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 -12:sc= -0.433 USER MOD Single : A 2 C O2' : rot -11:sc= 0.142 USER MOD Single : A 3 C O2' : rot 47:sc= -6.37! USER MOD Single : A 4 C O2' : rot 180:sc= -1.66! USER MOD Single : A 5 U O2' : rot -4:sc= -3.43! USER MOD Single : A 6 G O2' : rot -171:sc= -0.539 USER MOD Single : A 7 A O2' : rot 180:sc= -4.87! USER MOD Single : A 8 A O2' : rot 54:sc= -1.95! USER MOD Single : A 9 A O2' : rot -16:sc= 0.156 USER MOD Single : A 10 A O2' : rot -86:sc= -2.03! USER MOD Single : A 11 A O2' : rot -86:sc= -0.885! USER MOD Single : A 12 G O2' : rot -109:sc= -0.725! USER MOD Single : A 13 G O2' : rot 53:sc= -5.56! USER MOD Single : A 14 G O2' : rot 180:sc= -3.15! USER MOD Single : A 15 C O2' : rot -12:sc= 0.176 USER MOD Single : A 15 C O3' : rot 180:sc= 0.189 USER MOD Single : B 4 GLN : amide:sc= 0.367 K(o=0.37,f=-1.4!) USER MOD Single : B 5 THR OG1 : rot 180:sc=0.000472 USER MOD Single : B 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 15 GLN :FLIP amide:sc= -1.88 F(o=-3.4,f=-1.9) USER MOD Single : B 17 GLN : amide:sc= -1.24 X(o=-1.2,f=-1.7) USER MOD Single : B 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 22 ASN :FLIP amide:sc= -5.81! C(o=-7!,f=-5.8!) USER MOD Single : B 29 SER OG : rot -150:sc= -4.53! USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 34 ASN : amide:sc= -1.25 K(o=-1.3,f=-1.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP B 2 10.219 -12.285 -1.400 1.00 0.76 N ATOM 2 CA ASP B 2 9.617 -12.332 -0.034 1.00 0.88 C ATOM 3 C ASP B 2 8.105 -12.527 -0.132 1.00 0.68 C ATOM 4 O ASP B 2 7.585 -12.946 -1.149 1.00 0.66 O ATOM 5 CB ASP B 2 9.933 -10.977 0.606 1.00 1.25 C ATOM 6 CG ASP B 2 11.420 -10.650 0.435 1.00 1.88 C ATOM 7 OD1 ASP B 2 12.195 -11.039 1.294 1.00 2.35 O ATOM 8 OD2 ASP B 2 11.757 -10.016 -0.551 1.00 2.37 O ATOM 0 HA ASP B 2 10.016 -13.159 0.554 1.00 0.88 H new ATOM 0 HB2 ASP B 2 9.326 -10.198 0.146 1.00 1.25 H new ATOM 0 HB3 ASP B 2 9.676 -10.997 1.665 1.00 1.25 H new ATOM 15 N ALA B 3 7.402 -12.226 0.921 1.00 0.63 N ATOM 16 CA ALA B 3 5.919 -12.388 0.907 1.00 0.58 C ATOM 17 C ALA B 3 5.234 -11.028 1.000 1.00 0.63 C ATOM 18 O ALA B 3 4.144 -10.838 0.495 1.00 0.61 O ATOM 19 CB ALA B 3 5.600 -13.240 2.136 1.00 0.75 C ATOM 0 H ALA B 3 7.790 -11.873 1.796 1.00 0.63 H new ATOM 0 HA ALA B 3 5.565 -12.854 -0.013 1.00 0.58 H new ATOM 0 HB1 ALA B 3 4.524 -13.404 2.196 1.00 0.75 H new ATOM 0 HB2 ALA B 3 6.109 -14.200 2.055 1.00 0.75 H new ATOM 0 HB3 ALA B 3 5.939 -12.724 3.034 1.00 0.75 H new ATOM 25 N GLN B 4 5.862 -10.075 1.631 1.00 0.75 N ATOM 26 CA GLN B 4 5.234 -8.729 1.738 1.00 0.89 C ATOM 27 C GLN B 4 5.278 -8.048 0.388 1.00 0.79 C ATOM 28 O GLN B 4 4.257 -7.683 -0.162 1.00 0.81 O ATOM 29 CB GLN B 4 6.076 -7.959 2.751 1.00 1.09 C ATOM 30 CG GLN B 4 5.452 -6.582 2.991 1.00 1.29 C ATOM 31 CD GLN B 4 6.371 -5.748 3.886 1.00 0.85 C ATOM 32 OE1 GLN B 4 7.437 -6.190 4.267 1.00 1.14 O ATOM 33 NE2 GLN B 4 5.999 -4.549 4.241 1.00 0.94 N ATOM 0 H GLN B 4 6.776 -10.169 2.074 1.00 0.75 H new ATOM 0 HA GLN B 4 4.191 -8.782 2.050 1.00 0.89 H new ATOM 0 HB2 GLN B 4 6.133 -8.513 3.688 1.00 1.09 H new ATOM 0 HB3 GLN B 4 7.096 -7.849 2.383 1.00 1.09 H new ATOM 0 HG2 GLN B 4 5.294 -6.073 2.040 1.00 1.29 H new ATOM 0 HG3 GLN B 4 4.474 -6.692 3.460 1.00 1.29 H new ATOM 0 HE21 GLN B 4 5.104 -4.177 3.922 1.00 0.94 H new ATOM 0 HE22 GLN B 4 6.603 -3.983 4.838 1.00 0.94 H new ATOM 42 N THR B 5 6.447 -7.896 -0.165 1.00 0.76 N ATOM 43 CA THR B 5 6.544 -7.264 -1.509 1.00 0.79 C ATOM 44 C THR B 5 5.525 -7.946 -2.418 1.00 0.59 C ATOM 45 O THR B 5 4.896 -7.331 -3.257 1.00 0.57 O ATOM 46 CB THR B 5 7.966 -7.530 -1.992 1.00 0.94 C ATOM 47 OG1 THR B 5 8.894 -6.996 -1.057 1.00 1.26 O ATOM 48 CG2 THR B 5 8.153 -6.858 -3.347 1.00 0.94 C ATOM 0 H THR B 5 7.334 -8.180 0.251 1.00 0.76 H new ATOM 0 HA THR B 5 6.340 -6.193 -1.500 1.00 0.79 H new ATOM 0 HB THR B 5 8.136 -8.603 -2.084 1.00 0.94 H new ATOM 0 HG1 THR B 5 9.807 -7.169 -1.367 1.00 1.26 H new ATOM 0 HG21 THR B 5 9.166 -7.039 -3.706 1.00 0.94 H new ATOM 0 HG22 THR B 5 7.437 -7.269 -4.059 1.00 0.94 H new ATOM 0 HG23 THR B 5 7.990 -5.785 -3.247 1.00 0.94 H new ATOM 56 N ARG B 6 5.332 -9.221 -2.203 1.00 0.48 N ATOM 57 CA ARG B 6 4.321 -9.974 -2.990 1.00 0.46 C ATOM 58 C ARG B 6 2.943 -9.532 -2.544 1.00 0.43 C ATOM 59 O ARG B 6 2.065 -9.268 -3.343 1.00 0.45 O ATOM 60 CB ARG B 6 4.505 -11.437 -2.599 1.00 0.56 C ATOM 61 CG ARG B 6 4.987 -12.246 -3.808 1.00 0.78 C ATOM 62 CD ARG B 6 4.182 -13.545 -3.912 1.00 1.03 C ATOM 63 NE ARG B 6 4.770 -14.449 -2.879 1.00 0.88 N ATOM 64 CZ ARG B 6 4.447 -15.719 -2.840 1.00 0.73 C ATOM 65 NH1 ARG B 6 3.603 -16.221 -3.706 1.00 1.26 N ATOM 66 NH2 ARG B 6 4.971 -16.492 -1.929 1.00 1.43 N ATOM 0 H ARG B 6 5.837 -9.774 -1.510 1.00 0.48 H new ATOM 0 HA ARG B 6 4.429 -9.815 -4.063 1.00 0.46 H new ATOM 0 HB2 ARG B 6 5.227 -11.517 -1.786 1.00 0.56 H new ATOM 0 HB3 ARG B 6 3.564 -11.845 -2.230 1.00 0.56 H new ATOM 0 HG2 ARG B 6 4.871 -11.660 -4.720 1.00 0.78 H new ATOM 0 HG3 ARG B 6 6.049 -12.471 -3.707 1.00 0.78 H new ATOM 0 HD2 ARG B 6 3.123 -13.369 -3.725 1.00 1.03 H new ATOM 0 HD3 ARG B 6 4.262 -13.980 -4.908 1.00 1.03 H new ATOM 0 HE ARG B 6 5.430 -14.075 -2.197 1.00 0.88 H new ATOM 0 HH11 ARG B 6 3.189 -15.622 -4.421 1.00 1.26 H new ATOM 0 HH12 ARG B 6 3.359 -17.211 -3.666 1.00 1.26 H new ATOM 0 HH21 ARG B 6 5.629 -16.108 -1.251 1.00 1.43 H new ATOM 0 HH22 ARG B 6 4.723 -17.481 -1.895 1.00 1.43 H new ATOM 80 N ARG B 7 2.751 -9.463 -1.256 1.00 0.61 N ATOM 81 CA ARG B 7 1.428 -9.052 -0.732 1.00 0.80 C ATOM 82 C ARG B 7 1.077 -7.666 -1.283 1.00 0.65 C ATOM 83 O ARG B 7 -0.067 -7.365 -1.558 1.00 0.56 O ATOM 84 CB ARG B 7 1.602 -9.035 0.792 1.00 1.16 C ATOM 85 CG ARG B 7 0.461 -8.252 1.459 1.00 1.10 C ATOM 86 CD ARG B 7 0.932 -7.713 2.814 1.00 0.92 C ATOM 87 NE ARG B 7 0.806 -6.224 2.704 1.00 0.41 N ATOM 88 CZ ARG B 7 1.730 -5.518 2.105 1.00 0.93 C ATOM 89 NH1 ARG B 7 2.784 -6.093 1.586 1.00 1.61 N ATOM 90 NH2 ARG B 7 1.595 -4.224 2.024 1.00 1.08 N ATOM 0 H ARG B 7 3.454 -9.674 -0.548 1.00 0.61 H new ATOM 0 HA ARG B 7 0.616 -9.718 -1.024 1.00 0.80 H new ATOM 0 HB2 ARG B 7 1.620 -10.056 1.173 1.00 1.16 H new ATOM 0 HB3 ARG B 7 2.560 -8.582 1.049 1.00 1.16 H new ATOM 0 HG2 ARG B 7 0.148 -7.428 0.817 1.00 1.10 H new ATOM 0 HG3 ARG B 7 -0.406 -8.898 1.595 1.00 1.10 H new ATOM 0 HD2 ARG B 7 0.320 -8.102 3.628 1.00 0.92 H new ATOM 0 HD3 ARG B 7 1.961 -8.008 3.020 1.00 0.92 H new ATOM 0 HE ARG B 7 -0.009 -5.756 3.100 1.00 0.41 H new ATOM 0 HH11 ARG B 7 2.894 -7.105 1.645 1.00 1.61 H new ATOM 0 HH12 ARG B 7 3.496 -5.529 1.122 1.00 1.61 H new ATOM 0 HH21 ARG B 7 0.774 -3.771 2.426 1.00 1.08 H new ATOM 0 HH22 ARG B 7 2.310 -3.665 1.559 1.00 1.08 H new ATOM 104 N ARG B 8 2.068 -6.833 -1.463 1.00 0.68 N ATOM 105 CA ARG B 8 1.819 -5.466 -2.017 1.00 0.67 C ATOM 106 C ARG B 8 1.103 -5.586 -3.345 1.00 0.48 C ATOM 107 O ARG B 8 0.181 -4.847 -3.633 1.00 0.50 O ATOM 108 CB ARG B 8 3.208 -4.858 -2.209 1.00 0.77 C ATOM 109 CG ARG B 8 3.118 -3.330 -2.166 1.00 0.73 C ATOM 110 CD ARG B 8 3.066 -2.857 -0.710 1.00 0.73 C ATOM 111 NE ARG B 8 4.282 -3.434 -0.065 1.00 0.85 N ATOM 112 CZ ARG B 8 5.471 -2.937 -0.309 1.00 1.05 C ATOM 113 NH1 ARG B 8 5.619 -1.924 -1.123 1.00 1.43 N ATOM 114 NH2 ARG B 8 6.520 -3.458 0.267 1.00 1.16 N ATOM 