.362 1.00 0.94 H new ATOM 362 N PRO B 23 -3.456 11.377 -5.452 1.00 0.00 N ATOM 363 CA PRO B 23 -2.563 11.658 -6.589 1.00 0.00 C ATOM 364 C PRO B 23 -1.488 12.631 -6.121 1.00 0.00 C ATOM 365 O PRO B 23 -0.400 12.682 -6.657 1.00 0.00 O ATOM 366 CB PRO B 23 -3.481 12.291 -7.632 1.00 0.00 C ATOM 367 CG PRO B 23 -4.615 12.855 -6.844 1.00 0.00 C ATOM 368 CD PRO B 23 -4.767 11.988 -5.623 1.00 0.00 C ATOM 0 HA PRO B 23 -2.053 10.782 -6.991 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.964 13.068 -8.195 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.829 11.552 -8.354 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.414 13.889 -6.562 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.532 12.858 -7.433 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.049 12.576 -4.750 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.542 11.235 -5.764 1.00 0.00 H new ATOM 376 N LEU B 24 -1.785 13.386 -5.094 1.00 0.00 N ATOM 377 CA LEU B 24 -0.760 14.338 -4.567 1.00 0.00 C ATOM 378 C LEU B 24 0.419 13.547 -4.003 1.00 0.00 C ATOM 379 O LEU B 24 1.518 14.046 -3.868 1.00 0.00 O ATOM 380 CB LEU B 24 -1.422 15.209 -3.469 1.00 0.00 C ATOM 381 CG LEU B 24 -2.411 14.445 -2.546 1.00 0.00 C ATOM 382 CD1 LEU B 24 -3.796 14.387 -3.193 1.00 0.00 C ATOM 383 CD2 LEU B 24 -1.927 13.019 -2.227 1.00 0.00 C ATOM 0 H LEU B 24 -2.679 13.386 -4.603 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.387 14.986 -5.360 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -0.639 15.651 -2.853 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -1.954 16.031 -3.948 1.00 0.00 H new ATOM 0 HG LEU B 24 -2.464 14.994 -1.606 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -4.481 13.849 -2.538 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -4.166 15.400 -3.352 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.729 13.870 -4.150 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.651 12.525 -1.579 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -1.824 12.454 -3.153 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -0.962 13.067 -1.722 1.00 0.00 H new ATOM 395 N LEU B 25 0.194 12.299 -3.722 1.00 0.00 N ATOM 396 CA LEU B 25 1.270 11.418 -3.219 1.00 0.00 C ATOM 397 C LEU B 25 1.480 10.360 -4.287 1.00 0.00 C ATOM 398 O LEU B 25 1.870 9.237 -4.037 1.00 0.00 O ATOM 399 CB LEU B 25 0.717 10.816 -1.929 1.00 0.00 C ATOM 400 CG LEU B 25 0.948 11.786 -0.769 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.112 11.554 0.308 1.00 0.00 C ATOM 402 CD2 LEU B 25 2.338 11.550 -0.176 1.00 0.00 C ATOM 0 H LEU B 25 -0.713 11.844 -3.823 1.00 0.00 H new ATOM 0 HA LEU B 25 2.221 11.913 -3.020 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.348 10.612 -2.039 1.00 0.00 H new ATOM 0 HB3 LEU B 25 1.205 9.863 -1.722 1.00 0.00 H new ATOM 0 HG LEU B 25 0.878 12.811 -1.133 1.00 0.00 H new ATOM 0 HD11 LEU B 25 0.052 12.245 1.135 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.103 11.722 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.042 10.529 0.672 1.00 0.00 H new ATOM 0 HD21 LEU B 25 2.503 12.241 0.651 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.409 10.525 0.188 1.00 0.00 H new ATOM 0 HD23 LEU B 25 3.094 11.715 -0.944 1.00 0.00 H new ATOM 414 N VAL B 26 1.183 10.749 -5.488 1.00 0.00 N ATOM 415 CA VAL B 26 1.294 9.850 -6.652 1.00 0.00 C ATOM 416 C VAL B 26 1.701 10.685 -7.864 1.00 0.00 C ATOM 417 O VAL B 26 0.980 11.563 -8.292 1.00 0.00 O ATOM 418 CB VAL B 26 -0.121 9.266 -6.793 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.620 9.382 -8.236 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.079 7.798 -6.383 1.00 0.00 C ATOM 0 H VAL B 26 0.856 11.688 -5.715 1.00 0.00 H new ATOM 0 HA VAL B 26 2.037 9.059 -6.554 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.805 9.824 -6.153 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.623 8.962 -8.309 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.644 10.431 -8.529 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.051 8.835 -8.898 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.075 7.366 -6.476 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.613 7.259 -7.030 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.255 7.719 -5.349 1.00 0.00 H new ATOM 430 N GLY B 27 2.858 10.441 -8.400 1.00 0.00 N ATOM 431 CA GLY B 27 3.318 11.255 -9.563 1.00 0.00 C ATOM 432 C GLY B 27 3.602 12.680 -9.069 1.00 0.00 C ATOM 433 O GLY B 27 4.732 13.128 -9.054 1.00 0.00 O ATOM 0 H GLY B 27 3.506 9.718 -8.089 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.216 10.819 -10.001 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.557 11.268 -10.343 1.00 0.00 H new ATOM 437 N VAL B 28 2.582 13.384 -8.644 1.00 0.00 N ATOM 438 CA VAL B 28 2.779 14.770 -8.126 1.00 0.00 C ATOM 439 C VAL B 