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 52:sc= -6.14! USER MOD Single : A 2 C O2' : rot -22:sc= 0.186 USER MOD Single : A 3 C O2' : rot 49:sc= -6.31! USER MOD Single : A 4 C O2' : rot 5:sc= -1.1 USER MOD Single : A 5 U O2' : rot -16:sc= -1.07 USER MOD Single : A 6 G O2' : rot -110:sc= 0.718 USER MOD Single : A 7 A O2' : rot 180:sc= -4.85! USER MOD Single : A 8 A O2' : rot 43:sc= -2.7! USER MOD Single : A 9 A O2' : rot -18:sc= 0.116 USER MOD Single : A 10 A O2' : rot -17:sc= 0.136 USER MOD Single : A 11 A O2' : rot -85:sc= -0.899! USER MOD Single : A 12 G O2' : rot -22:sc= 0.156 USER MOD Single : A 13 G O2' : rot 59:sc= -5.6! USER MOD Single : A 14 G O2' : rot 180:sc= -1.39 USER MOD Single : A 15 C O2' : rot -18:sc= 0.173 USER MOD Single : A 15 C O3' : rot 180:sc= 0.187 USER MOD Single : B 4 GLN : amide:sc= -3.62! C(o=-3.6!,f=-5.2!) 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= -2.5! C(o=-4.2!,f=-2.5!) USER MOD Single : B 17 GLN : amide:sc= -0.0559 X(o=-0.056,f=0) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.76! C(o=-6.3!,f=-5.8!) 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 K(o=0,f=-0.78) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 9.989 -13.731 0.303 1.00 0.76 N ATOM 2 CA ASP B 2 9.294 -12.704 1.135 1.00 0.88 C ATOM 3 C ASP B 2 7.787 -12.942 1.115 1.00 0.68 C ATOM 4 O ASP B 2 7.319 -14.020 0.807 1.00 0.66 O ATOM 5 CB ASP B 2 9.627 -11.356 0.491 1.00 1.25 C ATOM 6 CG ASP B 2 11.142 -11.228 0.304 1.00 1.88 C ATOM 7 OD1 ASP B 2 11.831 -11.099 1.302 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.584 -11.264 -0.831 1.00 2.37 O ATOM 0 HA ASP B 2 9.614 -12.743 2.176 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.124 -11.269 -0.472 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.259 -10.543 1.117 1.00 1.25 H new ATOM 15 N ALA B 3 7.030 -11.938 1.444 1.00 0.63 N ATOM 16 CA ALA B 3 5.546 -12.089 1.452 1.00 0.58 C ATOM 17 C ALA B 3 4.870 -10.722 1.380 1.00 0.63 C ATOM 18 O ALA B 3 3.891 -10.542 0.681 1.00 0.61 O ATOM 19 CB ALA B 3 5.227 -12.779 2.776 1.00 0.75 C ATOM 0 H ALA B 3 7.373 -11.015 1.709 1.00 0.63 H new ATOM 0 HA ALA B 3 5.186 -12.661 0.597 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.150 -12.927 2.859 1.00 0.75 H new ATOM 0 HB2 ALA B 3 5.730 -13.745 2.813 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.573 -12.158 3.602 1.00 0.75 H new ATOM 25 N GLN B 4 5.384 -9.757 2.087 1.00 0.75 N ATOM 26 CA GLN B 4 4.766 -8.403 2.045 1.00 0.89 C ATOM 27 C GLN B 4 4.991 -7.795 0.679 1.00 0.79 C ATOM 28 O GLN B 4 4.058 -7.439 -0.014 1.00 0.81 O ATOM 29 CB GLN B 4 5.491 -7.591 3.115 1.00 1.09 C ATOM 30 CG GLN B 4 4.946 -6.161 3.131 1.00 1.29 C ATOM 31 CD GLN B 4 5.666 -5.354 4.211 1.00 0.85 C ATOM 32 OE1 GLN B 4 6.135 -5.907 5.186 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.779 -4.062 4.076 1.00 0.94 N ATOM 0 H GLN B 4 6.202 -9.845 2.690 1.00 0.75 H new ATOM 0 HA GLN B 4 3.691 -8.429 2.225 1.00 0.89 H new ATOM 0 HB2 GLN B 4 5.354 -8.054 4.092 1.00 1.09 H new ATOM 0 HB3 GLN B 4 6.562 -7.580 2.914 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.090 -5.694 2.156 1.00 1.29 H new ATOM 0 HG3 GLN B 4 3.873 -6.171 3.324 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.385 -3.598 3.257 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.261 -3.515 4.789 1.00 0.94 H new ATOM 42 N THR B 5 6.225 -7.692 0.276 1.00 0.76 N ATOM 43 CA THR B 5 6.512 -7.131 -1.073 1.00 0.79 C ATOM 44 C THR B 5 5.607 -7.839 -2.078 1.00 0.59 C ATOM 45 O THR B 5 5.144 -7.260 -3.041 1.00 0.57 O ATOM 46 CB THR B 5 7.981 -7.440 -1.344 1.00 0.94 C ATOM 47 OG1 THR B 5 8.788 -6.803 -0.364 1.00 1.26 O ATOM 48 CG2 THR B 5 8.349 -6.921 -2.730 1.00 0.94 C ATOM 0 H THR B 5 7.043 -7.970 0.818 1.00 0.76 H new ATOM 0 HA THR B 5 6.330 -6.059 -1.145 1.00 0.79 H new ATOM 0 HB THR B 5 8.148 -8.516 -1.299 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.732 -7.003 -0.537 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.398 -7.137 -2.933 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.726 -7.410 -3.479 1.00 0.94 H new ATOM 0 HG23 THR B 5 8.186 -5.844 -2.770 1.00 0.94 H new ATOM 56 N ARG B 6 5.319 -9.086 -1.817 1.00 0.48 N ATOM 57 CA ARG B 6 4.402 -9.841 -2.705 1.00 0.46 C ATOM 58 C ARG B 6 2.988 -9.374 -2.436 1.00 0.43 C ATOM 59 O ARG B 6 2.207 -9.148 -3.338 1.00 0.45 O ATOM 60 CB ARG B 6 4.516 -11.299 -2.274 1.00 0.56 C ATOM 61 CG ARG B 6 5.167 -12.124 -3.388 1.00 0.78 C ATOM 62 CD ARG B 6 6.563 -12.574 -2.947 1.00 1.03 C ATOM 63 NE ARG B 6 6.352 -13.903 -2.306 1.00 0.88 N ATOM 64 CZ ARG B 6 6.064 -14.957 -3.031 1.00 0.73 C ATOM 65 NH1 ARG B 6 5.956 -14.864 -4.332 1.00 1.26 N ATOM 66 NH2 ARG B 6 5.883 -16.111 -2.450 1.00 1.43 N ATOM 0 H ARG B 6 5.683 -9.612 -1.023 1.00 0.48 H new ATOM 0 HA ARG B 6 4.642 -9.703 -3.759 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.109 -11.372 -1.362 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.528 -11.698 -2.045 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.550 -12.993 -3.619 1.00 0.78 H new ATOM 0 HG3 ARG B 6 5.236 -11.531 -4.300 1.00 0.78 H new ATOM 0 HD2 ARG B 6 7.241 -12.648 -3.797 1.00 1.03 H new ATOM 0 HD3 ARG B 6 7.005 -11.864 -2.248 1.00 1.03 H new ATOM 0 HE ARG B 6 6.432 -13.994 -1.293 1.00 0.88 H new ATOM 0 HH11 ARG B 6 6.096 -13.965 -4.792 1.00 1.26 H new ATOM 0 HH12 ARG B 6 5.732 -15.691 -4.886 1.00 1.26 H new ATOM 0 HH21 ARG B 6 5.966 -16.190 -1.436 1.00 1.43 H new ATOM 0 HH22 ARG B 6 5.659 -16.934 -3.009 1.00 1.43 H new ATOM 80 N ARG B 7 2.655 -9.242 -1.181 1.00 0.61 N ATOM 81 CA ARG B 7 1.287 -8.804 -0.837 1.00 0.80 C ATOM 82 C ARG B 7 1.023 -7.429 -1.454 1.00 0.65 C ATOM 83 O ARG B 7 -0.080 -7.118 -1.855 1.00 0.56 O ATOM 84 CB ARG B 7 1.252 -8.730 0.692 1.00 1.16 C ATOM 85 CG ARG B 7 -0.034 -8.031 1.149 1.00 1.10 C ATOM 86 CD ARG B 7 0.106 -7.608 2.612 1.00 0.92 C ATOM 87 NE ARG B 7 -0.687 -6.353 2.736 1.00 0.41 N ATOM 88 CZ ARG B 7 -1.991 -6.379 2.680 1.00 0.93 C ATOM 89 NH1 ARG B 7 -2.631 -7.510 2.510 1.00 1.61 N ATOM 90 NH2 ARG B 7 -2.652 -5.261 2.795 1.00 1.08 N ATOM 0 H ARG B 7 3.272 -9.419 -0.388 1.00 0.61 H new ATOM 0 HA ARG B 7 0.524 -9.484 -1.216 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.301 -9.733 1.115 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.122 -8.186 1.059 1.00 1.16 H new ATOM 0 HG2 ARG B 7 -0.228 -7.159 0.524 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.886 -8.702 1.033 1.00 1.10 H new ATOM 0 HD2 ARG B 7 -0.272 -8.380 3.282 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.151 -7.441 2.875 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.206 -5.463 2.866 1.00 0.41 H new ATOM 0 HH11 ARG B 7 -2.110 -8.382 2.420 1.00 1.61 H new ATOM 0 HH12 ARG B 7 -3.650 -7.518 2.468 1.00 1.61 H new ATOM 0 HH21 ARG B 7 -2.150 -4.383 2.927 1.00 1.08 H new ATOM 0 HH22 ARG B 7 -3.671 -5.264 2.753 1.00 1.08 H new ATOM 104 N ARG B 8 2.035 -6.609 -1.536 1.00 0.68 N ATOM 105 CA ARG B 8 1.856 -5.254 -2.130 1.00 0.67 C ATOM 106 C ARG B 8 1.295 -5.394 -3.531 1.00 0.48 C ATOM 107 O ARG B 8 0.424 -4.648 -3.936 1.00 0.50 O ATOM 108 CB ARG B 8 3.256 -4.642 -2.159 1.00 0.77 C ATOM 109 CG ARG B 8 3.162 -3.129 -1.961 1.00 0.73 C ATOM 110 CD ARG B 8 3.043 -2.811 -0.468 1.00 0.73 C ATOM 111 NE ARG B 8 4.229 -3.465 0.168 1.00 0.85 N ATOM 112 CZ ARG B 8 5.430 -2.965 0.023 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.620 -1.881 -0.680 1.00 1.16 N ATOM 114 NH2 ARG B 8 6.449 -3.555 0.587 1.00 1.43 N ATOM 0 H ARG B 8 2.980 -6.820 -1.216 1.00 0.68 H new ATOM 0 HA ARG B 8 1.164 -4.630 -1.564 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.872 -5.083 -1.376 