0 H ARG B 8 3.044 -7.040 -1.250 1.00 0.68 H new ATOM 0 HA ARG B 8 1.198 -4.852 -1.365 1.00 0.67 H new ATOM 0 HB2 ARG B 8 3.881 -5.214 -1.429 1.00 0.77 H new ATOM 0 HB3 ARG B 8 3.627 -5.180 -3.163 1.00 0.77 H new ATOM 0 HG2 ARG B 8 3.979 -2.891 -2.671 1.00 0.73 H new ATOM 0 HG3 ARG B 8 2.229 -2.993 -2.700 1.00 0.73 H new ATOM 0 HD2 ARG B 8 3.068 -1.769 -0.650 1.00 0.73 H new ATOM 0 HD3 ARG B 8 2.158 -3.202 -0.216 1.00 0.73 H new ATOM 0 HE ARG B 8 4.187 -4.224 0.573 1.00 0.85 H new ATOM 0 HH11 ARG B 8 4.804 -1.511 -1.577 1.00 1.43 H new ATOM 0 HH12 ARG B 8 6.549 -1.547 -1.304 1.00 1.43 H new ATOM 0 HH21 ARG B 8 6.413 -4.248 0.903 1.00 1.16 H new ATOM 0 HH22 ARG B 8 7.447 -3.075 0.081 1.00 1.16 H new ATOM 128 N GLU B 9 1.485 -6.536 -4.143 1.00 0.38 N ATOM 129 CA GLU B 9 0.774 -6.720 -5.433 1.00 0.34 C ATOM 130 C GLU B 9 -0.677 -7.043 -5.109 1.00 0.31 C ATOM 131 O GLU B 9 -1.589 -6.684 -5.828 1.00 0.34 O ATOM 132 CB GLU B 9 1.468 -7.887 -6.137 1.00 0.40 C ATOM 133 CG GLU B 9 2.957 -7.571 -6.311 1.00 0.59 C ATOM 134 CD GLU B 9 3.401 -7.945 -7.727 1.00 1.24 C ATOM 135 OE1 GLU B 9 2.890 -7.352 -8.663 1.00 1.73 O ATOM 136 OE2 GLU B 9 4.243 -8.819 -7.851 1.00 1.88 O ATOM 0 H GLU B 9 2.249 -7.187 -3.962 1.00 0.38 H new ATOM 0 HA GLU B 9 0.796 -5.840 -6.076 1.00 0.34 H new ATOM 0 HB2 GLU B 9 1.345 -8.800 -5.555 1.00 0.40 H new ATOM 0 HB3 GLU B 9 1.008 -8.064 -7.109 1.00 0.40 H new ATOM 0 HG2 GLU B 9 3.137 -6.511 -6.131 1.00 0.59 H new ATOM 0 HG3 GLU B 9 3.544 -8.123 -5.577 1.00 0.59 H new ATOM 143 N ARG B 10 -0.890 -7.673 -3.988 1.00 0.31 N ATOM 144 CA ARG B 10 -2.271 -7.971 -3.555 1.00 0.38 C ATOM 145 C ARG B 10 -2.868 -6.696 -2.968 1.00 0.35 C ATOM 146 O ARG B 10 -4.066 -6.581 -2.799 1.00 0.40 O ATOM 147 CB ARG B 10 -2.139 -9.058 -2.485 1.00 0.46 C ATOM 148 CG ARG B 10 -2.815 -10.339 -2.972 1.00 0.73 C ATOM 149 CD ARG B 10 -2.159 -11.547 -2.300 1.00 0.67 C ATOM 150 NE ARG B 10 -2.950 -12.725 -2.759 1.00 1.55 N ATOM 151 CZ ARG B 10 -4.151 -12.953 -2.285 1.00 2.12 C ATOM 152 NH1 ARG B 10 -4.686 -12.152 -1.399 1.00 3.14 N ATOM 153 NH2 ARG B 10 -4.822 -13.991 -2.704 1.00 2.20 N ATOM 0 H ARG B 10 -0.158 -7.994 -3.354 1.00 0.31 H new ATOM 0 HA ARG B 10 -2.917 -8.307 -4.366 1.00 0.38 H new ATOM 0 HB2 ARG B 10 -1.087 -9.248 -2.272 1.00 0.46 H new ATOM 0 HB3 ARG B 10 -2.597 -8.724 -1.554 1.00 0.46 H new ATOM 0 HG2 ARG B 10 -3.879 -10.313 -2.739 1.00 0.73 H new ATOM 0 HG3 ARG B 10 -2.728 -10.420 -4.055 1.00 0.73 H new ATOM 0 HD2 ARG B 10 -1.112 -11.638 -2.589 1.00 0.67 H new ATOM 0 HD3 ARG B 10 -2.183 -11.455 -1.214 1.00 0.67 H new ATOM 0 HE ARG B 10 -2.552 -13.361 -3.450 1.00 1.55 H new ATOM 0 HH11 ARG B 10 -4.168 -11.338 -1.069 1.00 3.14 H new ATOM 0 HH12 ARG B 10 -5.621 -12.342 -1.039 1.00 3.14 H new ATOM 0 HH21 ARG B 10 -4.412 -14.618 -3.396 1.00 2.20 H new ATOM 0 HH22 ARG B 10 -5.757 -14.175 -2.340 1.00 2.20 H new ATOM 167 N ARG B 11 -2.037 -5.724 -2.676 1.00 0.29 N ATOM 168 CA ARG B 11 -2.563 -4.454 -2.125 1.00 0.29 C ATOM 169 C ARG B 11 -2.847 -3.475 -3.257 1.00 0.24 C ATOM 170 O ARG B 11 -3.292 -2.375 -3.020 1.00 0.25 O ATOM 171 CB ARG B 11 -1.471 -3.894 -1.218 1.00 0.32 C ATOM 172 CG ARG B 11 -1.250 -4.808 -0.006 1.00 0.41 C ATOM 173 CD ARG B 11 -2.575 -5.049 0.731 1.00 0.55 C ATOM 174 NE ARG B 11 -2.728 -6.535 0.763 1.00 1.59 N ATOM 175 CZ ARG B 11 -3.839 -7.085 1.188 1.00 2.18 C ATOM 176 NH1 ARG B 11 -4.839 -6.345 1.595 1.00 3.24 N ATOM 177 NH2 ARG B 11 -3.948 -8.385 1.206 1.00 1.76 N ATOM 0 H ARG B 11 -1.025 -5.763 -2.797 1.00 0.29 H new ATOM 0 HA ARG B 11 -3.492 -4.614 -1.578 1.00 0.29 H new ATOM 0 HB2 ARG B 11 -0.542 -3.794 -1.779 1.00 0.32 H new ATOM 0 HB3 ARG B 11 -1.748 -2.895 -0.881 1.00 0.32 H new ATOM 0 HG2 ARG B 11 -0.829 -5.759 -0.332 1.00 0.41 H new ATOM 0 HG3 ARG B 11 -0.527 -4.355 0.672 1.00 0.41 H new ATOM 0 HD2 ARG B 11 -2.549 -4.632 1.738 1.00 0.55 H new ATOM 0 HD3 ARG B 11 -3.409 -4.576 0.211 1.00 0.55 H new ATOM 0 HE ARG B 11 -1.959 -7.128 0.451 1.00 1.59 H new ATOM 0 HH11 ARG B 11 -4.759 -5.328 1.584 1.00 3.24 H new ATOM 0 HH12 ARG B 11 -5.699 -6.785 1.923 1.00 3.24 H new ATOM 0 HH21 ARG B 11 -3.171 -8.966 0.891 1.00 1.76 H new ATOM 0 HH22 ARG B 11 -4.810 -8.820 1.536 1.00 1.76 H new ATOM 191 N ALA B 12 -2.618 -3.862 -4.491 1.00 0.24 N ATOM 192 CA ALA B 12 -2.920 -2.921 -5.612 1.00 0.28 C ATOM 193 C ALA B 12 -4.368 -2.459 -5.468 1.00 0.31 C ATOM 194 O ALA B 12 -4.732 -1.370 -5.866 1.00 0.33 O ATOM 195 CB ALA B 12 -2.729 -3.738 -6.892 1.00 0.34 C ATOM 0 H ALA B 12 -2.243 -4.770 -4.765 1.00 0.24 H new ATOM 0 HA ALA B 12 -2.282 -2.037 -5.620 1.00 0.28 H new ATOM 0 HB1 ALA B 12 -2.934 -3.110 -7.759 1.00 0.34 H new ATOM 0 HB2 ALA B 12 -1.702 -4.101 -6.942 1.00 0.34 H new ATOM 0 HB3 ALA B 12 -3.414 -4.586 -6.888 1.00 0.34 H new ATOM 201 N GLU B 13 -5.187 -3.279 -4.857 1.00 0.34 N ATOM 202 CA GLU B 13 -6.600 -2.889 -4.631 1.00 0.41 C ATOM 203 C GLU B 13 -6.637 -1.881 -3.485 1.00 0.38 C ATOM 204 O GLU B 13 -7.427 -0.959 -3.484 1.00 0.42 O ATOM 205 CB GLU B 13 -7.327 -4.181 -4.255 1.00 0.48 C ATOM 206 CG GLU B 13 -7.356 -5.119 -5.464 1.00 0.52 C ATOM 207 CD GLU B 13 -7.343 -6.572 -4.984 1.00 0.77 C ATOM 208 OE1 GLU B 13 -6.277 -7.050 -4.634 1.00 1.18 O ATOM 209 OE2 GLU B 13 -8.399 -7.183 -4.978 1.00 1.15 O ATOM 0 H GLU B 13 -4.931 -4.202 -4.507 1.00 0.34 H new ATOM 0 HA GLU B 13 -7.067 -2.428 -5.501 1.00 0.41 H new ATOM 0 HB2 GLU B 13 -6.823 -4.664 -3.418 1.00 0.48 H new ATOM 0 HB3 GLU B 13 -8.343 -3.958 -3.930 1.00 0.48 H new ATOM 0 HG2 GLU B 13 -8.247 -4.931 -6.062 1.00 0.52 H new ATOM 0 HG3 GLU B 13 -6.495 -4.929 -6.106 1.00 0.52 H new ATOM 216 N LYS B 14 -5.750 -2.025 -2.529 1.00 0.33 N ATOM 217 CA LYS B 14 -5.699 -1.045 -1.412 1.00 0.33 C ATOM 218 C LYS B 14 -4.987 0.201 -1.930 1.00 0.28 C ATOM 219 O LYS B 14 -5.328 1.324 -1.611 1.00 0.30 O ATOM 220 CB LYS B 14 -4.870 -1.729 -0.319 1.00 0.31 C ATOM 221 CG LYS B 14 -5.577 -3.004 0.145 1.00 0.38 C ATOM 222 CD LYS B 14 -6.876 -2.638 0.865 1.00 1.23 C ATOM 223 CE LYS B 14 -7.490 -3.897 1.482 1.00 1.37 C ATOM 224 NZ LYS B 14 -8.915 -3.548 1.735 1.00 1.83 N ATOM 0 H LYS B 14 -5.064 -2.778 -2.479 1.00 0.33 H new ATOM 0 HA LYS B 14 -6.678 -0.754 -1.032 1.00 0.33 H new ATOM 0 HB2 LYS B 14 -3.878 -1.970 -0.700 1.00 0.31 H new ATOM 0 HB3 LYS B 14 -4.732 -1.051 0.524 1.00 0.31 H new ATOM 0 HG2 LYS B 14 -5.792 -3.645 -0.710 1.00 0.38 H new ATOM 0 HG3 LYS B 14 -4.927 -3.570 0.812 1.00 0.38 H new ATOM 0 HD2 LYS B 14 -6.678 -1.899 1.641 1.00 1.23 H new ATOM 0 HD3 LYS B 14 -7.577 -2.184 0.164 1.00 1.23 H new ATOM 0 HE2 LYS B 14 -7.406 -4.748 0.807 1.00 1.37 H new ATOM 0 HE3 LYS B 14 -6.981 -4.172 2.406 1.00 1.37 H new ATOM 0 HZ1 LYS B 14 -9.402 -4.363 2.158 1.00 1.83 H new ATOM 0 HZ2 LYS B 14 -8.964 -2.739 2.387 1.00 1.83 H new ATOM 0 HZ3 LYS B 14 -9.376 -3.298 0.837 1.00 1.83 H new ATOM 238 N GLN B 15 -4.004 -0.019 -2.755 1.00 0.25 N ATOM 239 CA GLN B 15 -3.231 1.093 -3.363 1.00 0.24 C ATOM 240 C GLN B 15 -4.110 1.848 -4.353 1.00 0.28 C ATOM 241 O GLN B 15 -4.218 3.052 -4.305 1.00 0.28 O ATOM 242 CB GLN B 15 -2.080 0.385 -4.089 1.00 0.24 C ATOM 243 CG GLN B 15 -0.777 0.617 -3.330 1.00 0.25 C ATOM 244 CD GLN B 15 0.167 -0.558 -3.581 1.00 0.30 C ATOM 245 OE1 GLN B 15 -0.138 -1.731 -3.098 1.00 0.35 O flip ATOM 246 NE2 GLN B 15 1.189 -0.409 -4.220 1.00 0.33 N flip ATOM 0 H GLN B 15 -3.698 -0.949 -3.040 1.00 0.25 H new ATOM 0 HA GLN B 15 -2.877 1.823 -2.635 1.00 0.24 H new ATOM 0 HB2 GLN B 15 -2.285 -0.683 -4.162 1.00 0.24 H new ATOM 0 HB3 GLN B 15 -1.992 0.763 -5.108 1.00 0.24 H new ATOM 0 HG2 GLN B 15 -0.313 1.548 -3.656 1.00 0.25 H new ATOM 0 HG3 GLN B 15 -0.977 0.717 -2.263 1.00 0.25 H new ATOM 0 HE21 GLN B 15 1.426 0.509 -4.597 1.00 0.33 H new ATOM 0 HE22 GLN B 15 1.811 -1.202 -4.380 1.00 0.33 H new ATOM 255 N ALA B 16 -4.747 1.146 -5.244 1.00 0.35 N ATOM 256 CA ALA B 16 -5.630 1.832 -6.232 1.00 0.41 C ATOM 257 C ALA B 16 -6.831 2.436 -5.509 1.00 0.40 C ATOM 258 O ALA B 16 -7.393 3.424 -5.944 1.00 0.43 O ATOM 259 CB ALA B 16 -6.073 0.743 -7.209 1.00 0.48 C ATOM 0 H ALA B 16 -4.697 0.131 -5.334 1.00 0.35 H new ATOM 0 HA ALA B 16 -5.123 2.645 -6.752 1.00 0.41 H new ATOM 0 HB1 ALA B 16 -6.727 1.177 -7.965 1.00 0.48 H new ATOM 0 HB2 ALA B 16 -5.197 0.309 -7.692 1.00 0.48 H new ATOM 0 HB3 ALA B 16 -6.611 -0.035 -6.667 1.00 0.48 H new ATOM 265 N GLN B 17 -7.212 1.876 -4.390 1.00 0.40 N ATOM 266 CA GLN B 17 -8.355 2.457 -3.634 1.00 0.42 C ATOM 267 C GLN B 17 -7.843 3.680 -2.892 1.00 0.37 C ATOM 268 O GLN B 17 -8.514 4.685 -2.764 1.00 0.40 O ATOM 269 CB GLN B 17 -8.794 1.370 -2.653 1.00 0.45 C ATOM 270 CG GLN B 17 -9.763 0.414 -3.349 1.00 0.53 C ATOM 271 CD GLN B 17 -9.970 -0.828 -2.481 1.00 0.66 C ATOM 272 OE1 GLN B 17 -9.801 -1.940 -2.941 1.00 1.06 O ATOM 273 NE2 GLN B 17 -10.332 -0.686 -1.235 1.00 1.33 N ATOM 0 H GLN B 17 -6.784 1.050 -3.972 1.00 0.40 H new ATOM 0 HA GLN B 17 -9.188 2.759 -4.268 1.00 0.42 H new ATOM 0 HB2 GLN B 17 -7.925 0.822 -2.289 1.00 0.45 H new ATOM 0 HB3 GLN B 17 -9.273 1.822 -1.784 1.00 0.45 H new ATOM 0 HG2 GLN B 17 -10.717 0.911 -3.524 1.00 0.53 H new ATOM 0 HG3 GLN B 17 -9.369 0.127 -4.324 1.00 0.53 H new ATOM 0 HE21 GLN B 17 -10.474 0.247 -0.848 1.00 1.33 H new ATOM 0 HE22 GLN B 17 -10.473 -1.508 -0.648 1.00 1.33 H new ATOM 282 N TRP B 18 -6.630 3.596 -2.435 1.00 0.32 N ATOM 283 CA TRP B 18 -6.007 4.739 -1.728 1.00 0.30 C ATOM 284 C TRP B 18 -5.593 5.782 -2.757 1.00 0.31 C ATOM 285 O TRP B 18 -5.861 6.960 -2.623 1.00 0.35 O ATOM 286 CB TRP B 18 -4.761 4.154 -1.067 1.00 0.25 C ATOM 287 CG TRP B 18 -3.949 5.269 -0.500 1.00 0.24 C ATOM 288 CD1 TRP B 18 -3.974 5.709 0.775 1.00 0.30 C ATOM 289 CD2 TRP B 18 -2.992 6.095 -1.195 1.00 0.24 C ATOM 290 NE1 TRP B 18 -3.091 6.772 0.891 1.00 0.31 N ATOM 291 CE2 TRP B 18 -2.456 7.037 -0.299 1.00 0.29 C ATOM 292 CE3 TRP B 18 -2.546 6.106 -2.511 1.00 0.28 C ATOM 293 CZ2 TRP B 18 -1.501 7.964 -0.706 1.00 0.34 C ATOM 294 CZ3 TRP B 18 -1.594 7.023 -2.927 1.00 0.36 C ATOM 295 CH2 TRP B 18 -1.069 7.951 -2.034 1.00 0.38 C ATOM 0 H TRP B 18 -6.036 2.771 -2.523 1.00 0.32 H new ATOM 0 HA TRP B 18 -6.675 5.209 -1.007 1.00 0.30 H new ATOM 0 HB2 TRP B 18 -5.044 3.455 -0.280 1.00 0.25 H new ATOM 0 HB3 TRP B 18 -4.175 3.593 -1.795 1.00 0.25 H new ATOM 0 HD1 TRP B 18 -4.580 5.302 1.571 1.00 0.30 H new ATOM 0 HE1 TRP B 18 -2.932 7.293 1.753 1.00 0.31 H new ATOM 0 HE3 TRP B 18 -2.945 5.393 -3.217 1.00 0.28 H new ATOM 0 HZ2 TRP B 18 -1.100 8.682 -0.006 1.00 0.34 H new ATOM 0 HZ3 TRP B 18 -1.257 7.017 -3.953 1.00 0.36 H new ATOM 0 HH2 TRP B 18 -0.327 8.662 -2.368 1.00 0.38 H new ATOM 306 N LYS B 19 -4.937 5.335 -3.786 1.00 0.30 N ATOM 307 CA LYS B 19 -4.478 6.260 -4.853 1.00 0.37 C ATOM 308 C LYS B 19 -5.692 6.957 -5.428 1.00 0.46 C ATOM 309 O LYS B 19 -5.650 8.116 -5.794 1.00 0.70 O ATOM 310 CB LYS B 19 -3.814 5.377 -5.913 1.00 0.40 C ATOM 311 CG LYS B 19 -2.415 4.954 -5.459 1.00 0.49 C ATOM 312 CD LYS B 19 -1.693 4.262 -6.616 1.00 0.96 C ATOM 313 CE LYS B 19 -0.679 3.261 -6.062 1.00 1.30 C ATOM 314 NZ LYS B 19 -0.189 2.510 -7.254 1.00 1.92 N ATOM 0 H LYS B 19 -4.696 4.355 -3.935 1.00 0.30 H new ATOM 0 HA LYS B 19 -3.783 7.018 -4.490 1.00 0.37 H new ATOM 0 HB2 LYS B 19 -4.426 4.494 -6.094 1.00 0.40 H new ATOM 0 HB3 LYS B 19 -3.748 5.919 -6.857 1.00 0.40 H new ATOM 0 HG2 LYS B 19 -1.848 5.825 -5.131 1.00 0.49 H new ATOM 0 HG3 LYS B 19 -2.486 4.280 -4.605 1.00 0.49 H new ATOM 0 HD2 LYS B 19 -2.414 3.750 -7.253 1.00 0.96 H new ATOM 0 HD3 LYS B 19 -1.187 5.002 -7.237 1.00 0.96 H new ATOM 0 HE2 LYS B 19 0.139 3.769 -5.552 1.00 1.30 H new ATOM 0 HE3 LYS B 19 -1.141 2.592 -5.336 1.00 1.30 H new ATOM 0 HZ1 LYS B 19 0.512 1.803 -6.955 1.00 1.92 H new ATOM 0 HZ2 LYS B 19 -0.989 2.031 -7.715 1.00 1.92 H new ATOM 0 HZ3 LYS B 19 0.252 3.172 -7.924 1.00 1.92 H new ATOM 328 N ALA B 20 -6.788 6.256 -5.492 1.00 0.44 N ATOM 329 CA ALA B 20 -8.017 6.880 -6.024 1.00 0.52 C ATOM 330 C ALA B 20 -8.396 8.076 -5.154 1.00 0.56 C ATOM 331 O ALA B 20 -8.964 9.045 -5.619 1.00 0.74 O ATOM 332 CB ALA B 20 -9.093 5.804 -5.942 1.00 0.55 C ATOM 0 H ALA B 20 -6.881 5.283 -5.199 1.00 0.44 H new ATOM 0 HA ALA B 20 -7.890 7.238 -7.046 1.00 0.52 H new ATOM 0 HB1 ALA B 20 -10.034 6.201 -6.322 1.00 0.55 H new ATOM 0 HB2 ALA B 20 -8.794 4.944 -6.541 1.00 0.55 H new ATOM 0 HB3 ALA B 20 -9.222 5.496 -4.904 1.00 0.55 H new ATOM 338 N ALA B 21 -8.077 8.013 -3.887 1.00 0.54 N ATOM 339 CA ALA B 21 -8.409 9.144 -2.977 1.00 0.66 C ATOM 340 C ALA B 21 -7.136 9.738 -2.388 1.00 0.73 C ATOM 341 O ALA B 21 -7.136 10.315 -1.319 1.00 0.99 O ATOM 342 CB ALA B 21 -9.288 8.541 -1.884 1.00 0.71 C ATOM 0 H ALA B 21 -7.601 7.226 -3.445 1.00 0.54 H new ATOM 0 HA ALA B 21 -8.920 9.954 -3.498 1.00 0.66 H new ATOM 0 HB1 ALA B 21 -9.572 9.319 -1.175 1.00 0.71 H new ATOM 0 HB2 ALA B 21 -10.185 8.114 -2.333 1.00 0.71 H new ATOM 0 HB3 ALA B 21 -8.736 7.759 -1.363 1.00 0.71 H new ATOM 348 N ASN B 22 -6.063 9.620 -3.104 1.00 0.73 N ATOM 349 CA ASN B 22 -4.769 10.194 -2.631 1.00 0.88 C ATOM 350 C ASN B 22 -3.848 10.497 -3.816 1.00 1.08 C ATOM 351 O ASN B 22 -2.694 10.115 -3.817 1.00 0.00 O ATOM 352 CB ASN B 22 -4.138 9.138 -1.731 1.00 0.93 C ATOM 353 CG ASN B 22 -4.974 8.977 -0.463 1.00 0.94 C ATOM 354 OD1 ASN B 22 -5.501 7.820 -0.203 1.00 1.13 O flip ATOM 355 ND2 ASN B 22 -5.145 9.912 0.294 1.00 0.94 N flip ATOM 0 H ASN B 22 -6.019 9.147 -4.007 1.00 0.73 H new ATOM 0 HA ASN B 22 -4.927 11.131 -2.098 1.00 0.88 H new ATOM 0 HB2 ASN B 22 -4.074 8.187 -2.259 1.00 0.93 H new ATOM 0 HB3 ASN B 22 -3.120 9.428 -1.472 1.00 0.93 H new ATOM 0 HD21 ASN B 22 -4.729 10.820 0.086 1.00 0.94 H new ATOM 0 HD22 ASN B 22 -5.705 9.789 1.138 1.00 0.94 H new ATOM 362 N PRO B 23 -4.379 11.207 -4.774 1.00 0.00 N ATOM 363 CA PRO B 23 -3.583 11.598 -5.951 1.00 0.00 C ATOM 364 C PRO B 23 -2.584 12.651 -5.488 1.00 0.00 C ATOM 365 O PRO B 23 -1.520 12.819 -6.050 1.00 0.00 O ATOM 366 CB PRO B 23 -4.614 12.172 -6.920 1.00 0.00 C ATOM 367 CG PRO B 23 -5.747 12.611 -6.053 1.00 0.00 C ATOM 368 CD PRO B 23 -5.742 11.717 -4.839 1.00 0.00 C ATOM 0 HA PRO B 23 -3.020 10.792 -6.422 1.00 0.00 H new ATOM 0 HB2 PRO B 23 -4.203 13.007 -7.487 1.00 0.00 H new ATOM 0 HB3 PRO B 23 -4.936 11.424 -7.644 1.00 0.00 H new ATOM 0 HG2 PRO B 23 -5.630 13.655 -5.764 1.00 0.00 H new ATOM 0 HG3 PRO B 23 -6.694 12.532 -6.586 1.00 0.00 H new ATOM 0 HD2 PRO B 23 -6.003 12.270 -3.937 1.00 0.00 H new ATOM 0 HD3 PRO B 23 -6.465 10.908 -4.938 1.00 0.00 H new ATOM 376 N LEU B 24 -2.923 13.342 -4.427 1.00 0.00 N ATOM 377 CA LEU B 24 -2.003 14.370 -3.868 1.00 0.00 C ATOM 378 C LEU B 24 -0.699 13.686 -3.449 1.00 0.00 C ATOM 379 O LEU B 24 0.382 14.220 -3.601 1.00 0.00 O ATOM 380 CB LEU B 24 -2.757 