28 3.387 14.715 -6.724 1.00 0.00 C ATOM 440 O VAL B 28 3.150 13.791 -5.970 1.00 0.00 O ATOM 441 CB VAL B 28 1.375 15.384 -8.081 1.00 0.00 C ATOM 442 CG1 VAL B 28 1.433 16.779 -7.443 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.827 15.499 -9.505 1.00 0.00 C ATOM 0 H VAL B 28 1.617 13.055 -8.634 1.00 0.00 H new ATOM 0 HA VAL B 28 3.455 15.356 -8.749 1.00 0.00 H new ATOM 0 HB VAL B 28 0.723 14.745 -7.485 1.00 0.00 H new ATOM 0 HG11 VAL B 28 0.431 17.208 -7.415 1.00 0.00 H new ATOM 0 HG12 VAL B 28 1.822 16.699 -6.428 1.00 0.00 H new ATOM 0 HG13 VAL B 28 2.087 17.422 -8.033 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -0.171 15.935 -9.476 1.00 0.00 H new ATOM 0 HG22 VAL B 28 1.484 16.135 -10.098 1.00 0.00 H new ATOM 0 HG23 VAL B 28 0.777 14.508 -9.957 1.00 0.00 H new ATOM 453 N SER B 29 4.172 15.698 -6.373 1.00 0.00 N ATOM 454 CA SER B 29 4.806 15.712 -5.024 1.00 0.00 C ATOM 455 C SER B 29 5.526 14.388 -4.772 1.00 0.00 C ATOM 456 O SER B 29 5.442 13.809 -3.706 1.00 0.00 O ATOM 457 CB SER B 29 3.657 15.906 -4.033 1.00 0.00 C ATOM 458 OG SER B 29 3.968 16.982 -3.158 1.00 0.00 O ATOM 0 H SER B 29 4.402 16.495 -6.966 1.00 0.00 H new ATOM 0 HA SER B 29 5.550 16.502 -4.927 1.00 0.00 H new ATOM 0 HB2 SER B 29 2.731 16.114 -4.569 1.00 0.00 H new ATOM 0 HB3 SER B 29 3.496 14.992 -3.461 1.00 0.00 H new ATOM 0 HG SER B 29 3.233 17.110 -2.523 1.00 0.00 H new ATOM 464 N ALA B 30 6.232 13.911 -5.757 1.00 0.00 N ATOM 465 CA ALA B 30 6.969 12.625 -5.605 1.00 0.00 C ATOM 466 C ALA B 30 8.433 12.823 -5.995 1.00 0.00 C ATOM 467 O ALA B 30 8.975 12.106 -6.814 1.00 0.00 O ATOM 468 CB ALA B 30 6.282 11.655 -6.567 1.00 0.00 C ATOM 0 H ALA B 30 6.331 14.359 -6.668 1.00 0.00 H new ATOM 0 HA ALA B 30 6.954 12.253 -4.581 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.770 10.682 -6.512 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.233 11.551 -6.291 1.00 0.00 H new ATOM 0 HB3 ALA B 30 6.353 12.040 -7.584 1.00 0.00 H new ATOM 474 N LYS B 31 9.074 13.798 -5.412 1.00 0.00 N ATOM 475 CA LYS B 31 10.505 14.060 -5.741 1.00 0.00 C ATOM 476 C LYS B 31 11.114 15.028 -4.719 1.00 0.00 C ATOM 477 O LYS B 31 11.562 16.100 -5.072 1.00 0.00 O ATOM 478 CB LYS B 31 10.487 14.685 -7.143 1.00 0.00 C ATOM 479 CG LYS B 31 9.459 15.826 -7.208 1.00 0.00 C ATOM 480 CD LYS B 31 10.185 17.175 -7.193 1.00 0.00 C ATOM 481 CE LYS B 31 9.357 18.215 -7.956 1.00 0.00 C ATOM 482 NZ LYS B 31 9.246 19.376 -7.028 1.00 0.00 N ATOM 0 H LYS B 31 8.668 14.427 -4.720 1.00 0.00 H new ATOM 0 HA LYS B 31 11.109 13.153 -5.713 1.00 0.00 H new ATOM 0 HB2 LYS B 31 11.478 15.065 -7.391 1.00 0.00 H new ATOM 0 HB3 LYS B 31 10.243 13.924 -7.884 1.00 0.00 H new ATOM 0 HG2 LYS B 31 8.857 15.736 -8.112 1.00 0.00 H new ATOM 0 HG3 LYS B 31 8.775 15.761 -6.362 1.00 0.00 H new ATOM 0 HD2 LYS B 31 10.342 17.503 -6.165 1.00 0.00 H new ATOM 0 HD3 LYS B 31 11.170 17.074 -7.649 1.00 0.00 H new ATOM 0 HE2 LYS B 31 9.844 18.500 -8.888 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.374 17.823 -8.217 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 8.691 20.130 -7.481 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 8.772 19.076 -6.152 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 10.197 19.733 -6.803 1.00 0.00 H new ATOM 496 N PRO B 32 11.108 14.618 -3.474 1.00 0.00 N ATOM 497 CA PRO B 32 11.659 15.457 -2.391 1.00 0.00 C ATOM 498 C PRO B 32 13.159 15.196 -2.216 1.00 0.00 C ATOM 499 O PRO B 32 13.570 14.093 -1.917 1.00 0.00 O ATOM 500 CB PRO B 32 10.885 14.986 -1.164 1.00 0.00 C ATOM 501 CG PRO B 32 10.448 13.581 -1.469 1.00 0.00 C ATOM 502 CD PRO B 32 10.593 13.349 -2.957 1.00 0.00 C ATOM 0 HA PRO B 32 11.559 16.526 -2.580 1.00 0.00 H new ATOM 0 HB2 PRO B 32 11.511 15.016 -0.272 1.00 0.00 H new ATOM 0 HB3 PRO B 32 10.026 15.630 -0.973 1.00 0.00 H new ATOM 0 HG2 PRO B 32 11.054 12.866 -0.913 1.00 0.00 H new ATOM 0 HG3 PRO B 32 9.414 13.430 -1.161 1.00 0.00 H new ATOM 0 HD2 PRO B 32 11.278 12.527 -3.166 1.00 0.00 H new ATOM 0 HD3 PRO B 32 9.638 13.092 -3.414 1.00 0.00 H new ATOM 510 N VAL B 33 13.973 16.208 -2.393 1.00 0.00 N ATOM 511 CA VAL B 33 15.453 16.036 -2.235 1.00 0.00 C ATOM 512 C VAL B 33 15.976 14.963 -3.197 1.00 0.00 C ATOM 513 O VAL B 33 15.517 13.840 -3.200 1.00 0.00 O ATOM 514 CB VAL B 33 15.666 15.604 -0.779 1.00 0.00 C ATOM 515 CG1 VAL B 33 17.165 15.528 -0.483 1.00 0.00 C ATOM 516 CG2 VAL B 33 15.018 16.624 0.160 1.00 0.00 C ATOM 0 H VAL B 33 13.675 17.151 -2.642 1.00 0.00 H new ATOM 0 HA VAL B 33 15.992 16.955 -2.465 1.00 0.00 H new ATOM 0 HB VAL B 33 15.211 14.626 -0.624 1.00 0.00 H new ATOM 0 HG11 VAL B 33 17.316 15.221 0.552 1.00 0.00 H new ATOM 0 HG12 VAL B 33 17.631 14.802 -1.149 1.00 0.00 H new ATOM 0 HG13 VAL B 33 17.617 16.507 -0.641 1.00 0.00 H new ATOM 0 HG21 