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.741 -4.865 -3.110 1.00 0.77 H new ATOM 0 HG2 ARG B 8 4.044 -2.642 -2.377 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.298 -2.735 -2.497 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.046 -1.735 -0.293 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.111 -3.199 -0.056 1.00 0.73 H new ATOM 0 HE ARG B 8 4.100 -4.312 0.722 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.828 -1.415 -1.123 1.00 1.16 H new ATOM 0 HH12 ARG B 8 6.560 -1.500 -0.786 1.00 1.16 H new ATOM 0 HH21 ARG B 8 6.307 -4.402 1.138 1.00 1.43 H new ATOM 0 HH22 ARG B 8 7.387 -3.169 0.477 1.00 1.43 H new ATOM 128 N GLU B 9 1.742 -6.372 -4.261 1.00 0.38 N ATOM 129 CA GLU B 9 1.169 -6.572 -5.617 1.00 0.34 C ATOM 130 C GLU B 9 -0.314 -6.866 -5.437 1.00 0.31 C ATOM 131 O GLU B 9 -1.144 -6.499 -6.247 1.00 0.34 O ATOM 132 CB GLU B 9 1.913 -7.767 -6.217 1.00 0.40 C ATOM 133 CG GLU B 9 3.385 -7.399 -6.431 1.00 0.59 C ATOM 134 CD GLU B 9 3.692 -7.354 -7.929 1.00 1.24 C ATOM 135 OE1 GLU B 9 3.293 -6.394 -8.568 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.321 -8.281 -8.414 1.00 1.88 O ATOM 0 H GLU B 9 2.468 -7.033 -3.984 1.00 0.38 H new ATOM 0 HA GLU B 9 1.274 -5.709 -6.274 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.835 -8.628 -5.553 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.457 -8.054 -7.165 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.598 -6.431 -5.977 1.00 0.59 H new ATOM 0 HG3 GLU B 9 4.028 -8.130 -5.940 1.00 0.59 H new ATOM 143 N ARG B 10 -0.645 -7.478 -4.334 1.00 0.31 N ATOM 144 CA ARG B 10 -2.066 -7.752 -4.028 1.00 0.38 C ATOM 145 C ARG B 10 -2.703 -6.461 -3.531 1.00 0.35 C ATOM 146 O ARG B 10 -3.911 -6.336 -3.465 1.00 0.40 O ATOM 147 CB ARG B 10 -2.046 -8.807 -2.922 1.00 0.46 C ATOM 148 CG ARG B 10 -2.630 -10.116 -3.450 1.00 0.73 C ATOM 149 CD ARG B 10 -2.243 -11.261 -2.513 1.00 0.67 C ATOM 150 NE ARG B 10 -3.292 -12.302 -2.721 1.00 1.55 N ATOM 151 CZ ARG B 10 -3.165 -13.494 -2.192 1.00 2.12 C ATOM 152 NH1 ARG B 10 -2.116 -13.798 -1.469 1.00 3.14 N ATOM 153 NH2 ARG B 10 -4.094 -14.388 -2.388 1.00 2.20 N ATOM 0 H ARG B 10 0.018 -7.801 -3.629 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.634 -8.102 -4.890 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.025 -8.966 -2.576 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.622 -8.460 -2.064 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.715 -10.040 -3.520 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.258 -10.313 -4.456 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.252 -11.647 -2.750 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.216 -10.930 -1.475 1.00 0.67 H new ATOM 0 HE ARG B 10 -4.116 -12.083 -3.281 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -1.386 -13.103 -1.312 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -2.029 -14.730 -1.063 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -4.913 -14.157 -2.950 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -4.001 -15.318 -1.979 1.00 2.20 H new ATOM 167 N ARG B 11 -1.895 -5.490 -3.192 1.00 0.29 N ATOM 168 CA ARG B 11 -2.453 -4.208 -2.716 1.00 0.29 C ATOM 169 C ARG B 11 -2.585 -3.229 -3.872 1.00 0.24 C ATOM 170 O ARG B 11 -3.033 -2.119 -3.687 1.00 0.25 O ATOM 171 CB ARG B 11 -1.467 -3.677 -1.677 1.00 0.32 C ATOM 172 CG ARG B 11 -1.435 -4.604 -0.447 1.00 0.41 C ATOM 173 CD ARG B 11 -2.863 -4.871 0.046 1.00 0.55 C ATOM 174 NE ARG B 11 -2.966 -6.360 0.088 1.00 1.59 N ATOM 175 CZ ARG B 11 -4.135 -6.953 0.143 1.00 2.18 C ATOM 176 NH1 ARG B 11 -5.240 -6.252 0.162 1.00 3.24 N ATOM 177 NH2 ARG B 11 -4.197 -8.256 0.179 1.00 1.76 N ATOM 0 H ARG B 11 -0.877 -5.537 -3.227 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.447 -4.339 -2.289 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.471 -3.607 -2.114 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.754 -2.670 -1.374 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.948 -5.545 -0.703 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.846 -4.147 0.348 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -3.033 -4.433 1.029 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.604 -4.440 -0.628 1.00 0.55 H new ATOM 0 HE ARG B 11 -2.116 -6.924 0.074 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -5.198 -5.233 0.134 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -6.143 -6.724 0.205 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.339 -8.808 0.164 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -5.103 -8.722 0.222 1.00 1.76 H new ATOM 191 N ALA B 12 -2.233 -3.625 -5.071 1.00 0.24 N ATOM 192 CA ALA B 12 -2.392 -2.683 -6.219 1.00 0.28 C ATOM 193 C ALA B 12 -3.845 -2.207 -6.243 1.00 0.31 C ATOM 194 O ALA B 12 -4.152 -1.119 -6.690 1.00 0.33 O ATOM 195 CB ALA B 12 -2.062 -3.502 -7.467 1.00 0.34 C ATOM 0 H ALA B 12 -1.850 -4.542 -5.301 1.00 0.24 H new ATOM 0 HA ALA B 12 -1.748 -1.806 -6.154 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.158 -2.872 -8.351 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.041 -3.876 -7.397 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -2.752 -4.343 -7.543 1.00 0.34 H new ATOM 201 N GLU B 13 -4.736 -3.015 -5.723 1.00 0.34 N ATOM 202 CA GLU B 13 -6.165 -2.614 -5.667 1.00 0.41 C ATOM 203 C GLU B 13 -6.346 -1.621 -4.521 1.00 0.38 C ATOM 204 O GLU B 13 -7.141 -0.706 -4.601 1.00 0.42 O ATOM 205 CB GLU B 13 -6.942 -3.905 -5.399 1.00 0.48 C ATOM 206 CG GLU B 13 -6.917 -4.786 -6.650 1.00 0.52 C ATOM 207 CD GLU B 13 -7.379 -6.199 -6.290 1.00 0.77 C ATOM 208 OE1 GLU B 13 -8.434 -6.320 -5.691 1.00 1.15 O ATOM 209 OE2 GLU B 13 -6.671 -7.135 -6.621 1.00 1.18 O ATOM 0 H GLU B 13 -4.529 -3.936 -5.336 1.00 0.34 H new ATOM 0 HA GLU B 13 -6.512 -2.136 -6.583 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.502 -4.439 -4.557 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -7.971 -3.672 -5.126 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -7.566 -4.364 -7.417 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -5.910 -4.816 -7.066 1.00 0.52 H new ATOM 216 N LYS B 14 -5.578 -1.769 -3.469 1.00 0.33 N ATOM 217 CA LYS B 14 -5.675 -0.801 -2.345 1.00 0.33 C ATOM 218 C LYS B 14 -4.886 0.441 -2.747 1.00 0.28 C ATOM 219 O LYS B 14 -5.244 1.563 -2.447 1.00 0.30 O ATOM 220 CB LYS B 14 -5.021 -1.506 -1.156 1.00 0.31 C ATOM 221 CG LYS B 14 -5.867 -2.712 -0.744 1.00 0.38 C ATOM 222 CD LYS B 14 -7.137 -2.228 -0.039 1.00 1.23 C ATOM 223 CE LYS B 14 -8.336 -3.057 -0.512 1.00 1.37 C ATOM 224 NZ LYS B 14 -9.520 -2.177 -0.298 1.00 1.83 N ATOM 0 H LYS B 14 -4.894 -2.515 -3.345 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.694 -0.500 -2.101 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -4.014 -1.829 -1.421 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.924 -0.814 -0.319 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -6.128 -3.303 -1.622 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -5.295 -3.361 -0.081 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -7.023 -2.319 1.041 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.304 -1.173 -0.254 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -8.235 -3.335 -1.561 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -8.424 -3.983 0.056 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -10.382 -2.675 -0.599 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -9.595 -1.934 0.711 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.411 -1.306 -0.856 1.00 1.83 H new ATOM 238 N GLN B 15 -3.818 0.218 -3.455 1.00 0.25 N ATOM 239 CA GLN B 15 -2.961 1.325 -3.944 1.00 0.24 C ATOM 240 C GLN B 15 -3.694 