14.965 -2.659 1.00 0.00 C ATOM 381 CG LEU B 24 -2.445 14.195 -1.356 1.00 0.00 C ATOM 382 CD1 LEU B 24 -2.935 15.015 -0.161 1.00 0.00 C ATOM 383 CD2 LEU B 24 -3.154 12.828 -1.351 1.00 0.00 C ATOM 0 H LEU B 24 -3.804 13.234 -3.924 1.00 0.00 H new ATOM 0 HA LEU B 24 -1.738 15.154 -4.578 1.00 0.00 H new ATOM 0 HB2 LEU B 24 -2.481 16.013 -2.538 1.00 0.00 H new ATOM 0 HB3 LEU B 24 -3.830 14.938 -2.850 1.00 0.00 H new ATOM 0 HG LEU B 24 -1.369 14.034 -1.292 1.00 0.00 H new ATOM 0 HD11 LEU B 24 -2.718 14.478 0.762 1.00 0.00 H new ATOM 0 HD12 LEU B 24 -2.426 15.979 -0.148 1.00 0.00 H new ATOM 0 HD13 LEU B 24 -4.010 15.173 -0.245 1.00 0.00 H new ATOM 0 HD21 LEU B 24 -2.922 12.301 -0.425 1.00 0.00 H new ATOM 0 HD22 LEU B 24 -4.231 12.977 -1.424 1.00 0.00 H new ATOM 0 HD23 LEU B 24 -2.811 12.237 -2.200 1.00 0.00 H new ATOM 395 N LEU B 25 -0.810 12.479 -2.968 1.00 0.00 N ATOM 396 CA LEU B 25 0.392 11.695 -2.581 1.00 0.00 C ATOM 397 C LEU B 25 0.702 10.772 -3.747 1.00 0.00 C ATOM 398 O LEU B 25 1.124 9.643 -3.597 1.00 0.00 O ATOM 399 CB LEU B 25 -0.039 10.897 -1.352 1.00 0.00 C ATOM 400 CG LEU B 25 0.148 11.749 -0.098 1.00 0.00 C ATOM 401 CD1 LEU B 25 -0.625 11.123 1.064 1.00 0.00 C ATOM 402 CD2 LEU B 25 1.636 11.816 0.256 1.00 0.00 C ATOM 0 H LEU B 25 -1.698 11.997 -2.825 1.00 0.00 H new ATOM 0 HA LEU B 25 1.275 12.295 -2.359 1.00 0.00 H new ATOM 0 HB2 LEU B 25 -1.082 10.597 -1.448 1.00 0.00 H new ATOM 0 HB3 LEU B 25 0.550 9.983 -1.274 1.00 0.00 H new ATOM 0 HG LEU B 25 -0.227 12.755 -0.283 1.00 0.00 H new ATOM 0 HD11 LEU B 25 -0.492 11.731 1.959 1.00 0.00 H new ATOM 0 HD12 LEU B 25 -1.684 11.075 0.812 1.00 0.00 H new ATOM 0 HD13 LEU B 25 -0.250 10.116 1.250 1.00 0.00 H new ATOM 0 HD21 LEU B 25 1.770 12.424 1.151 1.00 0.00 H new ATOM 0 HD22 LEU B 25 2.012 10.810 0.441 1.00 0.00 H new ATOM 0 HD23 LEU B 25 2.187 12.262 -0.572 1.00 0.00 H new ATOM 414 N VAL B 26 0.437 11.270 -4.910 1.00 0.00 N ATOM 415 CA VAL B 26 0.624 10.498 -6.153 1.00 0.00 C ATOM 416 C VAL B 26 0.941 11.489 -7.278 1.00 0.00 C ATOM 417 O VAL B 26 0.641 12.661 -7.166 1.00 0.00 O ATOM 418 CB VAL B 26 -0.750 9.828 -6.327 1.00 0.00 C ATOM 419 CG1 VAL B 26 -1.175 9.840 -7.794 1.00 0.00 C ATOM 420 CG2 VAL B 26 -0.676 8.386 -5.821 1.00 0.00 C ATOM 0 H VAL B 26 0.085 12.216 -5.054 1.00 0.00 H new ATOM 0 HA VAL B 26 1.433 9.767 -6.148 1.00 0.00 H new ATOM 0 HB VAL B 26 -1.489 10.384 -5.751 1.00 0.00 H new ATOM 0 HG11 VAL B 26 -2.149 9.361 -7.895 1.00 0.00 H new ATOM 0 HG12 VAL B 26 -1.238 10.870 -8.146 1.00 0.00 H new ATOM 0 HG13 VAL B 26 -0.441 9.297 -8.390 1.00 0.00 H new ATOM 0 HG21 VAL B 26 -1.648 7.907 -5.942 1.00 0.00 H new ATOM 0 HG22 VAL B 26 0.073 7.838 -6.393 1.00 0.00 H new ATOM 0 HG23 VAL B 26 -0.400 8.384 -4.767 1.00 0.00 H new ATOM 430 N GLY B 27 1.539 11.050 -8.356 1.00 0.00 N ATOM 431 CA GLY B 27 1.849 12.007 -9.464 1.00 0.00 C ATOM 432 C GLY B 27 0.582 12.803 -9.783 1.00 0.00 C ATOM 433 O GLY B 27 -0.513 12.307 -9.610 1.00 0.00 O ATOM 0 H GLY B 27 1.823 10.084 -8.518 1.00 0.00 H new ATOM 0 HA2 GLY B 27 2.655 12.679 -9.170 1.00 0.00 H new ATOM 0 HA3 GLY B 27 2.190 11.467 -10.347 1.00 0.00 H new ATOM 437 N VAL B 28 0.706 14.033 -10.225 1.00 0.00 N ATOM 438 CA VAL B 28 -0.523 14.831 -10.528 1.00 0.00 C ATOM 439 C VAL B 28 -1.506 13.977 -11.323 1.00 0.00 C ATOM 440 O VAL B 28 -1.115 13.207 -12.180 1.00 0.00 O ATOM 441 CB VAL B 28 -0.065 16.029 -11.360 1.00 0.00 C ATOM 442 CG1 VAL B 28 -1.296 16.816 -11.835 1.00 0.00 C ATOM 443 CG2 VAL B 28 0.821 16.935 -10.501 1.00 0.00 C ATOM 0 H VAL B 28 1.592 14.512 -10.387 1.00 0.00 H new ATOM 0 HA VAL B 28 -1.026 15.157 -9.618 1.00 0.00 H new ATOM 0 HB VAL B 28 0.502 15.681 -12.224 1.00 0.00 H new ATOM 0 HG11 VAL B 28 -0.974 17.671 -12.429 1.00 0.00 H new ATOM 0 HG12 VAL B 28 -1.929 16.170 -12.443 1.00 0.00 H new ATOM 0 HG13 VAL B 28 -1.860 17.166 -10.970 1.00 0.00 H new ATOM 0 HG21 VAL B 28 1.149 17.790 -11.092 1.00 0.00 H new ATOM 0 HG22 VAL B 28 0.254 17.286 -9.639 1.00 0.00 H new ATOM 0 HG23 VAL B 28 1.692 16.375 -10.160 1.00 0.00 H new ATOM 453 N SER B 29 -2.772 14.093 -11.027 1.00 0.00 N ATOM 454 CA SER B 29 -3.797 13.275 -11.738 1.00 0.00 C ATOM 455 C SER B 29 -3.293 11.839 -11.892 1.00 0.00 C ATOM 456 O SER B 29 -3.566 11.165 -12.865 1.00 0.00 O ATOM 457 CB SER B 29 -4.002 13.942 -13.099 1.00 0.00 C ATOM 458 OG SER B 29 -2.741 14.258 -13.674 1.00 0.00 O ATOM 0 H SER B 29 -3.143 14.724 -10.317 1.00 0.00 H new ATOM 0 HA SER B 29 -4.738 13.226 -11.190 1.00 0.00 H new ATOM 0 HB2 SER B 29 -4.557 13.277 -13.760 1.00 0.00 H new ATOM 0 HB3 SER B 29 -4.597 14.848 -12.985 1.00 0.00 H new ATOM 0 HG SER B 29 -2.830 15.051 -14.243 1.00 0.00 H new ATOM 464 N ALA B 30 -2.542 11.392 -10.919 1.00 0.00 N ATOM 465 CA ALA B 30 -1.963 10.011 -10.940 1.00 0.00 C ATOM 466 C ALA B 30 -1.539 9.610 -12.360 1.00 0.00 C ATOM 467 O ALA B 30 -2.004 8.629 -12.905 1.00 0.00 O ATOM 468 CB ALA B 30 -3.069 9.098 -10.412 1.00 0.00 C ATOM 0 H ALA B 30 -2.299 11.937 -10.092 1.00 0.00 H new ATOM 0 HA ALA B 30 -1.063 9.942 -10.330 1.00 0.00 H new ATOM 0 HB1 ALA B 30 -2.715 8.067 -10.399 1.00 0.00 H new ATOM 0 HB2 ALA B 30 -3.339 9.401 -9.401 1.00 0.00 H new ATOM 0 HB3 ALA B 30 -3.943 9.173 -11.059 1.00 0.00 H new ATOM 474 N LYS B 31 -0.656 10.369 -12.955 1.00 0.00 N ATOM 475 CA LYS B 31 -0.191 10.045 -14.336 1.00 0.00 C ATOM 476 C LYS B 31 1.154 10.734 -14.615 1.00 0.00 C ATOM 477 O LYS B 31 1.335 11.888 -14.280 1.00 0.00 O ATOM 478 CB LYS B 31 -1.279 10.590 -15.266 1.00 0.00 C ATOM 479 CG LYS B 31 -1.500 12.081 -14.992 1.00 0.00 C ATOM 480 CD LYS B 31 -2.421 12.669 -16.065 1.00 0.00 C ATOM 481 CE LYS B 31 -3.791 11.991 -15.997 1.00 0.00 C ATOM 482 NZ LYS B 31 -4.739 12.985 -16.573 1.00 0.00 N ATOM 0 H LYS B 31 -0.236 11.202 -12.542 1.00 0.00 H new ATOM 0 HA LYS B 31 -0.037 8.975 -14.479 1.00 0.00 H new ATOM 0 HB2 LYS B 31 -0.989 10.442 -16.306 1.00 0.00 H new ATOM 0 HB3 LYS B 31 -2.208 10.042 -15.113 1.00 0.00 H new ATOM 0 HG2 LYS B 31 -1.941 12.218 -14.005 1.00 0.00 H new ATOM 0 HG3 LYS B 31 -0.545 12.606 -14.990 1.00 0.00 H new ATOM 0 HD2 LYS B 31 -2.529 13.743 -15.917 1.00 0.00 H new ATOM 0 HD3 LYS B 31 -1.982 12.526 -17.053 1.00 0.00 H new ATOM 0 HE2 LYS B 31 -3.800 11.061 -16.565 1.00 0.00 H new ATOM 0 HE3 LYS B 31 -4.057 11.740 -14.970 1.00 0.00 H new ATOM 0 HZ1 LYS B 31 -5.702 12.593 -16.561 1.00 0.00 H new ATOM 0 HZ2 LYS B 31 -4.713 13.857 -16.008 1.00 0.00 H new ATOM 0 HZ3 LYS B 31 -4.464 13.199 -17.553 1.00 0.00 H new ATOM 496 N PRO B 32 2.061 10.003 -15.217 1.00 0.00 N ATOM 497 CA PRO B 32 3.395 10.566 -15.533 1.00 0.00 C ATOM 498 C PRO B 32 3.323 11.444 -16.787 1.00 0.00 C ATOM 499 O PRO B 32 3.977 11.181 -17.778 1.00 0.00 O ATOM 500 CB PRO B 32 4.252 9.332 -15.789 1.00 0.00 C ATOM 501 CG PRO B 32 3.292 8.265 -16.220 1.00 0.00 C ATOM 502 CD PRO B 32 1.936 8.606 -15.652 1.00 0.00 C ATOM 0 HA PRO B 32 3.790 11.199 -14.739 1.00 0.00 H new ATOM 0 HB2 PRO B 32 4.998 9.524 -16.560 1.00 0.00 H new ATOM 0 HB3 PRO B 32 4.792 9.035 -14.890 1.00 0.00 H new ATOM 0 HG2 PRO B 32 3.247 8.209 -17.308 1.00 0.00 H new ATOM 0 HG3 PRO B 32 3.621 7.289 -15.863 1.00 0.00 H new ATOM 0 HD2 PRO B 32 1.152 8.492 -16.401 1.00 0.00 H new ATOM 0 HD3 PRO B 32 1.679 7.952 -14.819 1.00 0.00 H new ATOM 510 N VAL B 33 2.532 12.484 -16.753 1.00 0.00 N ATOM 511 CA VAL B 33 2.417 