VAL B 33 15.171 16.315 1.194 1.00 0.00 H new ATOM 0 HG22 VAL B 33 15.472 17.603 0.003 1.00 0.00 H new ATOM 0 HG23 VAL B 33 13.949 16.682 -0.047 1.00 0.00 H new ATOM 526 N ASN B 34 16.939 15.302 -4.014 1.00 0.00 N ATOM 527 CA ASN B 34 17.492 14.302 -4.977 1.00 0.00 C ATOM 528 C ASN B 34 17.921 13.026 -4.241 1.00 0.00 C ATOM 529 O ASN B 34 18.956 12.984 -3.606 1.00 0.00 O ATOM 530 CB ASN B 34 18.705 14.987 -5.608 1.00 0.00 C ATOM 531 CG ASN B 34 19.246 14.122 -6.747 1.00 0.00 C ATOM 532 OD1 ASN B 34 18.626 14.006 -7.786 1.00 0.00 O ATOM 533 ND2 ASN B 34 20.386 13.503 -6.597 1.00 0.00 N ATOM 0 H ASN B 34 17.367 16.227 -4.057 1.00 0.00 H new ATOM 0 HA ASN B 34 16.755 14.003 -5.723 1.00 0.00 H new ATOM 0 HB2 ASN B 34 18.425 15.970 -5.986 1.00 0.00 H new ATOM 0 HB3 ASN B 34 19.479 15.143 -4.857 1.00 0.00 H new ATOM 0 HD21 ASN B 34 20.755 12.923 -7.351 1.00 0.00 H new ATOM 0 HD22 ASN B 34 20.908 13.599 -5.726 1.00 0.00 H new ATOM 540 N ARG B 35 17.133 11.985 -4.331 1.00 0.00 N ATOM 541 CA ARG B 35 17.497 10.708 -3.644 1.00 0.00 C ATOM 542 C ARG B 35 16.532 9.583 -4.054 1.00 0.00 C ATOM 543 O ARG B 35 16.960 8.581 -4.591 1.00 0.00 O ATOM 544 CB ARG B 35 17.387 11.002 -2.143 1.00 0.00 C ATOM 545 CG ARG B 35 18.771 10.896 -1.490 1.00 0.00 C ATOM 546 CD ARG B 35 18.682 10.039 -0.221 1.00 0.00 C ATOM 547 NE ARG B 35 19.680 8.946 -0.416 1.00 0.00 N ATOM 548 CZ ARG B 35 19.682 7.896 0.368 1.00 0.00 C ATOM 549 NH1 ARG B 35 18.808 7.783 1.336 1.00 0.00 N ATOM 550 NH2 ARG B 35 20.564 6.952 0.180 1.00 0.00 N ATOM 0 H ARG B 35 16.255 11.963 -4.849 1.00 0.00 H new ATOM 0 HA ARG B 35 18.499 10.374 -3.913 1.00 0.00 H new ATOM 0 HB2 ARG B 35 16.977 12.000 -1.988 1.00 0.00 H new ATOM 0 HB3 ARG B 35 16.699 10.298 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG B 35 19.480 10.454 -2.190 1.00 0.00 H new ATOM 0 HG3 ARG B 35 19.144 11.890 -1.243 1.00 0.00 H new ATOM 0 HD2 ARG B 35 18.911 10.627 0.668 1.00 0.00 H new ATOM 0 HD3 ARG B 35 17.678 9.636 -0.087 1.00 0.00 H new ATOM 0 HE ARG B 35 20.367 9.017 -1.167 1.00 0.00 H new ATOM 0 HH11 ARG B 35 18.116 8.517 1.486 1.00 0.00 H new ATOM 0 HH12 ARG B 35 18.819 6.961 1.940 1.00 0.00 H new ATOM 0 HH21 ARG B 35 21.246 7.034 -0.574 1.00 0.00 H new ATOM 0 HH22 ARG B 35 20.571 6.132 0.787 1.00 0.00 H new ATOM 564 N PRO B 36 15.259 9.774 -3.790 1.00 0.00 N ATOM 565 CA PRO B 36 14.257 8.741 -4.151 1.00 0.00 C ATOM 566 C PRO B 36 14.044 8.713 -5.667 1.00 0.00 C ATOM 567 O PRO B 36 14.807 9.359 -6.364 1.00 0.00 O ATOM 568 CB PRO B 36 12.990 9.197 -3.432 1.00 0.00 C ATOM 569 CG PRO B 36 13.156 10.671 -3.254 1.00 0.00 C ATOM 570 CD PRO B 36 14.635 10.940 -3.148 1.00 0.00 C ATOM 571 OXT PRO B 36 13.121 8.045 -6.103 1.00 0.00 O ATOM 0 HA PRO B 36 14.560 7.733 -3.866 1.00 0.00 H new ATOM 0 HB2 PRO B 36 12.100 8.968 -4.018 1.00 0.00 H new ATOM 0 HB3 PRO B 36 12.878 8.694 -2.472 1.00 0.00 H new ATOM 0 HG2 PRO B 36 12.725 11.212 -4.097 1.00 0.00 H new ATOM 0 HG3 PRO B 36 12.637 11.012 -2.358 1.00 0.00 H new ATOM 0 HD2 PRO B 36 14.909 11.867 -3.652 1.00 0.00 H new ATOM 0 HD3 PRO B 36 14.949 11.038 -2.109 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.347 -14.295 -0.142 1.00 1.31 P ATOM 581 OP1 G A 1 11.379 -13.306 -0.682 1.00 1.51 O ATOM 582 OP2 G A 1 13.385 -14.869 -1.036 1.00 1.52 O ATOM 583 O5' G A 1 11.522 -15.496 0.500 1.00 1.09 O ATOM 584 C5' G A 1 12.181 -16.517 1.274 1.00 1.03 C ATOM 585 C4' G A 1 11.165 -17.304 2.072 1.00 0.94 C ATOM 586 O4' G A 1 11.570 -17.299 3.464 1.00 1.02 O ATOM 587 C3' G A 1 9.775 -16.697 2.108 1.00 0.80 C ATOM 588 O3' G A 1 9.036 -17.051 0.930 1.00 0.75 O ATOM 589 C2' G A 1 9.188 -17.286 3.389 1.00 0.78 C ATOM 590 O2' G A 1 8.640 -18.580 3.240 1.00 0.77 O ATOM 591 C1' G A 1 10.420 -17.361 4.290 1.00 0.90 C ATOM 592 N9 G A 1 10.452 -16.240 5.219 1.00 0.90 N ATOM 593 C8 G A 1 11.190 -15.087 5.118 1.00 0.97 C ATOM 594 N7 G A 1 10.969 -14.253 6.097 1.00 0.99 N ATOM 595 C5 G A 1 10.032 -14.900 6.890 1.00 0.90 C ATOM 596 C6 G A 1 9.408 -14.489 8.092 1.00 0.88 C ATOM 597 O6 G A 1 9.566 -13.437 8.714 1.00 0.94 O ATOM 598 N1 G A 1 8.518 -15.450 8.566 1.00 0.82 N ATOM 599 C2 G A 1 8.266 -16.654 7.953 1.00 0.81 C ATOM 600 N2 G A 1 7.375 -17.455 8.557 1.00 0.83 N ATOM 601 N3 G A 1 8.842 -17.047 6.833 1.00 0.83 N ATOM 602 C4 G A 1 9.707 -16.127 6.361 1.00 0.86 C ATOM 0 H5' G A 1 12.909 -16.062 1.946 1.00 1.03 H new ATOM 0 H5'' G A 1 12.732 -17.186 0.613 1.00 1.03 H new ATOM 0 H4' G A 1 11.128 -18.281 1.589 1.00 0.94 H new ATOM 0 H3' G A 1 9.757 -15.607 2.114 1.00 0.80 H new ATOM 0 H2' G A 1 8.356 -16.686 3.757 1.00 0.78 H new ATOM 0 HO2' G A 1 9.285 -19.157 2.780 1.00 0.77 H new ATOM 0 H1' G A 1 10.391 -18.287 4.864 1.00 0.90 H new ATOM 0 H8 G A 1 11.882 -14.891 4.312 1.00 0.97 H new ATOM 0 H1 G A 1 8.017 -15.245 9.431 1.00 0.82 H new ATOM 0 H21 G A 1 7.146 -18.362 8.150 1.00 0.83 H new ATOM 0 H22 G A 1 6.927 -17.157 9.423 1.00 0.83 H new ATOM 614 P C A 2 8.370 -18.509 0.794 1.00 0.69 P ATOM 615 OP1 C A 2 9.269 -19.503 1.433 1.00 0.84 O ATOM 616 OP2 C A 2 7.984 -18.682 -0.629 1.00 0.82 O ATOM 617 O5' C A 2 7.031 -18.386 1.648 1.00 0.58 O ATOM 618 C5' C A 2 6.428 -17.099 1.879 1.00 0.57 C ATOM 619 C4' C A 2 5.307 -17.213 2.887 1.00 0.55 C ATOM 620 O4' C A 2 5.845 -16.992 4.214 1.00 0.54 O ATOM 621 C3' C A 2 4.231 -16.153 2.728 1.00 0.51 C ATOM 622 O3' C A 2 3.233 -16.599 1.814 1.00 0.59 O ATOM 623 C2' C A 2 3.668 -16.017 4.138 1.00 0.53 C ATOM 624 O2' C A 2 2.642 -16.954 4.410 1.00 0.67 O ATOM 625 C1' C A 2 4.891 -16.312 5.010 1.00 0.51 C ATOM 626 N1 C A 2 5.531 -15.102 5.548 1.00 0.45 N ATOM 627 C2 C A 2 5.098 -14.614 6.781 1.00 0.44 C ATOM 628 O2 C A 2 4.183 -15.209 7.369 1.00 0.49 O ATOM 629 N3 C A 2 5.685 -13.513 7.299 1.00 0.43 N ATOM 630 C4 C A 2 6.667 -12.905 6.632 1.00 0.45 C ATOM 631 N4 C A 2 7.219 -11.823 7.183 1.00 0.49 N ATOM 632 C5 C A 2 7.127 -13.380 5.370 1.00 0.47 C ATOM 633 C6 C A 2 6.536 -14.473 4.868 1.00 0.46 C ATOM 0 H5' C A 2 6.043 -16.698 0.942 1.00 0.57 H new ATOM 0 H5'' C A 2 7.180 -16.398 2.241 1.00 0.57 H new ATOM 0 H4' C A 2 4.875 -18.202 2.733 1.00 0.55 H new ATOM 0 H3' C A 2 4.601 -15.208 2.330 1.00 0.51 H new ATOM 0 H2' C A 2 3.210 -15.042 4.307 1.00 0.53 H new ATOM 0 HO2' C A 2 2.297 -17.316 3.567 1.00 0.67 H new ATOM 0 H1' C A 2 4.548 -16.905 5.858 1.00 0.51 H new ATOM 0 H41 C A 2 7.972 -11.333 6.701 1.00 0.49 H new ATOM 0 H42 C A 2 6.888 -11.486 8.087 1.00 0.49 H new ATOM 0 H5 C A 2 7.922 -12.878 4.838 1.00 0.47 H new ATOM 0 H6 C A 2 6.858 -14.862 3.913 1.00 0.46 H new ATOM 645 P C A 3 2.254 -15.533 1.119 1.00 0.67 P ATOM 646 OP1 C A 3 0.911 -16.160 1.023 1.00 1.00 O ATOM 647 OP2 C A 3 2.916 -15.023 -0.109 1.00 1.20 O ATOM 648 O5' C A 3 2.171 -14.344 2.175 1.00 0.89 O ATOM 649 C5' C A 3 1.027 -13.474 2.222 1.00 0.68 C ATOM 650 C4' C A 3 0.455 -13.442 3.617 1.00 0.61 C ATOM 651 O4' C A 3 1.558 -13.493 4.554 1.00 0.67 O ATOM 652 C3' C A 3 -0.274 -12.156 3.953 1.00 0.56 C ATOM 653 O3' C A 3 -1.648 -12.229 3.544 1.00 0.57 O ATOM 654 C2' C A 3 -0.096 -12.036 5.465 1.00 0.57 C ATOM 655 O2' C A 3 -1.065 -12.732 6.223 1.00 0.64 O ATOM 656 C1' C A 3 1.271 -12.690 5.683 1.00 0.62 C ATOM 657 N1 C A 3 2.348 -11.698 5.811 1.00 0.61 N ATOM 658 C2 C A 3 2.416 -10.923 6.968 1.00 0.56 C ATOM 659 O2 C A 3 1.566 -11.095 7.854 1.00 0.55 O ATOM 660 N3 C A 3 3.403 -10.006 7.095 1.00 0.58 N ATOM 661 C4 C A 3 4.298 -9.852 6.117 1.00 0.65 C ATOM 662 N4 C A 3 5.255 -8.936 6.283 1.00 0.71 N ATOM 663 C5 C A 3 4.250 -10.630 4.924 1.00 0.71 C ATOM 664 C6 C A 3 3.267 -11.534 4.812 1.00 0.68 C ATOM 0 H5' C A 3 0.269 -13.819 1.518 1.00 0.68 H new ATOM 0 H5'' C A 3 1.313 -12.468 1.915 1.00 0.68 H new ATOM 0 H4' C A 3 -0.242 -14.278 3.677 1.00 0.61 H new ATOM 0 H3' C A 3 0.111 -11.277 3.435 1.00 0.56 H new ATOM 0 H2' C A 3 -0.190 -10.999 5.788 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.190 -13.629 5.849 1.00 0.64 H new ATOM 0 H1' C A 3 1.225 -13.268 6.606 1.00 0.62 H new ATOM 0 H41 C A 3 5.955 -8.792 5.555 1.00 0.71 H new ATOM 0 H42 C A 3 5.286 -8.380 7.138 1.00 0.71 H new ATOM 0 H5 C A 3 4.979 -10.496 4.139 1.00 0.71 H new ATOM 0 H6 C A 3 3.200 -12.141 3.921 1.00 0.68 H new ATOM 676 P C A 4 -2.740 -12.954 4.477 1.00 0.57 P ATOM 677 OP1 C A 4 -2.109 -14.136 5.119 1.00 0.73 O ATOM 678 OP2 C A 4 -3.963 -13.137 3.655 1.00 0.60 O ATOM 679 O5' C A 4 -3.068 -11.862 5.591 1.00 0.61 O ATOM 680 C5' C A 4 -3.235 -10.476 5.230 1.00 0.51 C ATOM 681 C4' C A 4 -3.236 -9.606 6.462 1.00 0.47 C ATOM 682 O4' C A 4 -1.949 -9.725 7.115 1.00 0.55 O ATOM 683 C3' C A 4 -3.378 -8.123 6.169 1.00 0.45 C ATOM 684 O3' C A 4 -4.762 -7.769 6.052 1.00 0.51 O ATOM 685 C2' C A 4 -2.679 -7.464 7.356 1.00 0.47 C ATOM 686 O2' C A 4 -3.508 -7.272 8.484 1.00 0.57 O ATOM 687 C1' C A 4 -1.590 -8.483 7.694 1.00 0.48 C ATOM 688 N1 C A 4 -0.272 -8.102 7.164 1.00 0.43 N ATOM 689 C2 C A 4 0.467 -7.115 7.824 1.00 0.39 C ATOM 690 O2 C A 4 -0.013 -6.578 8.833 1.00 0.43 O ATOM 691 N3 C A 4 1.682 -6.774 7.344 1.00 0.38 N ATOM 692 C4 C A 4 2.160 -7.376 6.254 1.00 0.45 C ATOM 693 N4 C A 4 3.357 -7.013 5.815 1.00 0.51 N ATOM 694 C5 C A 4 1.428 -8.379 5.566 1.00 0.51 C ATOM 695 C6 C A 4 0.229 -8.709 6.047 1.00 0.48 C ATOM 0 H5' C A 4 -4.170 -10.346 4.685 1.00 0.51 H new ATOM 0 H5'' C A 4 -2.431 -10.169 4.561 1.00 0.51 H new ATOM 0 H4' C A 4 -4.084 -9.944 7.057 1.00 0.47 H new ATOM 0 H3' C A 4 -2.937 -7.806 5.224 1.00 0.45 H new ATOM 0 H2' C A 4 -2.333 -6.462 7.104 1.00 0.47 H new ATOM 0 HO2' C A 4 -3.929 -8.122 8.729 1.00 0.57 H new ATOM 0 H1' C A 4 -1.514 -8.536 8.780 1.00 0.48 H new