2.102 -5.029 1.00 0.28 C ATOM 241 O GLN B 15 -3.793 3.305 -4.981 1.00 0.28 O ATOM 242 CB GLN B 15 -1.738 0.609 -4.527 1.00 0.24 C ATOM 243 CG GLN B 15 -0.530 0.838 -3.623 1.00 0.25 C ATOM 244 CD GLN B 15 0.429 -0.343 -3.764 1.00 0.30 C ATOM 245 OE1 GLN B 15 0.056 -1.516 -3.333 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.524 -0.197 -4.268 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.496 -0.712 -3.721 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.695 2.041 -3.167 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -1.939 -0.458 -4.619 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.530 0.982 -5.530 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.027 1.766 -3.895 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.850 0.941 -2.586 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.812 0.722 -4.604 1.00 0.33 H new ATOM 0 HE22 GLN B 15 2.155 -0.993 -4.355 1.00 0.33 H new ATOM 255 N ALA B 16 -4.214 1.418 -6.005 1.00 0.35 N ATOM 256 CA ALA B 16 -4.948 2.129 -7.091 1.00 0.41 C ATOM 257 C ALA B 16 -6.215 2.762 -6.522 1.00 0.40 C ATOM 258 O ALA B 16 -6.700 3.756 -7.028 1.00 0.43 O ATOM 259 CB ALA B 16 -5.291 1.054 -8.121 1.00 0.48 C ATOM 0 H ALA B 16 -4.165 0.404 -6.101 1.00 0.35 H new ATOM 0 HA ALA B 16 -4.359 2.930 -7.538 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -5.834 1.506 -8.951 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -4.372 0.599 -8.492 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -5.912 0.289 -7.655 1.00 0.48 H new ATOM 265 N GLN B 17 -6.741 2.221 -5.455 1.00 0.40 N ATOM 266 CA GLN B 17 -7.954 2.834 -4.852 1.00 0.42 C ATOM 267 C GLN B 17 -7.507 4.025 -4.021 1.00 0.37 C ATOM 268 O GLN B 17 -8.156 5.050 -3.963 1.00 0.40 O ATOM 269 CB GLN B 17 -8.570 1.748 -3.971 1.00 0.45 C ATOM 270 CG GLN B 17 -9.491 0.865 -4.815 1.00 0.53 C ATOM 271 CD GLN B 17 -10.931 1.370 -4.707 1.00 0.66 C ATOM 272 OE1 GLN B 17 -11.505 1.817 -5.681 1.00 1.06 O ATOM 273 NE2 GLN B 17 -11.546 1.316 -3.558 1.00 1.33 N ATOM 0 H GLN B 17 -6.386 1.390 -4.981 1.00 0.40 H new ATOM 0 HA GLN B 17 -8.679 3.182 -5.588 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.784 1.143 -3.518 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.132 2.203 -3.155 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -9.168 0.877 -5.856 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.432 -0.169 -4.475 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -11.066 0.941 -2.740 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -12.507 1.648 -3.478 1.00 1.33 H new ATOM 282 N TRP B 18 -6.370 3.893 -3.403 1.00 0.32 N ATOM 283 CA TRP B 18 -5.819 5.006 -2.597 1.00 0.30 C ATOM 284 C TRP B 18 -5.226 6.047 -3.540 1.00 0.31 C ATOM 285 O TRP B 18 -5.456 7.233 -3.415 1.00 0.35 O ATOM 286 CB TRP B 18 -4.696 4.375 -1.779 1.00 0.25 C ATOM 287 CG TRP B 18 -3.949 5.461 -1.083 1.00 0.24 C ATOM 288 CD1 TRP B 18 -4.150 5.888 0.180 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.884 6.271 -1.620 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.270 6.929 0.438 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.464 7.189 -0.641 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.249 6.286 -2.856 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.441 8.097 -0.890 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.227 7.185 -3.112 1.00 0.36 C ATOM 295 CH2 TRP B 18 -0.821 8.089 -2.140 1.00 0.38 C ATOM 0 H TRP B 18 -5.795 3.051 -3.424 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.570 5.488 -1.971 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.105 3.672 -1.054 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.026 3.810 -2.428 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.874 5.487 0.874 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -3.228 7.438 1.321 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.555 5.591 -3.624 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.131 8.797 -0.128 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -0.741 7.183 -4.077 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.024 8.787 -2.351 1.00 0.38 H new ATOM 306 N LYS B 19 -4.459 5.588 -4.482 1.00 0.30 N ATOM 307 CA LYS B 19 -3.819 6.507 -5.458 1.00 0.37 C ATOM 308 C LYS B 19 -4.908 7.259 -6.191 1.00 0.46 C ATOM 309 O LYS B 19 -4.766 8.417 -6.532 1.00 0.70 O ATOM 310 CB LYS B 19 -3.045 5.610 -6.426 1.00 0.40 C ATOM 311 CG LYS B 19 -1.751 5.114 -5.777 1.00 0.49 C ATOM 312 CD LYS B 19 -0.764 4.695 -6.868 1.00 0.96 C ATOM 313 CE LYS B 19 -1.124 3.297 -7.376 1.00 1.30 C ATOM 314 NZ LYS B 19 0.033 2.885 -8.218 1.00 1.92 N ATOM 0 H LYS B 19 -4.245 4.600 -4.620 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.157 7.233 -4.986 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -3.662 4.760 -6.716 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -2.814 6.162 -7.337 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.316 5.900 -5.160 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -1.961 4.271 -5.118 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -0.790 5.410 -7.690 1.00 0.96 H new ATOM 0 HD3 LYS B 19 0.252 4.699 -6.474 1.00 0.96 H new ATOM 0 HE2 LYS B 19 -1.277 2.604 -6.549 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -2.048 3.313 -7.954 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 -0.139 1.934 -8.603 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 0.151 3.560 -9.001 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.897 2.873 -7.639 1.00 1.92 H new ATOM 328 N ALA B 20 -6.008 6.602 -6.427 1.00 0.44 N ATOM 329 CA ALA B 20 -7.119 7.279 -7.128 1.00 0.52 C ATOM 330 C ALA B 20 -7.591 8.478 -6.305 1.00 0.56 C ATOM 331 O ALA B 20 -8.072 9.460 -6.836 1.00 0.74 O ATOM 332 CB ALA B 20 -8.229 6.243 -7.232 1.00 0.55 C ATOM 0 H ALA B 20 -6.180 5.632 -6.165 1.00 0.44 H new ATOM 0 HA ALA B 20 -6.821 7.648 -8.110 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -9.087 6.679 -7.743 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -7.871 5.381 -7.795 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -8.525 5.926 -6.232 1.00 0.55 H new ATOM 338 N ALA B 21 -7.451 8.403 -5.006 1.00 0.54 N ATOM 339 CA ALA B 21 -7.886 9.538 -4.144 1.00 0.66 C ATOM 340 C ALA B 21 -6.702 10.090 -3.359 1.00 0.73 C ATOM 341 O ALA B 21 -6.854 10.690 -2.312 1.00 0.99 O ATOM 342 CB ALA B 21 -8.940 8.954 -3.205 1.00 0.71 C ATOM 0 H ALA B 21 -7.055 7.606 -4.508 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.287 10.366 -4.728 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.307 9.735 -2.539 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -9.769 8.558 -3.791 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.497 8.152 -2.614 1.00 0.71 H new ATOM 348 N ASN B 22 -5.531 9.912 -3.883 1.00 0.73 N ATOM 349 CA ASN B 22 -4.306 10.437 -3.212 1.00 0.88 C ATOM 350 C ASN B 22 -3.192 10.661 -4.239 1.00 1.08 C ATOM 351 O ASN B 22 -2.085 10.193 -4.066 1.00 0.00 O ATOM 352 CB ASN B 22 -3.879 9.377 -2.203 1.00 0.93 C ATOM 353 CG ASN B 22 -4.954 9.217 -1.132 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.520 8.058 -0.983 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.277 10.152 -0.427 1.00 0.94 N flip ATOM 0 H ASN B 22 -5.361 9.419 -4.760 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.504 11.392 -2.726 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -3.713 8.426 -2.709 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -2.933 9.661 -1.742 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.829 11.060 -0.548 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.996 10.029 0.286 1.00 0.94 H new ATOM 362 N PRO B 23 -3.518 11.394 -5.267 1.00 0.00 N ATOM 363 CA PRO B 23 -2.529 11.709 -6.313 1.00 0.00 C ATOM 364 C PRO B 23 -1.525 12.683 -5.714 1.00 0.00 C ATOM 365 O PRO B 23 -0.356 12.684 -6.044 1.00 0.00 O ATOM 366 CB PRO B 23 -3.358 12.352 -7.420 1.00 0.00 C ATOM 367 CG PRO B 23 -4.567 12.889 -6.728 1.00 0.00 C ATOM 368 CD PRO B 23 -4.814 12.000 -5.535 1.00 0.00 C ATOM 0 HA PRO B 23 -1.970 10.854 -6.694 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -2.803 13.146 -7.920 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -3.630 11.624 -8.184 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -4.408 13.921 -6.415 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -5.428 12.888 -7.396 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -5.171 12.572 -4.679 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -5.570 11.245 -5.751 1.00 0.00 H new ATOM 376 N LEU B 24 -1.987 13.495 -4.800 1.00 0.00 N ATOM 377 CA LEU B 24 -1.087 14.470 -4.122 1.00 0.00 C ATOM 378 C LEU B 24 0.111 13.724 -3.529 1.00 0.00 C ATOM 379 O LEU B 24 1.226 14.204 -3.522 1.00 0.00 O ATOM 380 CB LEU B 24 -1.961 15.112 -3.023 1.00 0.00 C ATOM 381 CG LEU B 24 -1.877 14.321 -1.696 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.446 15.180 -0.565 1.00 0.00 C ATOM 383 CD2 LEU B 24 -2.690 13.016 -1.791 1.00 0.00 C ATOM 0 H LEU B 24 -2.959 13.523 -4.492 1.00 0.00 H new ATOM 0 HA LEU B 24 -0.683 15.227 -4.794 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -1.640 16.140 -2.856 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -2.997 15.153 -3.358 1.00 0.00 H new ATOM 0 HG LEU B 24 -0.834 14.074 -1.499 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.390 14.629 0.374 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -1.868 16.100 -0.481 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -3.486 15.424 -0.781 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.619 12.474 -0.848 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -3.734 13.252 -1.996 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.293 12.398 -2.596 1.00 0.00 H new ATOM 395 N LEU B 25 -0.128 12.529 -3.070 1.00 0.00 N ATOM 396 CA LEU B 25 0.964 11.691 -2.511 1.00 0.00 C ATOM 397 C LEU B 25 1.352 10.695 -3.592 1.00 0.00 C ATOM 398 O LEU B 25 1.667 9.549 -3.347 1.00 0.00 O ATOM 399 CB LEU B 25 0.336 10.985 -1.312 1.00 0.00 C ATOM 400 CG LEU B 25 0.491 11.859 -0.065 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.587 11.488 0.954 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.874 11.630 0.549 1.00 0.00 C ATOM 0 H LEU B 25 -1.049 12.092 -3.059 1.00 0.00 H new ATOM 0 HA LEU B 25 1.854 12.244 -2.210 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -0.719 10.790 -1.503 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.815 10.019 -1.154 1.00 0.00 H new ATOM 0 HG LEU B 25 0.385 12.908 -0.341 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.477 12.110 1.842 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.572 11.650 0.517 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.481 10.439 1.230 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.985 12.252 1.437 1.00 0.00 H new ATOM 0 HD22 LEU B 25 1.980 10.581 0.825 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.643 11.894 -0.177 1.00 0.00 H new ATOM 414 N VAL B 26 1.278 11.154 -4.801 1.00 0.00 N ATOM 415 CA VAL B 26 1.569 10.307 -5.974 1.00 0.00 C ATOM 416 C VAL B 26 2.183 11.203 -7.063 1.00 0.00 C ATOM 417 O VAL B 26 2.482 12.350 -6.809 1.00 0.00 O ATOM 418 CB VAL B 26 0.163 9.763 -6.329 1.00 0.00 C ATOM 419 CG1 VAL B 26 -0.143 9.874 -7.825 1.00 0.00 C ATOM 420 CG2 VAL B 26 0.073 8.298 -5.900 1.00 0.00 C ATOM 0 H VAL B 26 1.019 12.114 -5.030 1.00 0.00 H new ATOM 0 HA VAL B 26 2.281 9.494 -5.830 1.00 0.00 H new ATOM 0 HB VAL B 26 -0.573 10.368 -5.799 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -1.140 9.480 -8.023 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -0.100 10.920 -8.129 1.00 0.00 H new ATOM 0 HG13 VAL B 26 0.592 9.302 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -0.914 7.907 -6.146 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.834 7.718 -6.423 1.00 0.00 H new ATOM 0 HG23 VAL B 26 0.235 8.223 -4.825 1.00 0.00 H new ATOM 430 N GLY B 27 2.388 10.694 -8.255 1.00 0.00 N ATOM 431 CA GLY B 27 2.989 11.520 -9.358 1.00 0.00 C ATOM 432 C GLY B 27 2.666 13.012 -9.178 1.00 0.00 C ATOM 433 O GLY B 27 3.517 13.862 -9.352 1.00 0.00 O ATOM 0 H GLY B 27 2.164 9.734 -8.516 1.00 0.00 H new ATOM 0 HA2 GLY B 27 4.070 11.379 -9.373 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.609 11.177 -10.320 1.00 0.00 H new ATOM 437 N VAL B 28 1.448 13.338 -8.826 1.00 0.00 N ATOM 438 CA VAL B 28 1.086 14.777 -8.630 1.00 0.00 C ATOM 439 C VAL B 28 1.857 15.360 -7.443 1.00 0.00 C ATOM 440 O VAL B 28 2.115 14.691 -6.464 1.00 0.00 O ATOM 441 CB VAL B 28 -0.418 14.793 -8.353 1.00 0.00 C ATOM 442 CG1 VAL B 28 -0.884 16.240 -8.147 1.00 0.00 C ATOM 443 CG2 VAL B 28 -1.162 14.185 -9.545 1.00 0.00 C ATOM 0 H VAL B 28 0.691 12.674 -8.666 1.00 0.00 H new ATOM 0 HA VAL B 28 1.337 15.380 -9.503 1.00 0.00 H new ATOM 0 HB VAL B 28 -0.629 14.211 -7.456 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -1.956 16.252 -7.950 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -0.354 16.676 -7.300 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -0.674 16.821 -9.045 1.00 0.00 H new ATOM 0 HG21 VAL B 28 -2.234 14.196 -9.349 1.00 0.00 H new ATOM 0 HG22 VAL B 28 -0.951 14.768 -10.441 1.00 0.00 H new ATOM 0 HG23 VAL B 28 -0.831 13.157 -9.695 1.00 0.00 H new ATOM 453 N SER B 29 2.222 16.610 -7.530 1.00 0.00 N ATOM 454 CA SER B 29 2.977 17.260 -6.418 1.00 0.00 C ATOM 455 C SER B 29 4.228 16.451 -6.073 1.00 0.00 C ATOM 456 O SER B 29 4.525 16.203 -4.921 1.00 0.00 O ATOM 457 CB SER B 29 2.016 17.289 -5.231 1.00 0.00 C ATOM 458 OG SER B 29 1.877 18.628 -4.771 1.00 0.00 O ATOM 0 H SER B 29 2.029 17.214 -8.329 1.00 0.00 H new ATOM 0 HA SER B 29 3.312 18.261 -6.691 1.00 0.00 H new ATOM 0 HB2 SER B 29 1.045 16.891 -5.525 1.00 0.00 H new ATOM 0 HB3 SER B 29 2.392 16.654 -4.429 1.00 0.00 H new ATOM 0 HG SER B 29 1.260 18.650 -4.010 1.00 0.00 H new ATOM 464 N ALA B 30 4.963 16.049 -7.067 1.00 0.00 N ATOM 465 CA ALA B 30 6.205 15.264 -6.813 1.00 0.00 C ATOM 466 C ALA B 30 7.290 15.709 -7.786 1.00 0.00 C ATOM 467 O ALA B 30 7.987 14.906 -8.376 1.00 0.00 O ATOM 468 CB ALA B 30 5.821 13.804 -7.052 1.00 0.00 C ATOM 0 H ALA B 30 4.759 16.229 -8.050 1.00 0.00 H new ATOM 0 HA ALA B 30 6.594 15.407 -5.805 1.00 0.00 H new ATOM 0 HB1 ALA B 30 6.689 13.167 -6.883 1.00 0.00 H new ATOM 0 HB2 ALA B 30 5.024 13.520 -6.365 1.00 0.00 H new ATOM 0 HB3 ALA B 30 5.476 13.682 -8.079 1.00 0.00 H new ATOM 474 N LYS B 31 7.427 16.991 -7.956 1.00 0.00 N ATOM 475 CA LYS B 31 8.459 17.521 -8.894 1.00 0.00 C ATOM 476 C LYS B 31 9.234 18.672 -8.241 1.00 0.00 C ATOM 477 O LYS B 31 8.890 19.824 -8.417 1.00 0.00 O ATOM 478 CB LYS B 31 7.672 18.023 -10.105 1.00 0.00 C ATOM 479 CG LYS B 31 7.104 16.833 -10.880 1.00 0.00 C ATOM 480 CD LYS B 31 8.102 16.401 -11.956 1.00 0.00 C ATOM 481 CE LYS B 31 8.015 17.356 -13.148 1.00 0.00 C ATOM 482 NZ LYS B 31 9.197 17.029 -13.993 1.00 0.00 N ATOM 0 H LYS B 31 6.867 17.701 -7.484 1.00 0.00 H new ATOM 0 HA LYS B 31 9.193 16.763 -9.169 1.00 0.00 H new ATOM 0 HB2 LYS B 31 6.863 18.677 -9.779 1.00 0.00 H new ATOM 0 HB3 LYS B 31 8.320 18.615 -10.752 1.00 0.00 H new ATOM 0 HG2 LYS B 31 6.905 16.005 -10.200 1.00 0.00 H new ATOM 0 HG3 LYS B 31 6.153 17.105 -11.339 1.00 0.00 H new ATOM 0 HD2 LYS B 31 9.113 16.401 -11.550 1.00 0.00 H new ATOM 0 HD3 LYS B 31 7.888 15.382 -12.277 1.00 0.00 H new ATOM 0 HE2 LYS B 31 7.085 