13.374 -17.947 1.00 0.00 C ATOM 512 C VAL B 33 2.381 14.840 -17.508 1.00 0.00 C ATOM 513 O VAL B 33 1.800 15.177 -16.494 1.00 0.00 O ATOM 514 CB VAL B 33 1.093 12.983 -18.612 1.00 0.00 C ATOM 515 CG1 VAL B 33 1.007 13.630 -19.995 1.00 0.00 C ATOM 516 CG2 VAL B 33 1.017 11.459 -18.762 1.00 0.00 C ATOM 0 H VAL B 33 1.962 12.756 -15.952 1.00 0.00 H new ATOM 0 HA VAL B 33 3.262 13.263 -18.627 1.00 0.00 H new ATOM 0 HB VAL B 33 0.265 13.328 -17.992 1.00 0.00 H new ATOM 0 HG11 VAL B 33 0.065 13.352 -20.469 1.00 0.00 H new ATOM 0 HG12 VAL B 33 1.056 14.714 -19.893 1.00 0.00 H new ATOM 0 HG13 VAL B 33 1.838 13.285 -20.610 1.00 0.00 H new ATOM 0 HG21 VAL B 33 0.074 11.187 -19.235 1.00 0.00 H new ATOM 0 HG22 VAL B 33 1.846 11.112 -19.379 1.00 0.00 H new ATOM 0 HG23 VAL B 33 1.077 10.993 -17.778 1.00 0.00 H new ATOM 526 N ASN B 34 2.996 15.718 -18.259 1.00 0.00 N ATOM 527 CA ASN B 34 2.990 17.159 -17.872 1.00 0.00 C ATOM 528 C ASN B 34 1.933 17.925 -18.674 1.00 0.00 C ATOM 529 O ASN B 34 2.161 19.025 -19.139 1.00 0.00 O ATOM 530 CB ASN B 34 4.408 17.669 -18.170 1.00 0.00 C ATOM 531 CG ASN B 34 4.596 17.888 -19.676 1.00 0.00 C ATOM 532 OD1 ASN B 34 4.366 18.970 -20.178 1.00 0.00 O ATOM 533 ND2 ASN B 34 5.014 16.902 -20.421 1.00 0.00 N ATOM 0 H ASN B 34 3.499 15.500 -19.119 1.00 0.00 H new ATOM 0 HA ASN B 34 2.735 17.303 -16.822 1.00 0.00 H new ATOM 0 HB2 ASN B 34 4.584 18.603 -17.636 1.00 0.00 H new ATOM 0 HB3 ASN B 34 5.143 16.951 -17.807 1.00 0.00 H new ATOM 0 HD21 ASN B 34 5.147 17.041 -21.423 1.00 0.00 H new ATOM 0 HD22 ASN B 34 5.208 15.993 -20.002 1.00 0.00 H new ATOM 540 N ARG B 35 0.772 17.349 -18.820 1.00 0.00 N ATOM 541 CA ARG B 35 -0.329 18.026 -19.573 1.00 0.00 C ATOM 542 C ARG B 35 0.169 18.545 -20.932 1.00 0.00 C ATOM 543 O ARG B 35 0.408 19.725 -21.093 1.00 0.00 O ATOM 544 CB ARG B 35 -0.761 19.189 -18.677 1.00 0.00 C ATOM 545 CG ARG B 35 -1.265 18.641 -17.339 1.00 0.00 C ATOM 546 CD ARG B 35 -2.769 18.375 -17.429 1.00 0.00 C ATOM 547 NE ARG B 35 -3.404 19.540 -16.746 1.00 0.00 N ATOM 548 CZ ARG B 35 -3.351 19.662 -15.441 1.00 0.00 C ATOM 549 NH1 ARG B 35 -2.742 18.764 -14.708 1.00 0.00 N ATOM 550 NH2 ARG B 35 -3.913 20.690 -14.867 1.00 0.00 N ATOM 0 H ARG B 35 0.534 16.430 -18.448 1.00 0.00 H new ATOM 0 HA ARG B 35 -1.151 17.344 -19.790 1.00 0.00 H new ATOM 0 HB2 ARG B 35 0.077 19.866 -18.513 1.00 0.00 H new ATOM 0 HB3 ARG B 35 -1.546 19.766 -19.165 1.00 0.00 H new ATOM 0 HG2 ARG B 35 -0.737 17.721 -17.089 1.00 0.00 H new ATOM 0 HG3 ARG B 35 -1.058 19.354 -16.541 1.00 0.00 H new ATOM 0 HD2 ARG B 35 -3.096 18.298 -18.466 1.00 0.00 H new ATOM 0 HD3 ARG B 35 -3.035 17.437 -16.941 1.00 0.00 H new ATOM 0 HE ARG B 35 -3.884 20.249 -17.300 1.00 0.00 H new ATOM 0 HH11 ARG B 35 -2.302 17.958 -15.151 1.00 0.00 H new ATOM 0 HH12 ARG B 35 -2.708 18.871 -13.694 1.00 0.00 H new ATOM 0 HH21 ARG B 35 -4.390 21.392 -15.433 1.00 0.00 H new ATOM 0 HH22 ARG B 35 -3.876 20.791 -13.853 1.00 0.00 H new ATOM 564 N PRO B 36 0.305 17.640 -21.867 1.00 0.00 N ATOM 565 CA PRO B 36 0.775 18.013 -23.223 1.00 0.00 C ATOM 566 C PRO B 36 -0.344 18.713 -24.001 1.00 0.00 C ATOM 567 O PRO B 36 -1.192 19.316 -23.365 1.00 0.00 O ATOM 568 CB PRO B 36 1.120 16.671 -23.864 1.00 0.00 C ATOM 569 CG PRO B 36 0.285 15.665 -23.137 1.00 0.00 C ATOM 570 CD PRO B 36 0.042 16.200 -21.750 1.00 0.00 C ATOM 571 OXT PRO B 36 -0.333 18.633 -25.218 1.00 0.00 O ATOM 0 HA PRO B 36 1.618 18.704 -23.209 1.00 0.00 H new ATOM 0 HB2 PRO B 36 0.894 16.674 -24.930 1.00 0.00 H new ATOM 0 HB3 PRO B 36 2.182 16.448 -23.764 1.00 0.00 H new ATOM 0 HG2 PRO B 36 -0.659 15.502 -23.657 1.00 0.00 H new ATOM 0 HG3 PRO B 36 0.795 14.703 -23.093 1.00 0.00 H new ATOM 0 HD2 PRO B 36 -0.980 16.007 -21.422 1.00 0.00 H new ATOM 0 HD3 PRO B 36 0.704 15.732 -21.021 1.00 0.00 H new TER 579 PRO B 36 ATOM 580 P G A 1 12.513 -17.930 -0.066 1.00 1.31 P ATOM 581 OP1 G A 1 12.686 -17.401 -1.442 1.00 1.51 O ATOM 582 OP2 G A 1 11.478 -18.962 0.198 1.00 1.52 O ATOM 583 O5' G A 1 12.251 -16.698 0.909 1.00 1.09 O ATOM 584 C5' G A 1 12.517 -16.801 2.320 1.00 1.03 C ATOM 585 C4' G A 1 11.446 -17.628 2.993 1.00 0.94 C ATOM 586 O4' G A 1 11.694 -17.625 4.420 1.00 1.02 O ATOM 587 C3' G A 1 10.039 -17.070 2.862 1.00 0.80 C ATOM 588 O3' G A 1 9.429 -17.523 1.658 1.00 0.75 O ATOM 589 C2' G A 1 9.332 -17.646 4.085 1.00 0.78 C ATOM 590 O2' G A 1 8.825 -18.948 3.865 1.00 0.77 O ATOM 591 C1' G A 1 10.461 -17.689 5.116 1.00 0.90 C ATOM 592 N9 G A 1 10.385 -16.548 6.017 1.00 0.90 N ATOM 593 C8 G A 1 11.112 -15.385 5.952 1.00 0.97 C ATOM 594 N7 G A 1 10.792 -14.531 6.884 1.00 0.99 N ATOM 595 C5 G A 1 9.796 -15.172 7.607 1.00 0.90 C ATOM 596 C6 G A 1 9.062 -14.740 8.736 1.00 0.88 C ATOM 597 O6 G A 1 9.149 -13.669 9.338 1.00 0.94 O ATOM 598 N1 G A 1 8.145 -15.701 9.156 1.00 0.82 N ATOM 599 C2 G A 1 7.966 -16.926 8.558 1.00 0.81 C ATOM 600 N2 G A 1 7.034 -17.724 9.103 1.00 0.83 N ATOM 601 N3 G A 1 8.646 -17.339 7.503 1.00 0.83 N ATOM 602 C4 G A 1 9.537 -16.418 7.085 1.00 0.86 C ATOM 0 H5' G A 1 12.552 -15.806 2.765 1.00 1.03 H new ATOM 0 H5'' G A 1 13.494 -17.257 2.481 1.00 1.03 H new ATOM 0 H4' G A 1 11.495 -18.604 2.510 1.00 0.94 H new ATOM 0 H3' G A 1 10.004 -15.981 2.819 1.00 0.80 H new ATOM 0 H2' G A 1 8.463 -17.057 4.377 1.00 0.78 H new ATOM 0 HO2' G A 1 8.865 -19.157 2.908 1.00 0.77 H new ATOM 0 H1' G A 1 10.376 -18.605 5.700 1.00 0.90 H new ATOM 0 H8 G A 1 11.870 -15.197 5.206 1.00 0.97 H new ATOM 0 H1 G A 1 7.565 -15.480 9.965 1.00 0.82 H new ATOM 0 H21 G A 1 6.855 -18.645 8.704 1.00 0.83 H new ATOM 0 H22 G A 1 6.505 -17.409 9.916 1.00 0.83 H new ATOM 614 P C A 2 8.161 -16.735 1.064 1.00 0.69 P ATOM 615 OP1 C A 2 7.704 -17.472 -0.142 1.00 0.82 O ATOM 616 OP2 C A 2 8.514 -15.296 0.954 1.00 0.84 O ATOM 617 O5' C A 2 7.048 -16.894 2.193 1.00 0.58 O ATOM 618 C5' C A 2 6.234 -18.079 2.264 1.00 0.57 C ATOM 619 C4' C A 2 4.971 -17.795 3.040 1.00 0.55 C ATOM 620 O4' C A 2 5.324 -17.523 4.418 1.00 0.54 O ATOM 621 C3' C A 2 4.227 -16.544 2.602 1.00 0.51 C ATOM 622 O3' C A 2 3.339 -16.838 1.526 1.00 0.59 O ATOM 623 C2' C A 2 3.454 -16.156 3.857 1.00 0.53 C ATOM 624 O2' C A 2 2.205 -16.814 3.953 1.00 0.67 O ATOM 625 C1' C A 2 4.384 -16.627 4.978 1.00 0.51 C ATOM 626 N1 C A 2 5.121 -15.523 5.610 1.00 0.45 N ATOM 627 C2 C A 2 4.628 -14.998 6.804 1.00 0.44 C ATOM 628 O2 C A 2 3.593 -15.482 7.285 1.00 0.49 O ATOM 629 N3 C A 2 5.289 -13.983 7.404 1.00 0.43 N ATOM 630 C4 C A 2 6.400 -13.494 6.853 1.00 0.45 C ATOM 631 N4 C A 2 7.019 -12.492 7.481 1.00 0.49 N ATOM 632 C5 C A 2 6.926 -14.010 5.633 1.00 0.47 C ATOM 633 C6 C A 2 6.261 -15.017 5.049 1.00 0.46 C ATOM 0 H5' C A 2 6.791 -18.884 2.743 1.00 0.57 H new ATOM 0 H5'' C A 2 5.984 -18.419 1.259 1.00 0.57 H new ATOM 0 H4' C A 2 4.342 -18.671 2.881 1.00 0.55 H new ATOM 0 H3' C A 2 4.882 -15.752 2.237 1.00 0.51 H new ATOM 0 H2' C A 2 3.214 -15.093 3.881 1.00 0.53 H new ATOM 0 HO2' C A 2 2.005 -17.261 3.104 1.00 0.67 H new ATOM 0 H1' C A 2 3.769 -17.095 5.747 1.00 0.51 H new ATOM 0 H41 C A 2 7.872 -12.093 7.088 1.00 0.49 H new ATOM 0 H42 C A 2 6.639 -12.125 8.354 1.00 0.49 H new ATOM 0 H5 C A 2 7.826 -13.605 5.195 1.00 0.47 H new ATOM 0 H6 C A 2 6.630 -15.434 4.124 1.00 0.46 H new ATOM 645 P C A 3 2.477 -15.656 0.859 1.00 0.67 P ATOM 646 OP1 C A 3 1.141 -16.196 0.501 1.00 1.20 O ATOM 647 OP2 C A 3 