ATOM 0 H41 C A 4 3.751 -7.454 4.984 1.00 0.51 H new ATOM 0 H42 C A 4 3.884 -6.292 6.308 1.00 0.51 H new ATOM 0 H5 C A 4 1.828 -8.858 4.684 1.00 0.51 H new ATOM 0 H6 C A 4 -0.355 -9.467 5.546 1.00 0.48 H new ATOM 707 P U A 5 -5.687 -7.661 7.363 1.00 0.57 P ATOM 708 OP1 U A 5 -5.175 -8.602 8.391 1.00 0.77 O ATOM 709 OP2 U A 5 -7.099 -7.766 6.914 1.00 0.62 O ATOM 710 O5' U A 5 -5.442 -6.167 7.853 1.00 0.49 O ATOM 711 C5' U A 5 -4.742 -5.231 7.010 1.00 0.45 C ATOM 712 C4' U A 5 -4.112 -4.144 7.844 1.00 0.41 C ATOM 713 O4' U A 5 -2.769 -4.555 8.183 1.00 0.47 O ATOM 714 C3' U A 5 -3.908 -2.824 7.118 1.00 0.35 C ATOM 715 O3' U A 5 -5.102 -2.041 7.190 1.00 0.36 O ATOM 716 C2' U A 5 -2.764 -2.189 7.904 1.00 0.41 C ATOM 717 O2' U A 5 -3.211 -1.451 9.026 1.00 0.50 O ATOM 718 C1' U A 5 -1.964 -3.409 8.363 1.00 0.43 C ATOM 719 N1 U A 5 -0.723 -3.595 7.599 1.00 0.43 N ATOM 720 C2 U A 5 0.315 -2.736 7.872 1.00 0.40 C ATOM 721 O2 U A 5 0.232 -1.848 8.705 1.00 0.39 O ATOM 722 N3 U A 5 1.453 -2.953 7.139 1.00 0.43 N ATOM 723 C4 U A 5 1.651 -3.916 6.178 1.00 0.50 C ATOM 724 O4 U A 5 2.739 -3.979 5.600 1.00 0.54 O ATOM 725 C5 U A 5 0.526 -4.769 5.951 1.00 0.55 C ATOM 726 C6 U A 5 -0.600 -4.587 6.651 1.00 0.51 C ATOM 0 H5' U A 5 -5.433 -4.792 6.290 1.00 0.45 H new ATOM 0 H5'' U A 5 -3.974 -5.751 6.438 1.00 0.45 H new ATOM 0 H4' U A 5 -4.793 -4.000 8.683 1.00 0.41 H new ATOM 0 H3' U A 5 -3.684 -2.921 6.056 1.00 0.35 H new ATOM 0 H2' U A 5 -2.202 -1.472 7.305 1.00 0.41 H new ATOM 0 HO2' U A 5 -4.191 -1.429 9.034 1.00 0.50 H new ATOM 0 H1' U A 5 -1.690 -3.254 9.407 1.00 0.43 H new ATOM 0 H3 U A 5 2.240 -2.331 7.327 1.00 0.43 H new ATOM 0 H5 U A 5 0.585 -5.558 5.216 1.00 0.55 H new ATOM 0 H6 U A 5 -1.440 -5.240 6.467 1.00 0.51 H new ATOM 737 P G A 6 -5.013 -0.434 7.219 1.00 0.43 P ATOM 738 OP1 G A 6 -5.097 -0.010 8.640 1.00 0.54 O ATOM 739 OP2 G A 6 -5.989 0.101 6.236 1.00 0.65 O ATOM 740 O5' G A 6 -3.547 -0.107 6.690 1.00 0.43 O ATOM 741 C5' G A 6 -2.700 0.829 7.387 1.00 0.47 C ATOM 742 C4' G A 6 -1.955 1.693 6.396 1.00 0.47 C ATOM 743 O4' G A 6 -0.559 1.300 6.394 1.00 0.53 O ATOM 744 C3' G A 6 -2.403 1.514 4.955 1.00 0.39 C ATOM 745 O3' G A 6 -3.480 2.397 4.660 1.00 0.41 O ATOM 746 C2' G A 6 -1.156 1.882 4.159 1.00 0.48 C ATOM 747 O2' G A 6 -1.059 3.270 3.904 1.00 0.59 O ATOM 748 C1' G A 6 -0.026 1.437 5.089 1.00 0.49 C ATOM 749 N9 G A 6 0.547 0.152 4.701 1.00 0.50 N ATOM 750 C8 G A 6 -0.058 -1.076 4.789 1.00 0.60 C ATOM 751 N7 G A 6 0.704 -2.054 4.383 1.00 0.63 N ATOM 752 C5 G A 6 1.885 -1.432 3.997 1.00 0.54 C ATOM 753 C6 G A 6 3.082 -1.981 3.468 1.00 0.55 C ATOM 754 O6 G A 6 3.346 -3.164 3.232 1.00 0.61 O ATOM 755 N1 G A 6 4.030 -0.996 3.209 1.00 0.55 N ATOM 756 C2 G A 6 3.846 0.347 3.434 1.00 0.57 C ATOM 757 N2 G A 6 4.877 1.146 3.122 1.00 0.70 N ATOM 758 N3 G A 6 2.734 0.871 3.929 1.00 0.53 N ATOM 759 C4 G A 6 1.803 -0.070 4.184 1.00 0.49 C ATOM 0 H5' G A 6 -1.992 0.291 8.017 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.302 1.455 8.046 1.00 0.47 H new ATOM 0 H4' G A 6 -2.142 2.720 6.710 1.00 0.47 H new ATOM 0 H3' G A 6 -2.768 0.512 4.731 1.00 0.39 H new ATOM 0 H2' G A 6 -1.145 1.416 3.174 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.115 3.533 3.878 1.00 0.59 H new ATOM 0 H1' G A 6 0.763 2.187 5.037 1.00 0.49 H new ATOM 0 H8 G A 6 -1.063 -1.219 5.157 1.00 0.60 H new ATOM 0 H1 G A 6 4.927 -1.292 2.824 1.00 0.55 H new ATOM 0 H21 G A 6 4.803 2.153 3.266 1.00 0.70 H new ATOM 0 H22 G A 6 5.735 0.746 2.741 1.00 0.70 H new ATOM 771 P A A 7 -4.314 2.207 3.300 1.00 0.43 P ATOM 772 OP1 A A 7 -4.936 3.508 2.948 1.00 0.66 O ATOM 773 OP2 A A 7 -5.170 1.005 3.467 1.00 0.74 O ATOM 774 O5' A A 7 -3.200 1.874 2.212 1.00 0.33 O ATOM 775 C5' A A 7 -3.563 1.581 0.851 1.00 0.29 C ATOM 776 C4' A A 7 -2.535 2.148 -0.097 1.00 0.23 C ATOM 777 O4' A A 7 -2.545 3.590 0.001 1.00 0.23 O ATOM 778 C3' A A 7 -1.097 1.793 0.225 1.00 0.25 C ATOM 779 O3' A A 7 -0.774 0.521 -0.316 1.00 0.27 O ATOM 780 C2' A A 7 -0.315 2.901 -0.473 1.00 0.24 C ATOM 781 O2' A A 7 -0.037 2.615 -1.831 1.00 0.25 O ATOM 782 C1' A A 7 -1.276 4.084 -0.378 1.00 0.21 C ATOM 783 N9 A A 7 -0.845 5.076 0.606 1.00 0.24 N ATOM 784 C8 A A 7 -1.410 5.375 1.820 1.00 0.29 C ATOM 785 N7 A A 7 -0.778 6.318 2.478 1.00 0.33 N ATOM 786 C5 A A 7 0.273 6.662 1.640 1.00 0.30 C ATOM 787 C6 A A 7 1.312 7.602 1.760 1.00 0.34 C ATOM 788 N6 A A 7 1.469 8.402 2.817 1.00 0.39 N ATOM 789 N1 A A 7 2.196 7.693 0.742 1.00 0.35 N ATOM 790 C2 A A 7 2.038 6.888 -0.318 1.00 0.32 C ATOM 791 N3 A A 7 1.105 5.969 -0.544 1.00 0.27 N ATOM 792 C4 A A 7 0.243 5.906 0.484 1.00 0.25 C ATOM 0 H5' A A 7 -4.544 2.002 0.630 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.641 0.503 0.712 1.00 0.29 H new ATOM 0 H4' A A 7 -2.813 1.734 -1.066 1.00 