17.215 -13.699 1.00 0.00 H new ATOM 0 HE3 LYS B 31 8.038 18.396 -12.823 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 9.205 17.644 -14.831 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 10.068 17.179 -13.445 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 9.144 16.035 -14.294 1.00 0.00 H new ATOM 496 N PRO B 32 10.262 18.322 -7.508 1.00 0.00 N ATOM 497 CA PRO B 32 11.092 19.346 -6.827 1.00 0.00 C ATOM 498 C PRO B 32 11.969 20.082 -7.844 1.00 0.00 C ATOM 499 O PRO B 32 12.637 19.472 -8.655 1.00 0.00 O ATOM 500 CB PRO B 32 11.949 18.532 -5.863 1.00 0.00 C ATOM 501 CG PRO B 32 12.015 17.163 -6.463 1.00 0.00 C ATOM 502 CD PRO B 32 10.743 16.959 -7.244 1.00 0.00 C ATOM 0 HA PRO B 32 10.501 20.110 -6.322 1.00 0.00 H new ATOM 0 HB2 PRO B 32 12.944 18.965 -5.758 1.00 0.00 H new ATOM 0 HB3 PRO B 32 11.506 18.505 -4.867 1.00 0.00 H new ATOM 0 HG2 PRO B 32 12.885 17.069 -7.113 1.00 0.00 H new ATOM 0 HG3 PRO B 32 12.115 16.406 -5.685 1.00 0.00 H new ATOM 0 HD2 PRO B 32 10.927 16.415 -8.170 1.00 0.00 H new ATOM 0 HD3 PRO B 32 10.014 16.382 -6.675 1.00 0.00 H new ATOM 510 N VAL B 33 11.971 21.388 -7.807 1.00 0.00 N ATOM 511 CA VAL B 33 12.805 22.162 -8.774 1.00 0.00 C ATOM 512 C VAL B 33 14.241 22.280 -8.255 1.00 0.00 C ATOM 513 O VAL B 33 14.482 22.266 -7.063 1.00 0.00 O ATOM 514 CB VAL B 33 12.154 23.545 -8.854 1.00 0.00 C ATOM 515 CG1 VAL B 33 12.878 24.388 -9.905 1.00 0.00 C ATOM 516 CG2 VAL B 33 10.681 23.400 -9.250 1.00 0.00 C ATOM 0 H VAL B 33 11.432 21.952 -7.150 1.00 0.00 H new ATOM 0 HA VAL B 33 12.853 21.679 -9.750 1.00 0.00 H new ATOM 0 HB VAL B 33 12.222 24.032 -7.881 1.00 0.00 H new ATOM 0 HG11 VAL B 33 12.415 25.373 -9.963 1.00 0.00 H new ATOM 0 HG12 VAL B 33 13.926 24.495 -9.626 1.00 0.00 H new ATOM 0 HG13 VAL B 33 12.809 23.897 -10.876 1.00 0.00 H new ATOM 0 HG21 VAL B 33 10.221 24.386 -9.306 1.00 0.00 H new ATOM 0 HG22 VAL B 33 10.612 22.912 -10.222 1.00 0.00 H new ATOM 0 HG23 VAL B 33 10.161 22.799 -8.504 1.00 0.00 H new ATOM 526 N ASN B 34 15.192 22.398 -9.140 1.00 0.00 N ATOM 527 CA ASN B 34 16.614 22.523 -8.699 1.00 0.00 C ATOM 528 C ASN B 34 16.831 23.876 -8.016 1.00 0.00 C ATOM 529 O ASN B 34 16.479 24.911 -8.549 1.00 0.00 O ATOM 530 CB ASN B 34 17.440 22.431 -9.983 1.00 0.00 C ATOM 531 CG ASN B 34 18.929 22.468 -9.638 1.00 0.00 C ATOM 532 OD1 ASN B 34 19.347 21.919 -8.639 1.00 0.00 O ATOM 533 ND2 ASN B 34 19.755 23.098 -10.428 1.00 0.00 N ATOM 0 H ASN B 34 15.048 22.413 -10.150 1.00 0.00 H new ATOM 0 HA ASN B 34 16.895 21.752 -7.982 1.00 0.00 H new ATOM 0 HB2 ASN B 34 17.202 21.510 -10.515 1.00 0.00 H new ATOM 0 HB3 ASN B 34 17.190 23.257 -10.648 1.00 0.00 H new ATOM 0 HD21 ASN B 34 20.750 23.129 -10.206 1.00 0.00 H new ATOM 0 HD22 ASN B 34 19.406 23.560 -11.268 1.00 0.00 H new ATOM 540 N ARG B 35 17.402 23.876 -6.841 1.00 0.00 N ATOM 541 CA ARG B 35 17.637 25.165 -6.123 1.00 0.00 C ATOM 542 C ARG B 35 18.521 26.092 -6.969 1.00 0.00 C ATOM 543 O ARG B 35 19.687 25.816 -7.169 1.00 0.00 O ATOM 544 CB ARG B 35 18.354 24.774 -4.828 1.00 0.00 C ATOM 545 CG ARG B 35 17.427 23.910 -3.967 1.00 0.00 C ATOM 546 CD ARG B 35 16.144 24.687 -3.656 1.00 0.00 C ATOM 547 NE ARG B 35 15.526 23.971 -2.501 1.00 0.00 N ATOM 548 CZ ARG B 35 14.919 22.820 -2.671 1.00 0.00 C ATOM 549 NH1 ARG B 35 14.842 22.272 -3.857 1.00 0.00 N ATOM 550 NH2 ARG B 35 14.387 22.215 -1.644 1.00 0.00 N ATOM 0 H ARG B 35 17.716 23.041 -6.347 1.00 0.00 H new ATOM 0 HA ARG B 35 16.709 25.703 -5.929 1.00 0.00 H new ATOM 0 HB2 ARG B 35 19.268 24.227 -5.058 1.00 0.00 H new ATOM 0 HB3 ARG B 35 18.648 25.669 -4.279 1.00 0.00 H new ATOM 0 HG2 ARG B 35 17.186 22.984 -4.490 1.00 0.00 H new ATOM 0 HG3 ARG B 35 17.929 23.631 -3.041 1.00 0.00 H new ATOM 0 HD2 ARG B 35 16.363 25.725 -3.405 1.00 0.00 H new ATOM 0 HD3 ARG B 35 15.474 24.701 -4.515 1.00 0.00 H new ATOM 0 HE ARG B 35 15.576 24.381 -1.569 1.00 0.00 H new ATOM 0 HH11 ARG B 35 15.257 22.740 -4.663 1.00 0.00 H new ATOM 0 HH12 ARG B 35 14.367 21.377 -3.975 1.00 0.00 H new ATOM 0 HH21 ARG B 35 14.445 22.637 -0.717 1.00 0.00 H new ATOM 0 HH22 ARG B 35 13.914 21.320 -1.768 1.00 0.00 H new ATOM 564 N PRO B 36 17.937 27.167 -7.444 1.00 0.00 N ATOM 565 CA PRO B 36 18.695 28.131 -8.276 1.00 0.00 C ATOM 566 C PRO B 36 19.617 28.983 -7.399 1.00 0.00 C ATOM 567 O PRO B 36 19.142 29.967 -6.855 1.00 0.00 O ATOM 568 CB PRO B 36 17.608 28.988 -8.915 1.00 0.00 C ATOM 569 CG PRO B 36 16.437 28.897 -7.987 1.00 0.00 C ATOM 570 CD PRO B 36 16.539 27.581 -7.255 1.00 0.00 C ATOM 571 OXT PRO B 36 20.782 28.639 -7.287 1.00 0.00 O ATOM 0 HA PRO B 36 19.337 27.648 -9.013 1.00 0.00 H new ATOM 0 HB2 PRO B 36 17.938 30.020 -9.031 1.00 0.00 H new ATOM 0 HB3 PRO B 36 17.352 28.621 -9.909 1.00 0.00 H new ATOM 0 HG2 PRO B 36 16.441 29.729 -7.283 1.00 0.00 H new ATOM 0 HG3 PRO B 36 15.502 28.955 -8.543 1.00 0.00 H new ATOM 0 HD2 PRO B 36 16.297 27.694 -6.198 1.00 0.00 H new ATOM 0 HD3 PRO B 36 15.847 26.844 -7.663 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 11.930 -18.776 -0.865 1.00 1.31 P ATOM 581 OP1 G A 1 13.311 -18.539 -1.356 1.00 1.51 O ATOM 582 OP2 G A 1 11.675 -19.868 0.109 1.00 1.52 O ATOM 583 O5' G A 1 11.385 -17.415 -0.242 1.00 1.09 O ATOM 584 C5' G A 1 11.606 -17.096 1.145 1.00 1.03 C ATOM 585 C4' G A 1 10.593 -17.809 2.010 1.00 0.94 C ATOM 586 O4' G A 1 11.058 -17.778 3.383 1.00 1.02 O ATOM 587 C3' G A 1 9.233 -17.138 2.083 1.00 0.80 C ATOM 588 O3' G A 1 8.431 -17.497 0.950 1.00 0.75 O ATOM 589 C2' G A 1 8.676 -17.661 3.408 1.00 0.78 C ATOM 590 O2' G A 1 8.064 -18.931 3.324 1.00 0.77 O ATOM 591 C1' G A 1 9.943 -17.768 4.256 1.00 0.90 C ATOM 592 N9 G A 1 10.064 -16.631 5.155 1.00 0.90 N ATOM 593 C8 G A 1 10.839 -15.509 4.993 1.00 0.97 C ATOM 594 N7 G A 1 10.699 -14.648 5.964 1.00 0.99 N ATOM 595 C5 G A 1 9.778 -15.243 6.817 1.00 0.90 C ATOM 596 C6 G A 1 9.231 -14.786 8.039 1.00 0.88 C ATOM 597 O6 G A 1 9.458 -13.730 8.631 1.00 0.94 O ATOM 598 N1 G A 1 8.331 -15.704 8.577 1.00 0.82 N ATOM 599 C2 G A 1 8.004 -16.909 8.002 1.00 0.81 C ATOM 600 N2 G A 1 7.116 -17.666 8.664 1.00 0.83 N ATOM 601 N3 G A 1 8.508 -17.344 6.863 1.00 0.83 N ATOM 602 C4 G A 1 9.382 -16.467 6.331 1.00 0.86 C ATOM 0 H5' G A 1 11.530 -16.019 1.295 1.00 1.03 H new ATOM 0 H5'' G A 1 12.615 -17.388 1.437 1.00 1.03 H new ATOM 0 H4' G A 1 10.492 -18.798 1.563 1.00 0.94 H new ATOM 0 H3' G A 1 9.262 -16.049 2.054 1.00 0.80 H new ATOM 0 H2' G A 1 7.889 -17.012 3.792 1.00 0.78 H new ATOM 0 HO2' G A 1 8.674 -19.559 2.884 1.00 0.77 H new ATOM 0 H1' G A 1 9.898 -18.679 4.853 1.00 0.90 H new ATOM 0 H8 G A 1 11.496 -15.355 4.150 1.00 0.97 H new ATOM 0 H1 G A 1 7.883 -15.464 9.461 1.00 0.82 H new ATOM 0 H21 G A 1 6.835 -18.571 8.286 1.00 0.83 H new ATOM 0 H22 G A 1 6.722 -17.337 9.545 1.00 0.83 H new ATOM 614 P C A 2 7.685 -18.922 0.898 1.00 0.69 P ATOM 615 OP1 C A 2 8.565 -19.943 1.524 1.00 0.84 O ATOM 616 OP2 C A 2 7.216 -19.119 -0.497 1.00 0.82 O ATOM 617 O5' C A 2 6.401 -18.702 1.814 1.00 0.58 O ATOM 618 C5' C A 2 5.850 -17.384 1.995 1.00 0.57 C ATOM 619 C4' C A 2 4.829 -17.385 3.109 1.00 0.55 C ATOM 620 O4' C A 2 5.505 -17.093 4.357 1.00 0.54 O ATOM 621 C3' C A 2 3.785 -16.286 2.989 1.00 0.51 C ATOM 622 O3' C A 2 2.689 -16.735 2.195 1.00 0.59 O ATOM 623 C2' C A 2 3.352 -16.069 4.435 1.00 0.53 C ATOM 624 O2' C A 2 2.311 -16.942 4.831 1.00 0.67 O ATOM 625 C1' C A 2 4.630 -16.384 5.217 1.00 0.51 C ATOM 626 N1 C A 2 5.332 -15.186 5.700 1.00 0.45 N ATOM 627 C2 C A 2 4.975 -14.666 6.943 1.00 0.44 C ATOM 628 O2 C A 2 4.075 -15.225 7.588 1.00 0.49 O ATOM 629 N3 C A 2 5.614 -13.572 7.413 1.00 0.43 N ATOM 630 C4 C A 2 6.577 -13.000 6.686 