3.321 -15.030 -0.191 1.00 1.00 O ATOM 648 O5' C A 3 2.291 -14.601 2.037 1.00 0.89 O ATOM 649 C5' C A 3 1.110 -13.780 2.121 1.00 0.68 C ATOM 650 C4' C A 3 0.584 -13.765 3.534 1.00 0.61 C ATOM 651 O4' C A 3 1.715 -13.850 4.435 1.00 0.67 O ATOM 652 C3' C A 3 -0.104 -12.467 3.902 1.00 0.56 C ATOM 653 O3' C A 3 -1.492 -12.521 3.539 1.00 0.57 O ATOM 654 C2' C A 3 0.136 -12.353 5.406 1.00 0.57 C ATOM 655 O2' C A 3 -0.819 -13.023 6.202 1.00 0.64 O ATOM 656 C1' C A 3 1.494 -13.036 5.572 1.00 0.62 C ATOM 657 N1 C A 3 2.601 -12.073 5.642 1.00 0.61 N ATOM 658 C2 C A 3 2.723 -11.256 6.768 1.00 0.56 C ATOM 659 O2 C A 3 1.896 -11.368 7.684 1.00 0.55 O ATOM 660 N3 C A 3 3.737 -10.362 6.829 1.00 0.58 N ATOM 661 C4 C A 3 4.605 -10.271 5.821 1.00 0.65 C ATOM 662 N4 C A 3 5.589 -9.378 5.923 1.00 0.71 N ATOM 663 C5 C A 3 4.505 -11.093 4.663 1.00 0.71 C ATOM 664 C6 C A 3 3.498 -11.973 4.614 1.00 0.68 C ATOM 0 H5' C A 3 0.345 -14.161 1.445 1.00 0.68 H new ATOM 0 H5'' C A 3 1.341 -12.764 1.801 1.00 0.68 H new ATOM 0 H4' C A 3 -0.123 -14.591 3.610 1.00 0.61 H new ATOM 0 H3' C A 3 0.276 -11.590 3.379 1.00 0.56 H new ATOM 0 H2' C A 3 0.079 -11.314 5.732 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.965 -13.925 5.848 1.00 0.64 H new ATOM 0 H1' C A 3 1.471 -13.604 6.502 1.00 0.62 H new ATOM 0 H41 C A 3 6.271 -9.282 5.170 1.00 0.71 H new ATOM 0 H42 C A 3 5.660 -8.791 6.754 1.00 0.71 H new ATOM 0 H5 C A 3 5.216 -11.009 3.854 1.00 0.71 H new ATOM 0 H6 C A 3 3.392 -12.613 3.751 1.00 0.68 H new ATOM 676 P C A 4 -2.569 -13.189 4.528 1.00 0.57 P ATOM 677 OP1 C A 4 -1.949 -14.368 5.185 1.00 0.73 O ATOM 678 OP2 C A 4 -3.825 -13.361 3.753 1.00 0.60 O ATOM 679 O5' C A 4 -2.826 -12.050 5.611 1.00 0.61 O ATOM 680 C5' C A 4 -2.737 -10.662 5.238 1.00 0.51 C ATOM 681 C4' C A 4 -2.727 -9.785 6.463 1.00 0.47 C ATOM 682 O4' C A 4 -1.445 -9.921 7.124 1.00 0.55 O ATOM 683 C3' C A 4 -2.825 -8.303 6.158 1.00 0.45 C ATOM 684 O3' C A 4 -4.182 -7.895 6.035 1.00 0.51 O ATOM 685 C2' C A 4 -2.163 -7.663 7.370 1.00 0.47 C ATOM 686 O2' C A 4 -3.052 -7.493 8.457 1.00 0.57 O ATOM 687 C1' C A 4 -1.090 -8.691 7.729 1.00 0.48 C ATOM 688 N1 C A 4 0.237 -8.301 7.231 1.00 0.43 N ATOM 689 C2 C A 4 0.913 -7.251 7.856 1.00 0.39 C ATOM 690 O2 C A 4 0.375 -6.672 8.813 1.00 0.43 O ATOM 691 N3 C A 4 2.133 -6.893 7.400 1.00 0.38 N ATOM 692 C4 C A 4 2.673 -7.543 6.367 1.00 0.45 C ATOM 693 N4 C A 4 3.874 -7.166 5.949 1.00 0.51 N ATOM 694 C5 C A 4 2.005 -8.611 5.716 1.00 0.51 C ATOM 695 C6 C A 4 0.802 -8.955 6.174 1.00 0.48 C ATOM 0 H5' C A 4 -3.580 -10.396 4.600 1.00 0.51 H new ATOM 0 H5'' C A 4 -1.831 -10.493 4.656 1.00 0.51 H new ATOM 0 H4' C A 4 -3.587 -10.104 7.053 1.00 0.47 H new ATOM 0 H3' C A 4 -2.355 -8.023 5.215 1.00 0.45 H new ATOM 0 H2' C A 4 -1.791 -6.661 7.157 1.00 0.47 H new ATOM 0 HO2' C A 4 -2.576 -7.080 9.207 1.00 0.57 H new ATOM 0 H1' C A 4 -1.036 -8.766 8.815 1.00 0.48 H new ATOM 0 H41 C A 4 4.313 -7.643 5.162 1.00 0.51 H new ATOM 0 H42 C A 4 4.358 -6.399 6.415 1.00 0.51 H new ATOM 0 H5 C A 4 2.455 -9.126 4.880 1.00 0.51 H new ATOM 0 H6 C A 4 0.265 -9.764 5.701 1.00 0.48 H new ATOM 707 P U A 5 -4.545 -6.608 5.145 1.00 0.57 P ATOM 708 OP1 U A 5 -6.025 -6.547 5.032 1.00 0.62 O ATOM 709 OP2 U A 5 -3.716 -6.641 3.915 1.00 0.77 O ATOM 710 O5' U A 5 -4.064 -5.381 6.041 1.00 0.49 O ATOM 711 C5' U A 5 -4.606 -5.181 7.357 1.00 0.45 C ATOM 712 C4' U A 5 -3.817 -4.128 8.096 1.00 0.41 C ATOM 713 O4' U A 5 -2.469 -4.602 8.326 1.00 0.47 O ATOM 714 C3' U A 5 -3.607 -2.834 7.334 1.00 0.35 C ATOM 715 O3' U A 5 -4.755 -1.994 7.476 1.00 0.36 O ATOM 716 C2' U A 5 -2.384 -2.240 8.025 1.00 0.41 C ATOM 717 O2' U A 5 -2.711 -1.457 9.157 1.00 0.50 O ATOM 718 C1' U A 5 -1.610 -3.485 8.456 1.00 0.43 C ATOM 719 N1 U A 5 -0.401 -3.704 7.651 1.00 0.43 N ATOM 720 C2 U A 5 0.634 -2.820 7.850 1.00 0.40 C ATOM 721 O2 U A 5 0.562 -1.895 8.644 1.00 0.39 O ATOM 722 N3 U A 5 1.752 -3.052 7.092 1.00 0.43 N ATOM 723 C4 U A 5 1.936 -4.054 6.172 1.00 0.50 C ATOM 724 O4 U A 5 3.008 -4.125 5.567 1.00 0.54 O ATOM 725 C5 U A 5 0.818 -4.934 6.018 1.00 0.55 C ATOM 726 C6 U A 5 -0.293 -4.736 6.746 1.00 0.51 C ATOM 0 H5' U A 5 -4.584 -6.118 7.913 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.651 -4.878 7.285 1.00 0.45 H new ATOM 0 H4' U A 5 -4.406 -3.943 8.994 1.00 0.41 H new ATOM 0 H3' U A 5 -3.465 -2.960 6.261 1.00 0.35 H new ATOM 0 H2' U A 5 -1.836 -1.563 7.370 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.685 -1.399 9.244 1.00 0.50 H new ATOM 0 H1' U A 5 -1.285 -3.347 9.487 1.00 0.43 H new ATOM 0 H3 U A 5 2.533 -2.410 7.226 1.00 0.43 H new ATOM 0 H5 U A 5 0.868 -5.755 5.318 1.00 0.55 H new ATOM 0 H6 U A 5 -1.129 -5.408 6.617 1.00 0.51 H new ATOM 737 P G A 6 -4.586 -0.393 7.503 1.00 0.43 P ATOM 738 OP1 G A 6 -4.564 0.051 8.919 1.00 0.65 O ATOM 739 OP2 G A 6 -5.597 0.174 6.574 1.00 0.54 O ATOM 740 O5' G A 6 -3.146 -0.137 6.875 1.00 0.43 O ATOM 741 C5' G A 6 -2.190 0.720 7.532 1.00 0.47 C ATOM 742 C4' G A 6 -1.420 1.516 6.506 1.00 0.47 C ATOM 743 O4' G A 6 -0.073 0.991 6.412 1.00 0.53 O ATOM 744 C3' G A 6 -1.944 1.373 5.090 1.00 0.39 C ATOM 745 O3' G A 6 -3.008 2.292 4.863 1.00 0.41 O ATOM 746 C2' G A 6 -0.727 1.724 4.243 1.00 0.48 C ATOM 747 O2' G A 6 -0.608 3.113 3.999 1.00 0.59 O ATOM 748 C1' G A 6 0.434 1.237 5.112 1.00 0.49 C ATOM 749 N9 G A 6 1.028 0.002 4.610 1.00 0.50 N ATOM 750 C8 G A 6 0.481 -1.256 4.655 1.00 0.60 C ATOM 751 N7 G A 6 1.252 -2.168 4.128 1.00 0.63 N ATOM 752 C5 G A 6 2.374 -1.468 3.704 1.00 0.54 C ATOM 753 C6 G A 6 3.553 -1.923 3.055 1.00 0.55 C ATOM 754 O6 G A 6 3.848 -3.073 2.714 1.00 0.61 O ATOM 755 N1 G A 6 4.439 -0.879 2.803 1.00 0.55 N ATOM 756 C2 G A 6 4.215 0.435 3.137 1.00 0.57 C ATOM 757 N2 G A 6 5.183 1.305 2.815 1.00 0.70 N ATOM 758 N3 G A 6 3.122 0.870 3.742 1.00 0.53 N ATOM 759 C4 G A 6 2.252 -0.127 3.995 1.00 0.49 C ATOM 0 H5' G A 6 -1.503 0.121 8.130 1.00 0.47 H new ATOM 0 H5'' G A 6 -2.704 1.394 8.217 1.00 0.47 H new ATOM 0 H4' G A 6 -1.498 2.550 6.841 1.00 0.47 H new ATOM 0 H3' G A 6 -2.348 0.385 4.868 1.00 0.39 H new ATOM 0 H2' G A 6 -0.773 1.273 3.252 1.00 0.48 H new ATOM 0 HO2' G A 6 0.104 3.270 3.344 1.00 0.59 H new ATOM 0 H1' G A 6 1.209 2.003 5.106 1.00 0.49 H new ATOM 0 H8 G A 6 -0.488 -1.469 5.082 1.00 0.60 H new ATOM 0 H1 G A 6 5.318 -1.106 2.337 1.00 0.55 H new ATOM 0 H21 G A 6 5.074 2.294 3.037 1.00 0.70 H new ATOM 0 H22 G A 6 6.028 0.977 2.348 1.00 0.70 H new ATOM 771 P A A 7 -3.908 2.155 3.540 1.00 0.43 P ATOM 772 OP1 A A 7 -4.220 3.520 3.045 1.00 0.66 O ATOM 773 OP2 A A 7 -5.015 1.216 3.851 1.00 0.74 O ATOM 774 O5' A A 7 -2.938 1.452 2.491 1.00 0.33 O ATOM 775 C5' A A 7 -3.372 1.191 1.145 1.00 0.29 C ATOM 776 C4' A A 7 -2.449 1.863 0.160 1.00 0.23 C ATOM 777 O4' A A 7 -2.559 3.296 0.311 1.00 0.23 O ATOM 778 C3' A A 7 -0.969 1.608 0.382 1.00 0.25 C ATOM 779 O3' A A 7 -0.582 0.374 -0.214 1.00 0.27 O ATOM 780 C2' A A 7 -0.318 2.795 -0.322 1.00 0.24 C ATOM 781 O2' A A 7 -0.112 2.575 -1.703 1.00 0.25 O ATOM 782 C1' A A 7 -1.356 3.900 -0.122 1.00 0.21 C ATOM 783 N9 A A 7 -0.941 4.883 0.878 1.00 0.24 N ATOM 784 C8 A A 7 -1.433 5.055 2.147 1.00 0.29 C ATOM 785 N7 A A 7 -0.852 6.023 2.812 1.00 0.33 N ATOM 786 C5 A A 7 0.085 6.525 1.921 1.00 0.30 C ATOM 787 C6 A A 7 1.026 7.565 2.022 1.00 0.34 C ATOM 788 N6 A A 7 1.182 8.319 3.112 1.00 0.39 N ATOM 789 N1 A A 