0.23 H new ATOM 0 H3' A A 7 -0.885 1.727 1.292 1.00 0.25 H new ATOM 0 H2' A A 7 0.663 3.060 -0.018 1.00 0.24 H new ATOM 0 HO2' A A 7 0.932 2.543 -1.958 1.00 0.25 H new ATOM 0 H1' A A 7 -1.305 4.577 -1.350 1.00 0.21 H new ATOM 0 H8 A A 7 -2.292 4.880 2.199 1.00 0.29 H new ATOM 0 H61 A A 7 2.244 9.064 2.845 1.00 0.39 H new ATOM 0 H62 A A 7 0.814 8.351 3.597 1.00 0.39 H new ATOM 0 H2 A A 7 2.774 7.003 -1.100 1.00 0.32 H new ATOM 804 P A A 8 0.011 -0.549 0.586 1.00 0.37 P ATOM 805 OP1 A A 8 -0.461 -1.893 0.174 1.00 0.47 O ATOM 806 OP2 A A 8 -0.099 -0.136 2.007 1.00 0.44 O ATOM 807 O5' A A 8 1.527 -0.384 0.131 1.00 0.38 O ATOM 808 C5' A A 8 1.851 0.053 -1.201 1.00 0.39 C ATOM 809 C4' A A 8 2.941 1.094 -1.159 1.00 0.43 C ATOM 810 O4' A A 8 2.393 2.317 -0.609 1.00 0.37 O ATOM 811 C3' A A 8 4.089 0.757 -0.225 1.00 0.53 C ATOM 812 O3' A A 8 5.072 -0.056 -0.872 1.00 0.66 O ATOM 813 C2' A A 8 4.653 2.131 0.122 1.00 0.50 C ATOM 814 O2' A A 8 5.567 2.609 -0.845 1.00 0.58 O ATOM 815 C1' A A 8 3.395 3.004 0.118 1.00 0.38 C ATOM 816 N9 A A 8 2.882 3.254 1.462 1.00 0.36 N ATOM 817 C8 A A 8 1.814 2.649 2.073 1.00 0.42 C ATOM 818 N7 A A 8 1.581 3.089 3.285 1.00 0.47 N ATOM 819 C5 A A 8 2.564 4.048 3.487 1.00 0.41 C ATOM 820 C6 A A 8 2.862 4.880 4.578 1.00 0.44 C ATOM 821 N6 A A 8 2.168 4.884 5.717 1.00 0.54 N ATOM 822 N1 A A 8 3.913 5.722 4.457 1.00 0.40 N ATOM 823 C2 A A 8 4.609 5.718 3.313 1.00 0.36 C ATOM 824 N3 A A 8 4.425 4.983 2.218 1.00 0.35 N ATOM 825 C4 A A 8 3.374 4.159 2.372 1.00 0.35 C ATOM 0 H5' A A 8 0.964 0.465 -1.682 1.00 0.39 H new ATOM 0 H5'' A A 8 2.174 -0.797 -1.802 1.00 0.39 H new ATOM 0 H4' A A 8 3.306 1.166 -2.183 1.00 0.43 H new ATOM 0 H3' A A 8 3.777 0.182 0.647 1.00 0.53 H new ATOM 0 H2' A A 8 5.211 2.123 1.058 1.00 0.50 H new ATOM 0 HO2' A A 8 5.129 2.642 -1.721 1.00 0.58 H new ATOM 0 H1' A A 8 3.653 3.965 -0.327 1.00 0.38 H new ATOM 0 H8 A A 8 1.220 1.881 1.599 1.00 0.42 H new ATOM 0 H61 A A 8 2.435 5.513 6.474 1.00 0.54 H new ATOM 0 H62 A A 8 1.371 4.258 5.831 1.00 0.54 H new ATOM 0 H2 A A 8 5.438 6.409 3.273 1.00 0.36 H new ATOM 837 P A A 9 5.200 -0.043 -2.475 1.00 1.47 P ATOM 838 OP1 A A 9 5.345 1.365 -2.919 1.00 2.35 O ATOM 839 OP2 A A 9 4.093 -0.873 -3.015 1.00 2.33 O ATOM 840 O5' A A 9 6.571 -0.801 -2.760 1.00 1.08 O ATOM 841 C5' A A 9 7.695 -0.649 -1.875 1.00 1.04 C ATOM 842 C4' A A 9 8.528 0.539 -2.289 1.00 1.09 C ATOM 843 O4' A A 9 8.018 1.046 -3.546 1.00 1.26 O ATOM 844 C3' A A 9 8.430 1.728 -1.353 1.00 0.99 C ATOM 845 O3' A A 9 9.355 1.605 -0.279 1.00 1.17 O ATOM 846 C2' A A 9 8.785 2.899 -2.260 1.00 1.26 C ATOM 847 O2' A A 9 10.181 3.091 -2.381 1.00 1.57 O ATOM 848 C1' A A 9 8.201 2.449 -3.602 1.00 1.29 C ATOM 849 N9 A A 9 6.898 3.054 -3.879 1.00 0.00 N ATOM 850 C8 A A 9 6.200 3.943 -3.101 1.00 0.00 C ATOM 851 N7 A A 9 5.051 4.308 -3.617 1.00 0.00 N ATOM 852 C5 A A 9 4.988 3.609 -4.813 1.00 0.00 C ATOM 853 C6 A A 9 4.016 3.555 -5.828 1.00 0.00 C ATOM 854 N6 A A 9 2.876 4.248 -5.800 1.00 0.00 N ATOM 855 N1 A A 9 4.261 2.755 -6.888 1.00 0.00 N ATOM 856 C2 A A 9 5.405 2.060 -6.915 1.00 0.00 C ATOM 857 N3 A A 9 6.392 2.027 -6.026 1.00 0.00 N ATOM 858 C4 A A 9 6.119 2.833 -4.988 1.00 0.00 C ATOM 0 H5' A A 9 8.304 -1.553 -1.891 1.00 1.04 H new ATOM 0 H5'' A A 9 7.346 -0.518 -0.851 1.00 1.04 H new ATOM 0 H4' A A 9 9.554 0.172 -2.314 1.00 1.09 H new ATOM 0 H3' A A 9 7.453 1.833 -0.881 1.00 0.99 H new ATOM 0 H2' A A 9 8.403 3.848 -1.885 1.00 1.26 H new ATOM 0 HO2' A A 9 10.642 2.593 -1.674 1.00 1.57 H new ATOM 0 H1' A A 9 8.891 2.755 -4.388 1.00 1.29 H new ATOM 0 H8 A A 9 6.563 4.308 -2.152 1.00 0.00 H new ATOM 0 H61 A A 9 2.210 4.166 -6.568 1.00 0.00 H new ATOM 0 H62 A A 9 2.671 4.860 -5.010 1.00 0.00 H new ATOM 0 H2 A A 9 5.546 1.436 -7.785 1.00 0.00 H new ATOM 870 P A A 10 8.918 0.837 1.063 1.00 1.33 P ATOM 871 OP1 A A 10 9.397 -0.566 0.974 1.00 2.11 O ATOM 872 OP2 A A 10 7.468 1.106 1.299 1.00 2.10 O ATOM 873 O5' A A 10 9.743 1.571 2.209 1.00 0.79 O ATOM 874 C5' A A 10 9.280 1.547 3.567 1.00 0.59 C ATOM 875 C4' A A 10 9.443 2.905 4.205 1.00 0.54 C ATOM 876 O4' A A 10 8.236 3.668 3.971 1.00 0.50 O ATOM 877 C3' A A 10 9.581 2.852 5.714 1.00 0.50 C ATOM 878 O3' A A 10 10.949 2.707 6.088 1.00 0.61 O ATOM 879 C2' A A 10 8.995 4.180 6.175 1.00 0.50 C ATOM 880 O2' A A 10 9.946 5.227 6.177 1.00 0.61 O ATOM 881 C1' A A 10 7.925 4.446 5.113 1.00 0.48 C ATOM 882 N9 A A 10 6.598 4.022 5.545 1.00 0.45 N ATOM 883 C8 A A 10 5.795 3.111 4.914 1.00 0.45 C ATOM 884 N7 A A 10 4.652 2.905 5.520 1.00 0.51 N ATOM 885 C5 A A 10 4.710 3.739 6.629 1.00 0.54 C ATOM 886 C6 A A 10 3.807 3.984 7.679 1.00 0.64 C ATOM 887 N6 A A 10 2.617 3.389 7.788 1.00 0.72 N ATOM 888 N1 A A 10 4.174 4.874 8.626 1.00 0.69 N ATOM 889 C2 A A 10 5.368 5.470 8.517 1.00 0.66 