1.00 0.45 C ATOM 631 N4 C A 2 7.183 -11.924 7.191 1.00 0.49 N ATOM 632 C5 C A 2 6.961 -13.510 5.412 1.00 0.47 C ATOM 633 C6 C A 2 6.317 -14.595 4.959 1.00 0.46 C ATOM 0 H5' C A 2 5.385 -17.047 1.068 1.00 0.57 H new ATOM 0 H5'' C A 2 6.648 -16.678 2.226 1.00 0.57 H new ATOM 0 H4' C A 2 4.348 -18.362 3.061 1.00 0.55 H new ATOM 0 H3' C A 2 4.156 -15.379 2.512 1.00 0.51 H new ATOM 0 H2' C A 2 2.954 -15.067 4.599 1.00 0.53 H new ATOM 0 HO2' C A 2 1.831 -17.259 4.038 1.00 0.67 H new ATOM 0 H1' C A 2 4.341 -16.962 6.094 1.00 0.51 H new ATOM 0 H41 C A 2 7.923 -11.461 6.664 1.00 0.49 H new ATOM 0 H42 C A 2 6.906 -11.564 8.104 1.00 0.49 H new ATOM 0 H5 C A 2 7.742 -13.040 4.833 1.00 0.47 H new ATOM 0 H6 C A 2 6.580 -15.008 3.996 1.00 0.46 H new ATOM 645 P C A 3 2.035 -15.750 1.106 1.00 0.67 P ATOM 646 OP1 C A 3 1.255 -16.590 0.162 1.00 1.00 O ATOM 647 OP2 C A 3 3.099 -14.855 0.585 1.00 1.20 O ATOM 648 O5' C A 3 1.008 -14.869 1.948 1.00 0.89 O ATOM 649 C5' C A 3 1.464 -13.733 2.701 1.00 0.68 C ATOM 650 C4' C A 3 0.678 -13.601 3.985 1.00 0.61 C ATOM 651 O4' C A 3 1.634 -13.589 5.074 1.00 0.67 O ATOM 652 C3' C A 3 -0.071 -12.289 4.119 1.00 0.56 C ATOM 653 O3' C A 3 -1.380 -12.378 3.537 1.00 0.57 O ATOM 654 C2' C A 3 -0.093 -12.040 5.626 1.00 0.57 C ATOM 655 O2' C A 3 -1.164 -12.669 6.299 1.00 0.64 O ATOM 656 C1' C A 3 1.221 -12.679 6.078 1.00 0.62 C ATOM 657 N1 C A 3 2.290 -11.682 6.216 1.00 0.61 N ATOM 658 C2 C A 3 2.385 -10.936 7.391 1.00 0.56 C ATOM 659 O2 C A 3 1.571 -11.144 8.301 1.00 0.55 O ATOM 660 N3 C A 3 3.366 -10.008 7.503 1.00 0.58 N ATOM 661 C4 C A 3 4.221 -9.818 6.495 1.00 0.65 C ATOM 662 N4 C A 3 5.171 -8.896 6.639 1.00 0.71 N ATOM 663 C5 C A 3 4.143 -10.567 5.290 1.00 0.71 C ATOM 664 C6 C A 3 3.173 -11.479 5.193 1.00 0.68 C ATOM 0 H5' C A 3 1.355 -12.827 2.106 1.00 0.68 H new ATOM 0 H5'' C A 3 2.525 -13.840 2.926 1.00 0.68 H new ATOM 0 H4' C A 3 -0.039 -14.422 3.995 1.00 0.61 H new ATOM 0 H3' C A 3 0.397 -11.462 3.586 1.00 0.56 H new ATOM 0 H2' C A 3 -0.212 -10.979 5.848 1.00 0.57 H new ATOM 0 HO2' C A 3 -1.209 -13.611 6.034 1.00 0.64 H new ATOM 0 H1' C A 3 1.051 -13.160 7.041 1.00 0.62 H new ATOM 0 H41 C A 3 5.838 -8.729 5.886 1.00 0.71 H new ATOM 0 H42 C A 3 5.231 -8.357 7.503 1.00 0.71 H new ATOM 0 H5 C A 3 4.842 -10.405 4.483 1.00 0.71 H new ATOM 0 H6 C A 3 3.085 -12.066 4.291 1.00 0.68 H new ATOM 676 P C A 4 -2.586 -13.067 4.346 1.00 0.57 P ATOM 677 OP1 C A 4 -2.023 -14.209 5.112 1.00 0.60 O ATOM 678 OP2 C A 4 -3.699 -13.307 3.392 1.00 0.73 O ATOM 679 O5' C A 4 -3.058 -11.938 5.368 1.00 0.61 O ATOM 680 C5' C A 4 -2.846 -10.540 5.078 1.00 0.51 C ATOM 681 C4' C A 4 -2.854 -9.732 6.354 1.00 0.47 C ATOM 682 O4' C A 4 -1.561 -9.865 6.988 1.00 0.55 O ATOM 683 C3' C A 4 -3.037 -8.236 6.160 1.00 0.45 C ATOM 684 O3' C A 4 -4.426 -7.915 6.151 1.00 0.51 O ATOM 685 C2' C A 4 -2.343 -7.646 7.382 1.00 0.47 C ATOM 686 O2' C A 4 -3.193 -7.558 8.509 1.00 0.57 O ATOM 687 C1' C A 4 -1.227 -8.657 7.645 1.00 0.48 C ATOM 688 N1 C A 4 0.080 -8.216 7.137 1.00 0.43 N ATOM 689 C2 C A 4 0.772 -7.216 7.821 1.00 0.39 C ATOM 690 O2 C A 4 0.261 -6.711 8.833 1.00 0.43 O ATOM 691 N3 C A 4 1.981 -6.824 7.361 1.00 0.38 N ATOM 692 C4 C A 4 2.492 -7.393 6.267 1.00 0.45 C ATOM 693 N4 C A 4 3.680 -6.985 5.846 1.00 0.51 N ATOM 694 C5 C A 4 1.805 -8.408 5.555 1.00 0.51 C ATOM 695 C6 C A 4 0.615 -8.786 6.017 1.00 0.48 C ATOM 0 H5' C A 4 -3.625 -10.179 4.406 1.00 0.51 H new ATOM 0 H5'' C A 4 -1.895 -10.409 4.563 1.00 0.51 H new ATOM 0 H4' C A 4 -3.695 -10.118 6.930 1.00 0.47 H new ATOM 0 H3' C A 4 -2.632 -7.858 5.222 1.00 0.45 H new ATOM 0 H2' C A 4 -2.005 -6.624 7.209 1.00 0.47 H new ATOM 0 HO2' C A 4 -4.059 -7.966 8.299 1.00 0.57 H new ATOM 0 H1' C A 4 -1.142 -8.776 8.725 1.00 0.48 H new ATOM 0 H41 C A 4 4.096 -7.401 5.013 1.00 0.51 H new ATOM 0 H42 C A 4 4.178 -6.255 6.355 1.00 0.51 H new ATOM 0 H5 C A 4 2.231 -8.858 4.671 1.00 0.51 H new ATOM 0 H6 C A 4 0.064 -9.556 5.498 1.00 0.48 H new ATOM 707 P U A 5 -4.935 -6.580 5.418 1.00 0.57 P ATOM 708 OP1 U A 5 -6.411 -6.506 5.561 1.00 0.77 O ATOM 709 OP2 U A 5 -4.334 -6.560 4.070 1.00 0.62 O ATOM 710 O5' U A 5 -4.296 -5.402 6.276 1.00 0.49 O ATOM 711 C5' U A 5 -4.791 -5.118 7.590 1.00 0.45 C ATOM 712 C4' U A 5 -3.999 -4.004 8.231 1.00 0.41 C ATOM 713 O4' U A 5 -2.657 -4.469 8.511 1.00 0.47 O ATOM 714 C3' U A 5 -3.767 -2.782 7.362 1.00 0.35 C ATOM 715 O3' U A 5 -4.878 -1.887 7.402 1.00 0.36 O ATOM 716 C2' U A 5 -2.549 -2.142 8.011 1.00 0.41 C ATOM 717 O2' U A 5 -2.885 -1.265 9.071 1.00 0.50 O ATOM 718 C1' U A 5 -1.791 -3.351 8.552 1.00 0.43 C ATOM 719 N1 U A 5 -0.584 -3.626 7.763 1.00 0.43 N ATOM 720 C2 U A 5 0.481 -2.783 7.979 1.00 0.40 C ATOM 721 O2 U A 5 0.438 -1.867 8.786 1.00 0.39 O ATOM 722 N3 U A 5 1.593 -3.045 7.225 1.00 0.43 N ATOM 723 C4 U A 5 1.745 -4.040 6.291 1.00 0.50 C ATOM 724 O4 U A 5 2.817 -4.141 5.689 1.00 0.54 O ATOM 725 C5 U A 5 0.596 -4.878 6.120 1.00 0.55 C ATOM 726 C6 U A 5 -0.510 -4.651 6.847 1.00 0.51 C ATOM 0 H5' U A 5 -4.732 -6.014 8.207 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.843 -4.838 7.535 1.00 0.45 H new ATOM 0 H4' U A 5 -4.599 -3.730 9.099 1.00 0.41 H new ATOM 0 H3' U A 5 -3.633 -3.030 6.309 1.00 0.35 H new ATOM 0 H2' U A 5 -1.987 -1.526 7.309 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.837 -1.037 9.018 1.00 0.50 H new ATOM 0 H1' U A 5 -1.473 -3.145 9.574 1.00 0.43 H new ATOM 0 H3 U A 5 2.397 -2.434 7.373 1.00 0.43 H new ATOM 0 H5 U A 5 0.619 -5.690 5.408 1.00 0.55 H new ATOM 0 H6 U A 5 -1.368 -5.292 6.709 1.00 0.51 H new ATOM 737 P G A 6 -5.127 -0.871 6.179 1.00 0.43 P ATOM 738 OP1 G A 6 -6.592 -0.696 6.013 1.00 0.65 O ATOM 739 OP2 G A 6 -4.312 -1.351 5.035 1.00 0.54 O ATOM 740 O5' G A 6 -4.517 0.518 6.676 1.00 0.43 O ATOM 741 C5' G A 6 -3.145 0.618 7.111 1.00 0.47 C ATOM 742 C4' G A 6 -2.347 1.472 6.154 1.00 0.47 C ATOM 743 O4' G A 6 -0.959 1.054 6.207 1.00 0.53 O ATOM 744 C3' G A 6 -2.718 1.290 4.695 1.00 0.39 C ATOM 745 O3' G A 6 -3.803 2.147 4.350 1.00 0.41 O ATOM 746 C2' G A 6 -1.443 1.701 3.965 1.00 0.48 C ATOM 747 O2' G A 6 -1.372 3.092 3.717 1.00 0.59 O ATOM 748 C1' G A 6 -0.347 1.282 4.949 1.00 0.49 C ATOM 749 N9 G A 6 0.325 0.054 4.534 1.00 0.50 N ATOM 750 C8 G A 6 -0.201 -1.213 4.552 1.00 0.60 C ATOM 751 N7 G A 6 0.630 -2.119 4.112 1.00 0.63 N ATOM 752 C5 G A 6 1.775 -1.406 3.783 1.00 0.54 C ATOM 753 C6 G A 6 3.013 -1.853 3.250 1.00 0.55 C ATOM 754 O6 G A 6 3.354 -3.005 2.957 1.00 0.61 O ATOM 755 N1 G A 6 3.906 -0.798 3.061 1.00 0.55 N ATOM 756 C2 G A 6 3.634 0.517 3.351 1.00 0.57 C ATOM 757 N2 G A 6 4.622 1.399 3.101 1.00 0.70 N ATOM 758 N3 G A 6 2.482 0.945 3.849 1.00 0.53 N ATOM 759 C4 G A 6 1.606 -0.063 4.037 1.00 0.49 C ATOM 0 H5' G A 6 -2.704 -0.377 7.174 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.105 1.048 8.112 1.00 0.47 H new ATOM 0 H4' G A 6 -2.541 2.499 6.462 1.00 0.47 H new ATOM 0 H3' G A 6 -3.043 0.279 4.449 1.00 0.39 H new ATOM 0 H2' G A 6 -1.370 1.242 2.979 1.00 0.48 H new ATOM 0 HO2' G A 6 -1.479 3.259 2.757 1.00 0.59 H new ATOM 0 H1' G A 6 0.400 2.074 4.992 1.00 0.49 H new ATOM 0 H8 G A 6 -1.200 -1.438 4.895 1.00 0.60 H new ATOM 0 H1 G A 6 4.826 -1.019 2.680 1.00 0.55 H new ATOM 0 H21 G A 6 4.482 2.390 3.295 1.00 0.70 H new ATOM 0 H22 G A 6 5.510 1.075 2.718 1.00 0.70 H new ATOM 771 P A A 7 -4.563 1.942 2.949 1.00 0.43 P ATOM 772 OP1 A A 7 -5.084 3.268 2.528 1.00 0.74 O ATOM 773 OP2 A A 7 -5.498 0.797 3.089 1.00 0.66 O ATOM 774 O5' A A 7 -3.403 1.522 1.944 1.00 0.33 O ATOM 775 C5' A A 7 -3.675 1.315 0.547 1.00 0.29 C ATOM 776 C4' A A 7 -2.623 1.993 -0.295 1.00 0.23 C ATOM 777 O4' A A 7 -2.734 3.423 -0.124 1.00 0.23 O ATOM 778 C3' A A 7 -1.191 1.707 0.116 1.00 0.25 C ATOM 779 O3' A A 7 -0.743 0.481 -0.453 1.00 0.27 O ATOM 780 C2' A A 7 -0.434 2.900 -0.465 1.00 0.24 C ATOM 781 O2' A A 7 -0.048 2.709 -1.811 1.00 0.25 O ATOM 782 C1' A A 7 -1.474 4.016 -0.377 1.00 0.21 C ATOM 783 N9 A A 7 -1.189 4.970 0.694 1.00 0.24 N ATOM 784 C8 A A 7 -1.862 5.135 1.879 1.00 0.29 C ATOM 785 N7 A A 7 -1.360 6.073 2.645 1.00 0.33 N ATOM 786 C5 A A 7 -0.284 6.560 1.915 1.00 0.30 C ATOM 787 C6 A A 7 0.659 7.568 2.178 1.00 0.34 C ATOM 788 N6 A A 7 0.671 8.297 3.296 1.00 0.39 N ATOM 789 N1 A A 7 1.603 7.805 1.242 1.00 0.35 N ATOM 790 C2 A A 7 1.589 7.072 0.120 1.00 0.32 C ATOM 791 N3 A A 7 0.757 6.099 -0.241 1.00 0.27 N ATOM 792 C4 A A 7 -0.168 5.889 0.711 1.00 0.25 C ATOM 0 H5' A A 7 -4.660 1.710 0.299 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.695 0.248 0.327 1.00 0.29 H new ATOM 0 H4' A A 7 -2.803 1.619 -1.303 1.00 0.23 H new ATOM 0 H3' A A 7 -1.054 1.596 1.192 1.00 0.25 H new ATOM 0 H2' A A 7 0.498 3.092 0.066 1.00 0.24 H new ATOM 0 HO2' A A 7 0.430 3.503 -2.130 1.00 0.25 H new ATOM 0 H1' A A 7 -1.458 4.564 -1.319 1.00 0.21 H new ATOM 0 H8 A A 7 -2.725 4.547 2.155 1.00 0.29 H new ATOM 0 H61 A A 7 1.383 9.015 3.429 1.00 0.39 H new ATOM 0 H62 A A 7 -0.032 8.136 4.018 1.00 0.39 H new ATOM 0 H2 A A 7 2.365 7.305 -0.594 1.00 0.32 H new ATOM 804 P A A 8 0.189 -0.501 0.411 1.00 0.37 P ATOM 805 OP1 A A 8 0.014 -1.883 -0.103 1.00 0.44 O ATOM 806 OP2 A A 8 -0.067 -0.212 1.844 1.00 0.47 O ATOM 807 O5' A A 8 1.666 -0.018 0.065 1.00 0.38 O ATOM 808 C5' A A 8 1.986 0.485 -1.244 1.00 0.39 C ATOM 809 C4' A A 8 2.986 1.610 -1.141 1.00 0.43 C ATOM 810 O4' A A 8 2.335 2.749 -0.524 1.00 0.37 O ATOM 811 C3' A A 8 4.164 1.315 -0.228 1.00 0.53 C ATOM 812 O3' A A 8 5.222 0.653 -0.929 1.00 0.66 O ATOM 813 C2' A A 8 4.597 2.704 0.231 1.00 0.50 C ATOM 814 O2' A A 8 5.471 3.337 -0.680 1.00 0.58 O ATOM 815 C1' A A 8 3.267 3.460 0.271 1.00 0.38 C ATOM 816 N9 A A 8 2.719 3.564 1.621 1.00 0.36 N ATOM 817 C8 A A 8 1.696 2.830 2.166 1.00 0.42 C ATOM 818 N7 A A 8 1.418 3.152 3.406 1.00 0.47 N ATOM 819 C5 A A 8 2.321 4.164 3.699 1.00 0.41 C ATOM 820 C6 A A 8 2.545 4.928 4.859 1.00 0.44 C ATOM 821 N6 A A 8 1.844 4.785 5.986 1.00 0.54 N ATOM 822 N1 A A 8 3.525 5.857 4.819 1.00 0.40 N ATOM 823 C2 A A 8 4.228 5.998 3.689 1.00 0.36 C ATOM 824 N3 A A 8 4.112 5.342 2.536 1.00 0.35 N ATOM 825 C4 A A 8 3.129 4.428 2.608 1.00 0.35 C ATOM 0 H5' A A 8 1.080 0.838 -1.737 1.00 0.39 H new ATOM 0 H5'' A A 8 2.392 -0.317 -1.860 1.00 0.39 H new ATOM 0 H4' A A 8 3.343 1.774 -2.158 1.00 0.43 H new ATOM 0 H3' A A 8 3.906 0.647 0.594 1.00 0.53 H new ATOM 0 H2' A A 8 5.144 2.671 1.173 1.00 0.50 H new ATOM 0 HO2' A A 8 5.153 3.189 -1.595 1.00 0.58 H new ATOM 0 H1' A A 8 3.446 4.470 -0.097 1.00 0.38 H new ATOM 0 H8 A A 8 1.169 2.059 1.624 1.00 0.42 H new ATOM 0 H61 A A 8 2.054 5.370 6.795 1.00 0.54 H new ATOM 0 H62 A A 8 1.098 4.091 6.038 1.00 0.54 H new ATOM 0 H2 A A 8 5.000 6.752 3.716 1.00 0.36 H new ATOM 837 P A A 9 5.208 0.585 -2.538 1.00 1.47 P ATOM 838 OP1 A A 9 5.176 1.972 -3.063 1.00 2.35 O ATOM 839 OP2 A A 9 4.152 -0.376 -2.941 1.00 2.33 O ATOM 840 O5' A A 9 6.617 -0.056 -2.911 1.00 1.08 O ATOM 841 C5' A A 9 7.765 0.161 -2.078 1.00 1.04 C ATOM 842 C4' A A 9 8.421 1.472 -2.425 1.00 1.09 C ATOM 843 O4' A A 9 7.856 1.965 -3.664 1.00 1.26 O ATOM 844 C3' A A 9 8.127 2.585 -1.443 1.00 0.99 C ATOM 845 O3' A A 9 8.995 2.531 -0.322 1.00 1.17 O ATOM 846 C2' A A 9 8.364 3.834 -2.279 1.00 1.26 C ATOM 847 O2' A A 9 9.733 4.189 -2.351 1.00 1.57 O ATOM 848 C1' A A 9 7.869 3.383 -3.657 1.00 1.29 C ATOM 849 N9 A A 9 6.507 3.840 -3.926 1.00 0.00 N ATOM 850 C8 A A 9 5.707 4.604 -3.114 1.00 0.00 C ATOM 851 N7 A A 9 4.526 4.859 -3.621 1.00 0.00 N ATOM 852 C5 A A 9 4.546 4.215 -4.849 1.00 0.00 C ATOM 853 C6 A A 9 3.589 4.096 -5.870 1.00 0.00 C ATOM 854 N6 A A 9 2.376 4.651 -5.816 1.00 0.00 N ATOM 855 N1 A A 9 3.923 3.379 -6.963 1.00 0.00 N ATOM 856 C2 A A 9 5.139 2.820 -7.015 1.00 0.00 C ATOM 857 N3 A A 9 6.124 2.862 -6.123 1.00 0.00 N ATOM 858 C4 A A 9 5.760 3.583 -5.050 1.00 0.00 C ATOM 0 H5' A A 9 8.476 -0.655 -2.207 1.00 1.04 H new ATOM 0 H5'' A A 9 7.467 0.162 -1.029 1.00 1.04 H new ATOM 0 H4' A A 9 9.489 1.257 -2.450 1.00 1.09 H new ATOM 0 H3' A A 9 7.125 2.536 -1.017 1.00 0.99 H new ATOM 0 H2' A A 9 7.867 4.714 -1.871 1.00 1.26 H new ATOM 0 HO2' A A 9 10.224 3.746 -1.628 1.00 1.57 H new ATOM 0 H1' A A 9 8.529 3.803 -4.416 1.00 1.29 H new ATOM 0 H8 A A 9 6.022 4.962 -2.145 1.00 0.00 H new ATOM 0 H61 A A 9 1.724 4.528 -6.591 1.00 0.00 H new ATOM 0 H62 A A 9 2.101 5.198 -5.000 1.00 0.00 H new ATOM 0 H2 A A 9 5.350 2.254 -7.910 1.00 0.00 H new ATOM 870 P A A 10 8.415 2.853 1.141 1.00 1.33 P ATOM 871 OP1 A A 10 7.196 2.013 1.352 1.00 2.10 O ATOM 872 OP2 A A 10 8.323 4.327 1.288 1.00 2.11 O ATOM 873 O5' A A 10 9.550 2.328 2.125 1.00 0.79 O ATOM 874 C5' A A 10 9.264 2.120 3.512 1.00 0.59 C ATOM 875 C4' A A 10 9.294 3.434 4.251 1.00 0.54 C ATOM 876 O4' A A 10 8.004 4.066 4.100 1.00 0.50 O ATOM 877 C3' A A 10 9.492 3.301 5.748 1.00 0.50 C ATOM 878 O3' A A 10 10.883 3.295 6.062 1.00 0.61 O ATOM 879 C2' A A 10 8.777 4.523 6.310 1.00 0.50 C ATOM 880 O2' A A 10 9.606 5.668 6.353 1.00 0.61 O ATOM 881 C1' A A 10 7.649 4.734 5.296 1.00 0.48 C ATOM 882 N9 A A 10 6.383 4.151 5.727 1.00 0.45 N ATOM 883 C8 A A 10 5.682 3.164 5.083 1.00 0.45 C ATOM 884 N7 A A 10 4.570 2.824 5.687 1.00 0.51 N ATOM 885 C5 A A 10 4.538 3.642 6.808 1.00 0.54 C ATOM 886 C6 A A 10 3.616 3.769 7.861 1.00 0.64 C ATOM 887 N6 A A 10 2.499 3.045 7.958 1.00 0.72 N ATOM 888 N1 A A 10 3.883 4.678 8.823 1.00 0.69 N ATOM 889 C2 A A 10 5.004 5.404 8.726 1.00 0.66 C ATOM 890 N3 A A 10 5.946 5.376 7.786 1.00 0.58 N ATOM 891 C4 A A 10 5.651 4.465 6.845 1.00 0.51 C ATOM 0 H5' A A 10 9.994 1.435 3.943 1.00 0.59 H new ATOM 0 H5'' A A 10 8.285 1.654 3.623 1.00 0.59 H new ATOM 0 H4' A A 10 10.131 3.992 3.831 1.00 0.54 H new ATOM 0 H3' A A 10 9.099 2.374 6.165 1.00 0.50 H new ATOM 0 H2' A A 10 8.449 4.374 7.339 1.00 0.50 H new ATOM 0 HO2' A A 10 10.544 5.396 6.268 1.00 0.61 H new ATOM 0 H1' A A 10 7.521 5.810 5.176 1.00 0.48 H new ATOM 0 H8 A A 10 6.016 2.709 4.162 1.00 0.45 H new ATOM 0 H61 A A 10 1.868 3.184 8.748 1.00 0.72 H new ATOM 0 H62 A A 10 2.276 2.353 7.242 1.00 0.72 H new ATOM 0 H2 A A 10 5.167 6.113 9.524 1.00 0.66 H new ATOM 903 P A A 11 11.399 2.559 7.395 1.00 0.62 P ATOM 904 OP1 A A 11 12.480 3.397 7.974 1.00 0.65 O ATOM 905 OP2 A A 11 11.671 1.137 7.066 1.00 0.77 O ATOM 906 O5' A A 11 10.149 2.617 8.379 1.00 0.58 O ATOM 907 C5' A A 11 10.069 3.610 9.419 1.00 0.56 C ATOM 908 C4' A A 11 8.704 3.575 10.065 1.00 0.49 C ATOM 909 O4' A A 11 7.719 3.361 9.025 1.00 0.46 O ATOM 910 C3' A A 11 8.500 2.425 11.035 1.00 0.47 C ATOM 911 O3' A A 11 8.930 2.820 12.344 1.00 0.51 O ATOM 912 C2' A A 11 6.997 2.180 10.963 1.00 0.43 C ATOM 913 O2' A A 11 6.259 3.016 11.835 1.00 0.47 O ATOM 914 C1' A A 11 6.667 2.552 9.517 1.00 0.42 C ATOM 915 N9 A A 11 6.555 1.399 8.625 1.00 0.41 N ATOM 916 C8 A A 11 7.505 0.915 7.759 1.00 0.46 C ATOM 917 N7 A A 11 7.105 -0.122 7.062 1.00 0.47 N ATOM 918 C5 A A 11 5.807 -0.338 7.501 1.00 0.42 C ATOM 919 C6 A A 11 4.831 -1.292 7.153 1.00 0.43 C ATOM 920 N6 A A 11 5.011 -2.256 6.240 1.00 0.49 N ATOM 921 N1 A A 11 3.641 -1.225 7.786 1.00 0.40 N ATOM 922 C2 A A 11 3.449 -0.267 8.700 1.00 0.37 C ATOM 923 N3 A A 11 4.281 0.682 9.111 1.00 0.37 N ATOM 924 C4 A A 11 5.457 0.590 8.467 1.00 0.39 C ATOM 0 H5' A A 11 10.258 4.600 9.003 1.00 0.56 H new ATOM 0 H5'' A A 11 10.839 3.427 10.168 1.00 0.56 H new ATOM 0 H4' A A 11 8.609 