7 1.810 7.808 0.949 1.00 0.35 N ATOM 790 C2 A A 7 1.652 7.051 -0.144 1.00 0.32 C ATOM 791 N3 A A 7 0.805 6.046 -0.359 1.00 0.27 N ATOM 792 C4 A A 7 0.042 5.832 0.726 1.00 0.25 C ATOM 0 H5' A A 7 -4.390 1.555 1.007 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.390 0.116 0.963 1.00 0.29 H new ATOM 0 H4' A A 7 -2.755 1.459 -0.805 1.00 0.23 H new ATOM 0 H3' A A 7 -0.686 1.527 1.432 1.00 0.25 H new ATOM 0 H2' A A 7 0.673 3.013 0.076 1.00 0.24 H new ATOM 0 HO2' A A 7 0.306 3.367 -2.102 1.00 0.25 H new ATOM 0 H1' A A 7 -1.479 4.426 -1.069 1.00 0.21 H new ATOM 0 H8 A A 7 -2.226 4.449 2.560 1.00 0.29 H new ATOM 0 H61 A A 7 1.883 9.060 3.124 1.00 0.39 H new ATOM 0 H62 A A 7 0.600 8.155 3.933 1.00 0.39 H new ATOM 0 H2 A A 7 2.305 7.290 -0.970 1.00 0.32 H new ATOM 804 P A A 8 0.439 -0.596 0.558 1.00 0.37 P ATOM 805 OP1 A A 8 0.222 -1.984 0.078 1.00 0.44 O ATOM 806 OP2 A A 8 0.330 -0.296 2.008 1.00 0.47 O ATOM 807 O5' A A 8 1.872 -0.111 0.059 1.00 0.38 O ATOM 808 C5' A A 8 2.054 0.397 -1.276 1.00 0.39 C ATOM 809 C4' A A 8 3.040 1.538 -1.266 1.00 0.43 C ATOM 810 O4' A A 8 2.418 2.685 -0.637 1.00 0.37 O ATOM 811 C3' A A 8 4.277 1.276 -0.423 1.00 0.53 C ATOM 812 O3' A A 8 5.295 0.611 -1.176 1.00 0.66 O ATOM 813 C2' A A 8 4.724 2.678 -0.025 1.00 0.50 C ATOM 814 O2' A A 8 5.544 3.290 -1.000 1.00 0.58 O ATOM 815 C1' A A 8 3.392 3.425 0.077 1.00 0.38 C ATOM 816 N9 A A 8 2.927 3.569 1.455 1.00 0.36 N ATOM 817 C8 A A 8 1.997 2.803 2.111 1.00 0.42 C ATOM 818 N7 A A 8 1.776 3.184 3.346 1.00 0.47 N ATOM 819 C5 A A 8 2.618 4.274 3.515 1.00 0.41 C ATOM 820 C6 A A 8 2.856 5.127 4.607 1.00 0.44 C ATOM 821 N6 A A 8 2.239 5.011 5.784 1.00 0.54 N ATOM 822 N1 A A 8 3.761 6.116 4.445 1.00 0.40 N ATOM 823 C2 A A 8 4.380 6.232 3.263 1.00 0.36 C ATOM 824 N3 A A 8 4.240 5.495 2.163 1.00 0.35 N ATOM 825 C4 A A 8 3.334 4.521 2.358 1.00 0.35 C ATOM 0 H5' A A 8 1.099 0.735 -1.678 1.00 0.39 H new ATOM 0 H5'' A A 8 2.412 -0.398 -1.930 1.00 0.39 H new ATOM 0 H4' A A 8 3.326 1.683 -2.308 1.00 0.43 H new ATOM 0 H3' A A 8 4.079 0.625 0.428 1.00 0.53 H new ATOM 0 H2' A A 8 5.324 2.677 0.885 1.00 0.50 H new ATOM 0 HO2' A A 8 5.088 3.275 -1.867 1.00 0.58 H new ATOM 0 H1' A A 8 3.541 4.425 -0.331 1.00 0.38 H new ATOM 0 H8 A A 8 1.494 1.964 1.653 1.00 0.42 H new ATOM 0 H61 A A 8 2.455 5.662 6.539 1.00 0.54 H new ATOM 0 H62 A A 8 1.551 4.272 5.929 1.00 0.54 H new ATOM 0 H2 A A 8 5.095 7.039 3.192 1.00 0.36 H new ATOM 837 P A A 9 5.303 0.708 -2.782 1.00 1.47 P ATOM 838 OP1 A A 9 5.292 2.147 -3.141 1.00 2.33 O ATOM 839 OP2 A A 9 4.242 -0.189 -3.308 1.00 2.35 O ATOM 840 O5' A A 9 6.719 0.106 -3.193 1.00 1.08 O ATOM 841 C5' A A 9 7.858 0.247 -2.326 1.00 1.04 C ATOM 842 C4' A A 9 8.620 1.502 -2.669 1.00 1.09 C ATOM 843 O4' A A 9 8.030 2.088 -3.854 1.00 1.26 O ATOM 844 C3' A A 9 8.518 2.602 -1.629 1.00 0.99 C ATOM 845 O3' A A 9 9.504 2.433 -0.616 1.00 1.17 O ATOM 846 C2' A A 9 8.778 3.859 -2.447 1.00 1.26 C ATOM 847 O2' A A 9 10.157 4.126 -2.614 1.00 1.57 O ATOM 848 C1' A A 9 8.150 3.497 -3.797 1.00 1.29 C ATOM 849 N9 A A 9 6.810 4.063 -3.964 1.00 0.00 N ATOM 850 C8 A A 9 6.117 4.858 -3.088 1.00 0.00 C ATOM 851 N7 A A 9 4.932 5.211 -3.519 1.00 0.00 N ATOM 852 C5 A A 9 4.835 4.604 -4.763 1.00 0.00 C ATOM 853 C6 A A 9 3.817 4.587 -5.731 1.00 0.00 C ATOM 854 N6 A A 9 2.652 5.225 -5.594 1.00 0.00 N ATOM 855 N1 A A 9 4.039 3.880 -6.860 1.00 0.00 N ATOM 856 C2 A A 9 5.206 3.239 -6.996 1.00 0.00 C ATOM 857 N3 A A 9 6.238 3.181 -6.159 1.00 0.00 N ATOM 858 C4 A A 9 5.986 3.892 -5.049 1.00 0.00 C ATOM 0 H5' A A 9 8.509 -0.621 -2.425 1.00 1.04 H new ATOM 0 H5'' A A 9 7.531 0.284 -1.287 1.00 1.04 H new ATOM 0 H4' A A 9 9.659 1.187 -2.769 1.00 1.09 H new ATOM 0 H3' A A 9 7.563 2.620 -1.104 1.00 0.99 H new ATOM 0 H2' A A 9 8.374 4.754 -1.974 1.00 1.26 H new ATOM 0 HO2' A A 9 10.672 3.604 -1.964 1.00 1.57 H new ATOM 0 H1' A A 9 8.788 3.900 -4.583 1.00 1.29 H new ATOM 0 H8 A A 9 6.512 5.165 -2.131 1.00 0.00 H new ATOM 0 H61 A A 9 1.952 5.174 -6.334 1.00 0.00 H new ATOM 0 H62 A A 9 2.462 5.764 -4.749 1.00 0.00 H new ATOM 0 H2 A A 9 5.327 2.690 -7.918 1.00 0.00 H new ATOM 870 P A A 10 9.151 1.595 0.710 1.00 1.33 P ATOM 871 OP1 A A 10 9.774 0.253 0.590 1.00 2.11 O ATOM 872 OP2 A A 10 7.683 1.706 0.948 1.00 2.10 O ATOM 873 O5' A A 10 9.900 2.387 1.872 1.00 0.79 O ATOM 874 C5' A A 10 9.468 2.262 3.236 1.00 0.59 C ATOM 875 C4' A A 10 9.430 3.617 3.903 1.00 0.54 C ATOM 876 O4' A A 10 8.105 4.170 3.727 1.00 0.50 O ATOM 877 C3' A A 10 9.636 3.567 5.405 1.00 0.50 C ATOM 878 O3' A A 10 11.032 3.647 5.705 1.00 0.61 O ATOM 879 C2' A A 10 8.852 4.774 5.909 1.00 0.50 C ATOM 880 O2' A A 10 9.610 5.968 5.901 1.00 0.61 O ATOM 881 C1' A A 10 7.714 4.872 4.892 1.00 0.48 C ATOM 882 N9 A A 10 6.489 4.236 5.364 1.00 0.45 N ATOM 883 C8 A A 10 5.843 3.186 4.769 1.00 0.45 C ATOM 884 N7 A A 10 4.766 2.800 5.404 1.00 0.51 N ATOM 885 C5 A A 10 4.699 3.656 6.496 1.00 0.54 C ATOM 886 C6 A A 10 3.787 3.764 7.560 1.00 0.64 C ATOM 887 N6 A A 10 2.720 2.976 7.706 1.00 0.72 N ATOM 888 N1 A A 10 4.012 4.725 8.483 1.00 0.69 N ATOM 889 C2 A A 10 5.082 5.517 8.336 1.00 0.66 C ATOM 890 N3 A A 10 6.009 5.512 7.382 1.00 0.58 N ATOM 891 C4 A A 10 5.756 4.547 6.481 1.00 0.51 C ATOM 0 H5' A A 10 10.144 1.601 3.779 1.00 0.59 H new ATOM 0 H5'' A A 10 8.479 1.805 3.270 1.00 0.59 H new ATOM 0 H4' A A 10 10.232 4.199 3.449 1.00 0.54 H new ATOM 0 H3' A A 10 9.294 2.645 5.876 1.00 0.50 H new ATOM 0 H2' A A 10 8.535 4.653 6.945 1.00 0.50 H new ATOM 0 HO2' A A 10 10.121 6.037 6.734 1.00 0.61 H new ATOM 0 H1' A A 10 7.522 5.930 4.716 1.00 0.48 H new ATOM 0 H8 A A 10 6.190 2.719 3.859 1.00 0.45 H new ATOM 0 H61 A A 10 2.095 3.106 8.502 1.00 0.72 H new ATOM 0 H62 A A 10 2.529 2.244 7.022 1.00 0.72 H new ATOM 0 H2 A A 10 5.211 6.267 9.102 1.00 0.66 H new ATOM 903 P A A 11 11.534 4.406 7.033 1.00 0.62 P ATOM 904 OP1 A A 11 11.879 5.804 6.670 1.00 0.77 O ATOM 905 OP2 A A 11 12.556 3.542 7.674 1.00 0.65 O ATOM 906 O5' A A 11 10.256 4.437 7.983 1.00 0.58 O ATOM 907 C5' A A 11 10.211 3.648 9.184 1.00 0.56 C ATOM 908 C4' A A 11 8.829 3.697 9.790 1.00 0.49 C ATOM 909 O4' A A 11 7.856 3.493 8.736 1.00 0.46 O ATOM 910 C3' A A 11 8.560 2.586 10.787 1.00 0.47 C ATOM 911 O3' A A 11 8.987 3.006 12.090 1.00 0.51 O ATOM 912 C2' A A 11 7.049 2.395 10.691 1.00 0.43 C ATOM 913 O2' A A 11 6.327 3.281 11.523 1.00 0.47 O ATOM 914 C1' A A 11 6.764 2.736 9.227 1.00 0.42 C ATOM 915 N9 A A 11 6.642 1.562 8.364 1.00 0.41 N ATOM 916 C8 A A 11 7.587 1.082 7.493 1.00 0.46 C ATOM 917 N7 A A 11 7.200 0.023 6.823 1.00 0.47 N ATOM 918 C5 A A 11 5.913 -0.214 7.286 1.00 0.42 C ATOM 919 C6 A A 11 4.956 -1.196 6.969 1.00 0.43 C ATOM 920 N6 A A 11 5.148 -2.172 6.071 1.00 0.49 N ATOM 921 N1 A A 11 3.772 -1.146 7.615 1.00 0.40 N ATOM 922 C2 A A 11 3.569 -0.176 8.515 1.00 0.37 C ATOM 923 N3 A A 11 4.388 0.802 8.898 1.00 0.37 N ATOM 924 C4 A A 11 5.557 0.727 8.239 1.00 0.39 C ATOM 0 H5' A A 11 10.943 4.021 9.900 1.00 0.56 H new ATOM 0 H5'' A A 11 10.481 2.616 8.960 1.00 0.56 H new ATOM 0 H4' A A 11 8.758 4.662 10.292 1.00 0.49 H new ATOM 0 H3' A A 11 9.093 1.655 10.592 1.00 0.47 H new ATOM 0 H2' A A 11 6.748 1.395 11.004 1.00 0.43 H new ATOM 0 HO2' A A 11 6.252 2.898 12.422 1.00 0.47 H new ATOM 0 H1' A A 11 5.814 3.270 9.205 1.00 0.42 H new ATOM 0 H8 A A 11 8.560 1.534 7.370 1.00 0.46 H new