C ATOM 890 N3 A A 10 6.301 5.323 7.580 1.00 0.58 N ATOM 891 C4 A A 10 5.905 4.434 6.654 1.00 0.51 C ATOM 0 H5' A A 10 9.838 0.803 4.135 1.00 0.59 H new ATOM 0 H5'' A A 10 8.232 1.249 3.595 1.00 0.59 H new ATOM 0 H4' A A 10 10.344 3.337 3.770 1.00 0.54 H new ATOM 0 H3' A A 10 9.071 2.003 6.168 1.00 0.50 H new ATOM 0 H2' A A 10 8.626 4.137 7.200 1.00 0.50 H new ATOM 0 HO2' A A 10 10.846 4.852 6.081 1.00 0.61 H new ATOM 0 H1' A A 10 7.916 5.519 4.919 1.00 0.48 H new ATOM 0 H8 A A 10 6.078 2.608 4.001 1.00 0.45 H new ATOM 0 H61 A A 10 2.007 3.610 8.575 1.00 0.72 H new ATOM 0 H62 A A 10 2.318 2.713 7.085 1.00 0.72 H new ATOM 0 H2 A A 10 5.608 6.171 9.303 1.00 0.66 H new ATOM 903 P A A 11 11.343 2.606 7.642 1.00 0.62 P ATOM 904 OP1 A A 11 12.257 3.731 7.967 1.00 0.77 O ATOM 905 OP2 A A 11 11.778 1.209 7.900 1.00 0.65 O ATOM 906 O5' A A 11 9.966 2.844 8.407 1.00 0.58 O ATOM 907 C5' A A 11 9.890 3.741 9.532 1.00 0.56 C ATOM 908 C4' A A 11 8.525 3.654 10.176 1.00 0.49 C ATOM 909 O4' A A 11 7.541 3.443 9.135 1.00 0.46 O ATOM 910 C3' A A 11 8.347 2.479 11.121 1.00 0.47 C ATOM 911 O3' A A 11 8.775 2.850 12.437 1.00 0.51 O ATOM 912 C2' A A 11 6.846 2.213 11.054 1.00 0.43 C ATOM 913 O2' A A 11 6.105 3.019 11.950 1.00 0.47 O ATOM 914 C1' A A 11 6.502 2.613 9.619 1.00 0.42 C ATOM 915 N9 A A 11 6.395 1.476 8.703 1.00 0.41 N ATOM 916 C8 A A 11 7.353 1.012 7.837 1.00 0.46 C ATOM 917 N7 A A 11 6.962 -0.008 7.112 1.00 0.47 N ATOM 918 C5 A A 11 5.659 -0.236 7.533 1.00 0.42 C ATOM 919 C6 A A 11 4.692 -1.184 7.151 1.00 0.43 C ATOM 920 N6 A A 11 4.887 -2.124 6.218 1.00 0.49 N ATOM 921 N1 A A 11 3.494 -1.136 7.770 1.00 0.40 N ATOM 922 C2 A A 11 3.287 -0.202 8.704 1.00 0.37 C ATOM 923 N3 A A 11 4.113 0.742 9.148 1.00 0.37 N ATOM 924 C4 A A 11 5.297 0.670 8.515 1.00 0.39 C ATOM 0 H5' A A 11 10.082 4.763 9.205 1.00 0.56 H new ATOM 0 H5'' A A 11 10.661 3.489 10.260 1.00 0.56 H new ATOM 0 H4' A A 11 8.411 4.581 10.738 1.00 0.49 H new ATOM 0 H3' A A 11 8.931 1.596 10.862 1.00 0.47 H new ATOM 0 H2' A A 11 6.606 1.184 11.321 1.00 0.43 H new ATOM 0 HO2' A A 11 5.934 2.519 12.775 1.00 0.47 H new ATOM 0 H1' A A 11 5.531 3.108 9.651 1.00 0.42 H new ATOM 0 H8 A A 11 8.338 1.447 7.760 1.00 0.46 H new ATOM 0 H61 A A 11 4.140 -2.780 5.991 1.00 0.49 H new ATOM 0 H62 A A 11 5.783 -2.184 5.734 1.00 0.49 H new ATOM 0 H2 A A 11 2.310 -0.216 9.164 1.00 0.37 H new ATOM 936 P G A 12 8.191 2.086 13.730 1.00 0.56 P ATOM 937 OP1 G A 12 6.745 1.837 13.529 1.00 0.65 O ATOM 938 OP2 G A 12 8.635 2.862 14.917 1.00 0.68 O ATOM 939 O5' G A 12 8.976 0.696 13.770 1.00 0.50 O ATOM 940 C5' G A 12 8.490 -0.482 13.082 1.00 0.47 C ATOM 941 C4' G A 12 6.984 -0.564 13.163 1.00 0.42 C ATOM 942 O4' G A 12 6.466 -0.337 11.831 1.00 0.40 O ATOM 943 C3' G A 12 6.429 -1.921 13.549 1.00 0.39 C ATOM 944 O3' G A 12 6.337 -2.043 14.965 1.00 0.43 O ATOM 945 C2' G A 12 5.045 -1.913 12.908 1.00 0.35 C ATOM 946 O2' G A 12 4.070 -1.287 13.720 1.00 0.37 O ATOM 947 C1' G A 12 5.281 -1.083 11.643 1.00 0.35 C ATOM 948 N9 G A 12 5.472 -1.924 10.469 1.00 0.33 N ATOM 949 C8 G A 12 6.565 -1.946 9.639 1.00 0.36 C ATOM 950 N7 G A 12 6.452 -2.809 8.666 1.00 0.36 N ATOM 951 C5 G A 12 5.209 -3.394 8.870 1.00 0.33 C ATOM 952 C6 G A 12 4.538 -4.399 8.134 1.00 0.36 C ATOM 953 O6 G A 12 4.922 -4.997 7.123 1.00 0.40 O ATOM 954 N1 G A 12 3.294 -4.697 8.683 1.00 0.36 N ATOM 955 C2 G A 12 2.769 -4.100 9.804 1.00 0.34 C ATOM 956 N2 G A 12 1.554 -4.524 10.182 1.00 0.37 N ATOM 957 N3 G A 12 3.385 -3.160 10.499 1.00 0.31 N ATOM 958 C4 G A 12 4.592 -2.858 9.979 1.00 0.31 C ATOM 0 H5' G A 12 8.932 -1.375 13.523 1.00 0.47 H new ATOM 0 H5'' G A 12 8.802 -0.454 12.038 1.00 0.47 H new ATOM 0 H4' G A 12 6.695 0.160 13.925 1.00 0.42 H new ATOM 0 H3' G A 12 7.050 -2.755 13.222 1.00 0.39 H new ATOM 0 H2' G A 12 4.662 -2.919 12.735 1.00 0.35 H new ATOM 0 HO2' G A 12 4.371 -1.289 14.653 1.00 0.37 H new ATOM 0 H1' G A 12 4.409 -0.451 11.479 1.00 0.35 H new ATOM 0 H8 G A 12 7.430 -1.314 9.777 1.00 0.36 H new ATOM 0 H1 G A 12 2.731 -5.410 8.220 1.00 0.36 H new ATOM 0 H21 G A 12 1.107 -4.122 11.006 1.00 0.37 H new ATOM 0 H22 G A 12 1.077 -5.249 9.645 1.00 0.37 H new ATOM 970 P G A 13 7.036 -3.287 15.703 1.00 0.51 P ATOM 971 OP1 G A 13 7.358 -2.859 17.088 1.00 0.59 O ATOM 972 OP2 G A 13 8.116 -3.805 14.826 1.00 0.57 O ATOM 973 O5' G A 13 5.885 -4.386 15.781 1.00 0.57 O ATOM 974 C5' G A 13 4.634 -4.100 16.434 1.00 0.62 C ATOM 975 C4' G A 13 3.607 -5.139 16.069 1.00 0.60 C ATOM 976 O4' G A 13 3.171 -4.892 14.709 1.00 0.59 O ATOM 977 C3' G A 13 4.143 -6.556 16.051 1.00 0.59 C ATOM 978 O3' G A 13 4.052 -7.150 17.348 1.00 0.66 O ATOM 979 C2' G A 13 3.238 -7.251 15.041 1.00 0.57 C ATOM 980 O2' G A 13 2.048 -7.772 15.604 1.00 0.63 O ATOM 981 C1' G A 13 2.903 -6.122 14.064 