4.516 10.606 1.00 0.49 H new ATOM 0 H3' A A 11 9.069 1.525 10.801 1.00 0.47 H new ATOM 0 H2' A A 11 6.742 1.161 11.252 1.00 0.43 H new ATOM 0 HO2' A A 11 6.223 2.609 12.726 1.00 0.47 H new ATOM 0 H1' A A 11 5.701 3.056 9.530 1.00 0.42 H new ATOM 0 H8 A A 11 8.490 1.348 7.661 1.00 0.46 H new ATOM 0 H61 A A 11 4.258 -2.914 6.038 1.00 0.49 H new ATOM 0 H62 A A 11 5.901 -2.332 5.747 1.00 0.49 H new ATOM 0 H2 A A 11 2.477 -0.266 9.171 1.00 0.37 H new ATOM 936 P G A 12 8.284 2.144 13.658 1.00 0.56 P ATOM 937 OP1 G A 12 6.850 1.890 13.389 1.00 0.68 O ATOM 938 OP2 G A 12 8.663 2.984 14.823 1.00 0.65 O ATOM 939 O5' G A 12 9.048 0.751 13.815 1.00 0.50 O ATOM 940 C5' G A 12 8.570 -0.457 13.180 1.00 0.47 C ATOM 941 C4' G A 12 7.065 -0.538 13.255 1.00 0.42 C ATOM 942 O4' G A 12 6.551 -0.313 11.921 1.00 0.40 O ATOM 943 C3' G A 12 6.504 -1.890 13.652 1.00 0.39 C ATOM 944 O3' G A 12 6.394 -1.989 15.069 1.00 0.43 O ATOM 945 C2' G A 12 5.132 -1.901 12.987 1.00 0.35 C ATOM 946 O2' G A 12 4.136 -1.284 13.782 1.00 0.37 O ATOM 947 C1' G A 12 5.379 -1.074 11.722 1.00 0.35 C ATOM 948 N9 G A 12 5.596 -1.913 10.551 1.00 0.33 N ATOM 949 C8 G A 12 6.692 -1.901 9.724 1.00 0.36 C ATOM 950 N7 G A 12 6.604 -2.759 8.745 1.00 0.36 N ATOM 951 C5 G A 12 5.377 -3.377 8.941 1.00 0.33 C ATOM 952 C6 G A 12 4.737 -4.393 8.194 1.00 0.36 C ATOM 953 O6 G A 12 5.141 -4.967 7.180 1.00 0.40 O ATOM 954 N1 G A 12 3.500 -4.729 8.735 1.00 0.36 N ATOM 955 C2 G A 12 2.954 -4.158 9.858 1.00 0.34 C ATOM 956 N2 G A 12 1.750 -4.621 10.227 1.00 0.37 N ATOM 957 N3 G A 12 3.543 -3.208 10.566 1.00 0.31 N ATOM 958 C4 G A 12 4.743 -2.868 10.052 1.00 0.31 C ATOM 0 H5' G A 12 9.011 -1.328 13.665 1.00 0.47 H new ATOM 0 H5'' G A 12 8.889 -0.477 12.138 1.00 0.47 H new ATOM 0 H4' G A 12 6.774 0.190 14.012 1.00 0.42 H new ATOM 0 H3' G A 12 7.129 -2.729 13.346 1.00 0.39 H new ATOM 0 H2' G A 12 4.764 -2.912 12.811 1.00 0.35 H new ATOM 0 HO2' G A 12 4.418 -1.288 14.721 1.00 0.37 H new ATOM 0 H1' G A 12 4.500 -0.454 11.547 1.00 0.35 H new ATOM 0 H8 G A 12 7.540 -1.248 9.869 1.00 0.36 H new ATOM 0 H1 G A 12 2.959 -5.453 8.262 1.00 0.36 H new ATOM 0 H21 G A 12 1.288 -4.240 11.053 1.00 0.37 H new ATOM 0 H22 G A 12 1.297 -5.354 9.682 1.00 0.37 H new ATOM 970 P G A 13 7.198 -3.139 15.853 1.00 0.51 P ATOM 971 OP1 G A 13 7.563 -2.620 17.196 1.00 0.57 O ATOM 972 OP2 G A 13 8.263 -3.634 14.944 1.00 0.59 O ATOM 973 O5' G A 13 6.125 -4.302 16.040 1.00 0.57 O ATOM 974 C5' G A 13 4.895 -4.065 16.749 1.00 0.62 C ATOM 975 C4' G A 13 3.911 -5.170 16.465 1.00 0.60 C ATOM 976 O4' G A 13 3.389 -4.980 15.128 1.00 0.59 O ATOM 977 C3' G A 13 4.525 -6.554 16.448 1.00 0.59 C ATOM 978 O3' G A 13 4.542 -7.118 17.763 1.00 0.66 O ATOM 979 C2' G A 13 3.608 -7.322 15.504 1.00 0.57 C ATOM 980 O2' G A 13 2.479 -7.890 16.142 1.00 0.63 O ATOM 981 C1' G A 13 3.159 -6.237 14.524 1.00 0.54 C ATOM 982 N9 G A 13 3.903 -6.278 13.270 1.00 0.50 N ATOM 983 C8 G A 13 4.989 -5.513 12.922 1.00 0.54 C ATOM 984 N7 G A 13 5.444 -5.783 11.730 1.00 0.56 N ATOM 985 C5 G A 13 4.607 -6.787 11.262 1.00 0.50 C ATOM 986 C6 G A 13 4.609 -7.483 10.027 1.00 0.53 C ATOM 987 O6 G A 13 5.377 -7.346 9.067 1.00 0.60 O ATOM 988 N1 G A 13 3.584 -8.424 9.965 1.00 0.51 N ATOM 989 C2 G A 13 2.676 -8.660 10.968 1.00 0.48 C ATOM 990 N2 G A 13 1.759 -9.608 10.726 1.00 0.52 N ATOM 991 N3 G A 13 2.665 -8.019 12.125 1.00 0.47 N ATOM 992 C4 G A 13 3.651 -7.103 12.201 1.00 0.47 C ATOM 0 H5' G A 13 4.473 -3.106 16.449 1.00 0.62 H new ATOM 0 H5'' G A 13 5.089 -4.007 17.820 1.00 0.62 H new ATOM 0 H4' G A 13 3.167 -5.117 17.260 1.00 0.60 H new ATOM 0 H3' G A 13 5.565 -6.571 16.123 1.00 0.59 H new ATOM 0 H2' G A 13 4.120 -8.173 15.054 1.00 0.57 H new ATOM 0 HO2' G A 13 1.950 -7.181 16.563 1.00 0.63 H new ATOM 0 H1' G A 13 2.106 -6.402 14.297 1.00 0.54 H new ATOM 0 H8 G A 13 5.422 -4.764 13.569 1.00 0.54 H new ATOM 0 H1 G A 13 3.502 -8.978 9.113 1.00 0.51 H new ATOM 0 H21 G A 13 1.057 -9.830 11.432 1.00 0.52 H new ATOM 0 H22 G A 13 1.764 -10.107 9.836 1.00 0.52 H new ATOM 1004 P G A 14 3.164 -7.358 18.561 1.00 0.74 P ATOM 1005 OP1 G A 14 2.096 -6.531 17.946 1.00 0.90 O ATOM 1006 OP2 G A 14 3.462 -7.211 20.008 1.00 0.80 O ATOM 1007 O5' G A 14 2.831 -8.892 18.285 1.00 0.68 O ATOM 1008 C5' G A 14 3.785 -9.742 17.622 1.00 0.70 C ATOM 1009 C4' G A 14 3.074 -10.827 16.853 1.00 0.68 C ATOM 1010 O4' G A 14 2.793 -10.334 15.521 1.00 0.67 O ATOM 1011 C3' G A 14 3.910 -12.071 16.621 1.00 0.67 C ATOM 1012 O3' G A 14 3.787 -12.967 17.719 1.00 0.77 O ATOM 1013 C2' G A 14 3.300 -12.656 15.354 1.00 0.67 C ATOM 1014 O2' G A 14 2.173 -13.471 15.613 1.00 0.80 O ATOM 1015 C1' G A 14 2.871 -11.401 14.593 1.00 0.61 C ATOM 1016 N9 G A 14 3.836 -11.026 13.567 1.00 0.50 N ATOM 1017 C8 G A 14 4.717 -9.973 13.605 1.00 0.50 C ATOM 1018 N7 G A 14 5.469 -9.896 12.541 1.00 0.47 N ATOM 1019 C5 G A 14 5.057 -10.964 11.753 1.00 0.41 C ATOM 1020 C6 G A 14 5.510 -11.393 10.479 1.00 0.40 C ATOM 1021 O6 G A 14 6.396 -10.897 9.772 1.00 0.45 O ATOM 1022 N1 G A 14 4.821 -12.523 10.039 1.00 0.41 N ATOM 1023 C2 G A 14 3.823 -13.152 10.744 1.00 0.46 C ATOM 1024 N2 G A 14 3.275 -14.226 10.160 1.00 0.55 N ATOM 1025 N3 G A 14 3.393 -12.761 11.931 1.00 0.49 N ATOM 1026 C4 G A 14 4.050 -11.669 12.372 1.00 0.44 C ATOM 0 H5' G A 14 4.457 -10.187 18.356 1.00 0.70 H new ATOM 0 H5'' G A 14 4.400 -9.150 16.944 1.00 0.70 H new ATOM 0 H4' G A 14 2.197 -11.081 17.449 1.00 0.68 H new ATOM 0 H3' G A 14 4.977 -11.872 16.525 1.00 0.67 H new ATOM 0 H2' G A 14 3.997 -13.303 14.821 1.00 0.67 H new ATOM 0 HO2' G A 14 1.820 -13.819 14.768 1.00 0.80 H new ATOM 0 H1' G A 14 1.916 -11.605 14.110 1.00 0.61 H new ATOM 0 H8 G A 14 4.781 -9.280 14.431 1.00 0.50 H new ATOM 0 H1 G A 14 5.076 -12.910 9.130 1.00 0.41 H new ATOM 0 H21 G A 14 2.529 -14.738 10.631 1.00 0.55 H new ATOM 0 H22 G A 14 3.604 -14.532 9.244 1.00 0.55 H new ATOM 1038 P C A 15 5.052 -13.852 18.164 1.00 0.87 P ATOM 1039 OP1 C A 15 4.791 -14.341 19.542 1.00 0.91 O ATOM 1040 OP2 C A 15 6.287 -13.077 17.882 1.00 1.02 O ATOM 1041 O5' C A 15 5.003 -15.098 17.176 1.00 0.85 O ATOM 1042 C5' C A 15 3.772 -15.806 16.950 1.00 0.94 C ATOM 1043 C4' C A 15 3.890 -16.684 15.729 1.00 0.97 C ATOM 1044 O4' C A 15 3.882 -15.856 14.543 1.00 0.84 O ATOM 1045 C3' C A 15 5.206 -17.429 15.622 1.00 1.09 C ATOM 1046 O3' C A 15 5.170 -18.644 16.383 1.00 1.31 O ATOM 1047 C2' C A 15 5.302 -17.725 14.130 1.00 1.09 C ATOM 1048 O2' C A 15 4.652 -18.928 13.763 1.00 1.30 O ATOM 1049 C1' C A 15 4.583 -16.525 13.510 1.00 0.89 C ATOM 1050 N1 C A 15 5.524 -15.583 12.892 1.00 0.75 N ATOM 1051 C2 C A 15 6.118 -15.940 11.680 1.00 0.77 C ATOM 1052 O2 C A 15 5.823 -17.027 11.164 1.00 0.89 O ATOM 1053 N3 C A 15 6.996 -15.101 11.103 1.00 0.70 N ATOM 1054 C4 C A 15 7.290 -13.942 11.685 1.00 0.66 C ATOM 1055 N4 C A 15 8.163 -13.153 11.070 1.00 0.71 N ATOM 1056 C5 C A 15 6.700 -13.546 12.920 1.00 0.64 C ATOM 1057 C6 C A 15 5.828 -14.390 13.486 1.00 0.66 C ATOM 0 H5' C A 15 2.955 -15.096 16.818 1.00 0.94 H new ATOM 0 H5'' C A 15 3.529 -16.414 17.821 1.00 0.94 H new ATOM 0 H4' C A 15 3.060 -17.386 15.815 1.00 0.97 H new ATOM 0 H3' C A 15 6.056 -16.866 16.009 1.00 1.09 H new ATOM 0 H2' C A 15 6.333 -17.859 13.803 1.00 1.09 H new ATOM 0 HO2' C A 15 4.512 -19.481 14.560 1.00 1.30 H new ATOM 0 HO3' C A 15 6.029 -19.109 16.298 1.00 1.31 H new ATOM 0 H1' C A 15 3.911 -16.885 12.731 1.00 0.89 H new ATOM 0 H41 C A 15 8.417 -12.255 11.482 1.00 0.71 H new ATOM 0 H42 C A 15 8.580 -13.445 10.186 1.00 0.71 H new ATOM 0 H5 C A 15 6.947 -12.601 13.382 1.00 0.64 H new ATOM 0 H6 C A 15 5.360 -14.125 14.422 1.00 0.66 H new TER 1069 C A 15