ATOM 0 H61 A A 11 4.409 -2.852 5.891 1.00 0.49 H new ATOM 0 H62 A A 11 6.033 -2.235 5.568 1.00 0.49 H new ATOM 0 H2 A A 11 2.604 -0.188 8.999 1.00 0.37 H new ATOM 936 P G A 12 8.286 2.412 13.416 1.00 0.56 P ATOM 937 OP1 G A 12 6.843 2.209 13.151 1.00 0.65 O ATOM 938 OP2 G A 12 8.699 3.288 14.542 1.00 0.68 O ATOM 939 O5' G A 12 8.993 1.000 13.650 1.00 0.50 O ATOM 940 C5' G A 12 8.482 -0.217 13.060 1.00 0.47 C ATOM 941 C4' G A 12 6.972 -0.218 13.065 1.00 0.42 C ATOM 942 O4' G A 12 6.538 -0.069 11.695 1.00 0.40 O ATOM 943 C3' G A 12 6.324 -1.506 13.540 1.00 0.39 C ATOM 944 O3' G A 12 6.157 -1.458 14.962 1.00 0.43 O ATOM 945 C2' G A 12 4.994 -1.512 12.791 1.00 0.35 C ATOM 946 O2' G A 12 3.981 -0.792 13.469 1.00 0.37 O ATOM 947 C1' G A 12 5.349 -0.799 11.485 1.00 0.35 C ATOM 948 N9 G A 12 5.600 -1.721 10.384 1.00 0.33 N ATOM 949 C8 G A 12 6.723 -1.760 9.593 1.00 0.36 C ATOM 950 N7 G A 12 6.670 -2.685 8.676 1.00 0.36 N ATOM 951 C5 G A 12 5.440 -3.297 8.875 1.00 0.33 C ATOM 952 C6 G A 12 4.829 -4.369 8.181 1.00 0.36 C ATOM 953 O6 G A 12 5.268 -5.013 7.223 1.00 0.40 O ATOM 954 N1 G A 12 3.576 -4.673 8.706 1.00 0.36 N ATOM 955 C2 G A 12 2.992 -4.027 9.767 1.00 0.34 C ATOM 956 N2 G A 12 1.779 -4.470 10.130 1.00 0.37 N ATOM 957 N3 G A 12 3.553 -3.024 10.424 1.00 0.31 N ATOM 958 C4 G A 12 4.767 -2.713 9.927 1.00 0.31 C ATOM 0 H5' G A 12 8.853 -1.079 13.614 1.00 0.47 H new ATOM 0 H5'' G A 12 8.848 -0.313 12.038 1.00 0.47 H new ATOM 0 H4' G A 12 6.680 0.579 13.749 1.00 0.42 H new ATOM 0 H3' G A 12 6.901 -2.410 13.345 1.00 0.39 H new ATOM 0 H2' G A 12 4.595 -2.519 12.672 1.00 0.35 H new ATOM 0 HO2' G A 12 3.314 -1.418 13.821 1.00 0.37 H new ATOM 0 H1' G A 12 4.501 -0.169 11.217 1.00 0.35 H new ATOM 0 H8 G A 12 7.563 -1.093 9.718 1.00 0.36 H new ATOM 0 H1 G A 12 3.053 -5.432 8.270 1.00 0.36 H new ATOM 0 H21 G A 12 1.289 -4.034 10.911 1.00 0.37 H new ATOM 0 H22 G A 12 1.346 -5.243 9.625 1.00 0.37 H new ATOM 970 P G A 13 4.904 -2.191 15.662 1.00 0.51 P ATOM 971 OP1 G A 13 4.076 -2.819 14.605 1.00 0.59 O ATOM 972 OP2 G A 13 4.279 -1.232 16.609 1.00 0.57 O ATOM 973 O5' G A 13 5.569 -3.362 16.513 1.00 0.57 O ATOM 974 C5' G A 13 5.948 -4.602 15.888 1.00 0.62 C ATOM 975 C4' G A 13 4.721 -5.421 15.569 1.00 0.60 C ATOM 976 O4' G A 13 4.245 -5.010 14.264 1.00 0.59 O ATOM 977 C3' G A 13 4.982 -6.911 15.425 1.00 0.59 C ATOM 978 O3' G A 13 4.897 -7.583 16.689 1.00 0.66 O ATOM 979 C2' G A 13 3.902 -7.362 14.448 1.00 0.57 C ATOM 980 O2' G A 13 2.667 -7.686 15.055 1.00 0.63 O ATOM 981 C1' G A 13 3.723 -6.124 13.570 1.00 0.54 C ATOM 982 N9 G A 13 4.455 -6.258 12.318 1.00 0.50 N ATOM 983 C8 G A 13 5.569 -5.561 11.927 1.00 0.54 C ATOM 984 N7 G A 13 6.017 -5.929 10.757 1.00 0.56 N ATOM 985 C5 G A 13 5.138 -6.928 10.355 1.00 0.50 C ATOM 986 C6 G A 13 5.111 -7.706 9.172 1.00 0.53 C ATOM 987 O6 G A 13 5.883 -7.668 8.209 1.00 0.60 O ATOM 988 N1 G A 13 4.046 -8.605 9.172 1.00 0.51 N ATOM 989 C2 G A 13 3.129 -8.733 10.185 1.00 0.48 C ATOM 990 N2 G A 13 2.172 -9.656 10.003 1.00 0.52 N ATOM 991 N3 G A 13 3.145 -8.014 11.292 1.00 0.47 N ATOM 992 C4 G A 13 4.168 -7.137 11.309 1.00 0.47 C ATOM 0 H5' G A 13 6.608 -5.164 16.549 1.00 0.62 H new ATOM 0 H5'' G A 13 6.508 -4.401 14.975 1.00 0.62 H new ATOM 0 H4' G A 13 4.029 -5.258 16.396 1.00 0.60 H new ATOM 0 H3' G A 13 5.985 -7.142 15.067 1.00 0.59 H new ATOM 0 H2' G A 13 4.196 -8.276 13.931 1.00 0.57 H new ATOM 0 HO2' G A 13 2.374 -6.940 15.619 1.00 0.63 H new ATOM 0 H1' G A 13 2.663 -6.002 13.349 1.00 0.54 H new ATOM 0 H8 G A 13 6.028 -4.788 12.525 1.00 0.54 H new ATOM 0 H1 G A 13 3.940 -9.212 8.359 1.00 0.51 H new ATOM 0 H21 G A 13 1.460 -9.800 10.719 1.00 0.52 H new ATOM 0 H22 G A 13 2.157 -10.213 9.149 1.00 0.52 H new ATOM 1004 P G A 14 3.471 -7.799 17.403 1.00 0.74 P ATOM 1005 OP1 G A 14 2.588 -6.672 17.006 1.00 0.80 O ATOM 1006 OP2 G A 14 3.715 -8.062 18.844 1.00 0.90 O ATOM 1007 O5' G A 14 2.908 -9.141 16.749 1.00 0.68 O ATOM 1008 C5' G A 14 1.596 -9.631 17.087 1.00 0.70 C ATOM 1009 C4' G A 14 1.274 -10.882 16.294 1.00 0.68 C ATOM 1010 O4' G A 14 1.318 -10.576 14.877 1.00 0.67 O ATOM 1011 C3' G A 14 2.266 -12.019 16.435 1.00 0.67 C ATOM 1012 O3' G A 14 2.012 -12.784 17.608 1.00 0.77 O ATOM 1013 C2' G A 14 1.997 -12.835 15.176 1.00 0.67 C ATOM 1014 O2' G A 14 0.892 -13.706 15.314 1.00 0.80 O ATOM 1015 C1' G A 14 1.667 -11.746 14.154 1.00 0.61 C ATOM 1016 N9 G A 14 2.810 -11.438 13.302 1.00 0.50 N ATOM 1017 C8 G A 14 3.766 -10.477 13.516 1.00 0.50 C ATOM 1018 N7 G A 14 4.679 -10.445 12.584 1.00 0.47 N ATOM 1019 C5 G A 14 4.302 -11.447 11.701 1.00 0.41 C ATOM 1020 C6 G A 14 4.909 -11.884 10.497 1.00 0.40 C ATOM 1021 O6 G A 14 5.936 -11.456 9.955 1.00 0.45 O ATOM 1022 N1 G A 14 4.198 -12.931 9.909 1.00 0.41 N ATOM 1023 C2 G A 14 3.048 -13.480 10.427 1.00 0.46 C ATOM 1024 N2 G A 14 2.503 -14.482 9.722 1.00 0.55 N ATOM 1025 N3 G A 14 2.474 -13.081 11.549 1.00 0.49 N ATOM 1026 C4 G A 14 3.150 -12.068 12.129 1.00 0.44 C ATOM 0 H5' G A 14 0.851 -8.862 16.883 1.00 0.70 H new ATOM 0 H5'' G A 14 1.546 -9.847 18.154 1.00 0.70 H new ATOM 0 H4' G A 14 0.304 -11.191 16.684 1.00 0.68 H new ATOM 0 H3' G A 14 3.300 -11.689 16.532 1.00 0.67 H new ATOM 0 H2' G A 14 2.836 -13.480 14.915 1.00 0.67 H new ATOM 0 HO2' G A 14 0.762 -14.204 14.480 1.00 0.80 H new ATOM 0 H1' G A 14 0.856 -12.095 13.515 1.00 0.61 H new ATOM 0 H8 G A 14 3.763 -9.815 14.369 1.00 0.50 H new ATOM 0 H1 G A 14 4.556 -13.316 9.035 1.00 0.41 H new ATOM 0 H21 G A 14 1.649 -14.932 10.052 1.00 0.55 H new ATOM 0 H22 G A 14 2.942 -14.794 8.856 1.00 0.55 H new ATOM 1038 P C A 15 3.158 -13.751 18.186 1.00 0.87 P ATOM 1039 OP1 C A 15 2.607 -14.424 19.390 1.00 0.91 O ATOM 1040 OP2 C A 15 4.417 -12.971 18.293 1.00 1.02 O ATOM 1041 O5' C A 15 3.341 -14.848 17.047 1.00 0.85 O ATOM 1042 C5' C A 15 2.279 -15.767 16.737 1.00 0.94 C ATOM 1043 C4' C A 15 2.702 -16.709 15.632 1.00 0.97 C ATOM 1044 O4' C A 15 2.865 -15.967 14.400 1.00 0.84 O ATOM 1045 C3' C A 15 4.063 -17.348 15.832 1.00 1.09 C ATOM 1046 O3' C A 15 3.966 -18.505 16.672 1.00 1.31 O ATOM 1047 C2' C A 15 4.462 -17.736 14.413 1.00 1.09 C ATOM 1048 O2' C A 15 3.973 -19.010 14.034 1.00 1.30 O ATOM 1049 C1' C A 15 3.795 -16.645 13.573 1.00 0.89 C ATOM 1050 N1 C A 15 4.768 -15.671 13.063 1.00 0.75 N ATOM 1051 C2 C A 15 5.537 -16.016 11.947 1.00 0.77 C ATOM 1052 O2 C A 15 5.366 -17.123 11.417 1.00 0.89 O ATOM 1053 N3 C A 15 6.445 -15.141 11.476 1.00 0.70 N ATOM 1054 C4 C A 15 6.603 -13.962 12.070 1.00 0.66 C ATOM 1055 N4 C A 15 7.512 -13.138 11.564 1.00 0.71 N ATOM 1056 C5 C A 15 5.834 -13.578 13.207 1.00 0.64 C ATOM 1057 C6 C A 15 4.934 -14.456 13.668 1.00 0.66 C ATOM 0 H5' C A 15 1.390 -15.215 16.433 1.00 0.94 H new ATOM 0 H5'' C A 15 2.012 -16.337 17.627 1.00 0.94 H new ATOM 0 H4' C A 15 1.923 -17.471 15.620 1.00 0.97 H new ATOM 0 H3' C A 15 4.783 -16.692 16.320 1.00 1.09 H new ATOM 0 H2' C A 15 5.543 -17.807 14.294 1.00 1.09 H new ATOM 0 HO2' C A 15 3.632 -19.478 14.825 1.00 1.30 H new ATOM 0 HO3' C A 15 4.855 -18.902 16.786 1.00 1.31 H new ATOM 0 H1' C A 15 3.312 -17.113 12.715 1.00 0.89 H new ATOM 0 H41 C A 15 7.665 -12.224 11.990 1.00 0.71 H new ATOM 0 H42 C A 15 8.058 -13.419 10.749 1.00 0.71 H new ATOM 0 H5 C A 15 5.972 -12.616 13.678 1.00 0.64 H new ATOM 0 H6 C A 15 4.332 -14.201 14.528 1.00 0.66 H new TER 1069 C A 15