1.00 0.54 C ATOM 982 N9 G A 13 3.708 -6.183 12.849 1.00 0.50 N ATOM 983 C8 G A 13 4.816 -5.429 12.545 1.00 0.54 C ATOM 984 N7 G A 13 5.326 -5.717 11.378 1.00 0.56 N ATOM 985 C5 G A 13 4.505 -6.722 10.882 1.00 0.50 C ATOM 986 C6 G A 13 4.560 -7.435 9.656 1.00 0.53 C ATOM 987 O6 G A 13 5.374 -7.316 8.732 1.00 0.60 O ATOM 988 N1 G A 13 3.532 -8.368 9.556 1.00 0.51 N ATOM 989 C2 G A 13 2.575 -8.586 10.519 1.00 0.48 C ATOM 990 N2 G A 13 1.665 -9.530 10.246 1.00 0.52 N ATOM 991 N3 G A 13 2.514 -7.929 11.665 1.00 0.47 N ATOM 992 C4 G A 13 3.502 -7.019 11.779 1.00 0.47 C ATOM 0 H5' G A 13 4.281 -3.111 16.142 1.00 0.62 H new ATOM 0 H5'' G A 13 4.775 -4.082 17.515 1.00 0.62 H new ATOM 0 H4' G A 13 2.824 -5.059 16.823 1.00 0.60 H new ATOM 0 H3' G A 13 5.198 -6.622 15.784 1.00 0.59 H new ATOM 0 H2' G A 13 3.727 -8.119 14.598 1.00 0.57 H new ATOM 0 HO2' G A 13 1.561 -7.055 16.062 1.00 0.63 H new ATOM 0 H1' G A 13 1.856 -6.220 13.779 1.00 0.54 H new ATOM 0 H8 G A 13 5.223 -4.676 13.203 1.00 0.54 H new ATOM 0 H1 G A 13 3.485 -8.931 8.707 1.00 0.51 H new ATOM 0 H21 G A 13 0.929 -9.739 10.920 1.00 0.52 H new ATOM 0 H22 G A 13 1.708 -10.040 9.364 1.00 0.52 H new ATOM 1004 P G A 14 2.622 -7.309 18.070 1.00 0.74 P ATOM 1005 OP1 G A 14 1.630 -6.448 17.378 1.00 0.90 O ATOM 1006 OP2 G A 14 2.844 -7.141 19.529 1.00 0.80 O ATOM 1007 O5' G A 14 2.235 -8.831 17.806 1.00 0.68 O ATOM 1008 C5' G A 14 3.233 -9.779 17.389 1.00 0.70 C ATOM 1009 C4' G A 14 2.596 -10.910 16.621 1.00 0.68 C ATOM 1010 O4' G A 14 2.353 -10.457 15.268 1.00 0.67 O ATOM 1011 C3' G A 14 3.486 -12.127 16.460 1.00 0.67 C ATOM 1012 O3' G A 14 3.335 -13.013 17.564 1.00 0.77 O ATOM 1013 C2' G A 14 2.977 -12.756 15.168 1.00 0.67 C ATOM 1014 O2' G A 14 1.873 -13.615 15.376 1.00 0.80 O ATOM 1015 C1' G A 14 2.534 -11.531 14.366 1.00 0.61 C ATOM 1016 N9 G A 14 3.540 -11.123 13.394 1.00 0.50 N ATOM 1017 C8 G A 14 4.392 -10.050 13.493 1.00 0.50 C ATOM 1018 N7 G A 14 5.193 -9.937 12.469 1.00 0.47 N ATOM 1019 C5 G A 14 4.848 -11.000 11.645 1.00 0.41 C ATOM 1020 C6 G A 14 5.374 -11.394 10.389 1.00 0.40 C ATOM 1021 O6 G A 14 6.280 -10.863 9.736 1.00 0.45 O ATOM 1022 N1 G A 14 4.737 -12.533 9.897 1.00 0.41 N ATOM 1023 C2 G A 14 3.722 -13.199 10.541 1.00 0.46 C ATOM 1024 N2 G A 14 3.231 -14.276 9.911 1.00 0.55 N ATOM 1025 N3 G A 14 3.223 -12.841 11.712 1.00 0.49 N ATOM 1026 C4 G A 14 3.829 -11.740 12.202 1.00 0.44 C ATOM 0 H5' G A 14 3.757 -10.172 18.260 1.00 0.70 H new ATOM 0 H5'' G A 14 3.978 -9.283 16.767 1.00 0.70 H new ATOM 0 H4' G A 14 1.705 -11.186 17.184 1.00 0.68 H new ATOM 0 H3' G A 14 4.549 -11.887 16.425 1.00 0.67 H new ATOM 0 H2' G A 14 3.732 -13.377 14.686 1.00 0.67 H new ATOM 0 HO2' G A 14 1.585 -13.991 14.518 1.00 0.80 H new ATOM 0 H1' G A 14 1.618 -11.788 13.834 1.00 0.61 H new ATOM 0 H8 G A 14 4.398 -9.370 14.332 1.00 0.50 H new ATOM 0 H1 G A 14 5.046 -12.897 8.996 1.00 0.41 H new ATOM 0 H21 G A 14 2.476 -14.815 10.335 1.00 0.55 H new ATOM 0 H22 G A 14 3.612 -14.556 9.007 1.00 0.55 H new ATOM 1038 P C A 15 4.588 -13.889 18.054 1.00 0.87 P ATOM 1039 OP1 C A 15 4.238 -14.469 19.374 1.00 0.91 O ATOM 1040 OP2 C A 15 5.817 -13.065 17.917 1.00 1.02 O ATOM 1041 O5' C A 15 4.656 -15.073 16.991 1.00 0.85 O ATOM 1042 C5' C A 15 3.483 -15.842 16.680 1.00 0.94 C ATOM 1043 C4' C A 15 3.727 -16.702 15.463 1.00 0.97 C ATOM 1044 O4' C A 15 3.765 -15.866 14.282 1.00 0.84 O ATOM 1045 C3' C A 15 5.080 -17.387 15.444 1.00 1.09 C ATOM 1046 O3' C A 15 5.047 -18.607 16.195 1.00 1.31 O ATOM 1047 C2' C A 15 5.292 -17.667 13.960 1.00 1.09 C ATOM 1048 O2' C A 15 4.723 -18.894 13.544 1.00 1.30 O ATOM 1049 C1' C A 15 4.563 -16.496 13.297 1.00 0.89 C ATOM 1050 N1 C A 15 5.500 -15.510 12.743 1.00 0.75 N ATOM 1051 C2 C A 15 6.166 -15.823 11.556 1.00 0.77 C ATOM 1052 O2 C A 15 5.936 -16.910 11.007 1.00 0.89 O ATOM 1053 N3 C A 15 7.040 -14.941 11.037 1.00 0.70 N ATOM 1054 C4 C A 15 7.262 -13.784 11.653 1.00 0.66 C ATOM 1055 N4 C A 15 8.135 -12.954 11.096 1.00 0.71 N ATOM 1056 C5 C A 15 6.599 -13.433 12.864 1.00 0.64 C ATOM 1057 C6 C A 15 5.731 -14.319 13.371 1.00 0.66 C ATOM 0 H5' C A 15 2.640 -15.175 16.499 1.00 0.94 H new ATOM 0 H5'' C A 15 3.216 -16.470 17.530 1.00 0.94 H new ATOM 0 H4' C A 15 2.925 -17.439 15.487 1.00 0.97 H new ATOM 0 H3' C A 15 5.875 -16.790 15.891 1.00 1.09 H new ATOM 0 H2' C A 15 6.348 -17.752 13.705 1.00 1.09 H new ATOM 0 HO2' C A 15 4.627 -19.489 14.317 1.00 1.30 H new ATOM 0 HO3' C A 15 5.930 -19.032 16.167 1.00 1.31 H new ATOM 0 H1' C A 15 3.960 -16.880 12.474 1.00 0.89 H new ATOM 0 H41 C A 15 8.336 -12.055 11.535 1.00 0.71 H new ATOM 0 H42 C A 15 8.605 -13.215 10.229 1.00 0.71 H new ATOM 0 H5 C A 15 6.789 -12.490 13.354 1.00 0.64 H new ATOM 0 H6 C A 15 5.208 -14.089 14.287 1.00 0.66 H new TER 1069 C A 15