USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 347 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 Set 1.1: A 11 C O2' : rot 147:sc= -0.788 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -2.43 K(o=-3.2,f=-0.8) USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -28:sc= 0.012 USER MOD Single : A 6 G O2' : rot -18:sc= 0.0781 USER MOD Single : A 7 C O2' : rot -121:sc= 0.808 USER MOD Single : A 8 U O2' : rot -12:sc= 0.121 USER MOD Single : A 9 G O2' : rot -170:sc= 1.01 USER MOD Single : A 10 A O2' : rot -64:sc= 0.13 USER MOD Single : A 12 A O2' : rot -18:sc= 0.0312 USER MOD Single : A 13 A O2' : rot -18:sc= 0.00954 USER MOD Single : A 14 A O2' : rot -64:sc= 0.0891 USER MOD Single : A 15 G O2' : rot -18:sc= 0.0866 USER MOD Single : A 16 C O2' : rot -21:sc= 0.039 USER MOD Single : A 17 G O2' : rot -22:sc= 0.0652 USER MOD Single : A 18 C O2' : rot -13:sc= 0.0663 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0698 USER MOD Single : B 1 ASN : amide:sc= -0.372 X(o=-0.37,f=-0.57) USER MOD Single : B 1 ASN N :NH3+ -117:sc= 0.0286 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 146:sc= 0.692 (180deg=0.0793) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -35:sc= -0.0409 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.461 6.835 7.425 1.00 0.00 O ATOM 2 C5' G A 4 10.528 6.032 6.935 1.00 0.00 C ATOM 3 C4' G A 4 11.208 6.676 5.717 1.00 0.00 C ATOM 4 O4' G A 4 12.370 5.886 5.327 1.00 0.00 O ATOM 5 C3' G A 4 10.346 6.708 4.451 1.00 0.00 C ATOM 6 O3' G A 4 9.474 7.845 4.385 1.00 0.00 O ATOM 7 C2' G A 4 11.379 6.682 3.330 1.00 0.00 C ATOM 8 O2' G A 4 11.689 7.945 2.746 1.00 0.00 O ATOM 9 C1' G A 4 12.609 6.020 3.917 1.00 0.00 C ATOM 10 N9 G A 4 12.911 4.715 3.275 1.00 0.00 N ATOM 11 C8 G A 4 12.795 3.484 3.811 1.00 0.00 C ATOM 12 N7 G A 4 13.136 2.501 3.014 1.00 0.00 N ATOM 13 C5 G A 4 13.508 3.122 1.848 1.00 0.00 C ATOM 14 C6 G A 4 13.960 2.543 0.653 1.00 0.00 C ATOM 15 O6 G A 4 14.111 1.332 0.462 1.00 0.00 O ATOM 16 N1 G A 4 14.239 3.536 -0.334 1.00 0.00 N ATOM 17 C2 G A 4 14.098 4.926 -0.172 1.00 0.00 C ATOM 18 N2 G A 4 14.436 5.621 -1.295 1.00 0.00 N ATOM 19 N3 G A 4 13.658 5.442 1.008 1.00 0.00 N ATOM 20 C4 G A 4 13.383 4.507 1.963 1.00 0.00 C ATOM 0 H5' G A 4 10.147 5.048 6.662 1.00 0.00 H new ATOM 0 H5'' G A 4 11.263 5.881 7.725 1.00 0.00 H new ATOM 0 H4' G A 4 11.433 7.692 6.042 1.00 0.00 H new ATOM 0 H3' G A 4 9.647 5.873 4.401 1.00 0.00 H new ATOM 0 H2' G A 4 10.963 6.131 2.487 1.00 0.00 H new ATOM 0 HO2' G A 4 12.359 7.824 2.041 1.00 0.00 H new ATOM 0 HO5' G A 4 9.049 6.396 8.198 1.00 0.00 H new ATOM 0 H1' G A 4 13.493 6.630 3.732 1.00 0.00 H new ATOM 0 H8 G A 4 12.448 3.320 4.820 1.00 0.00 H new ATOM 0 H1 G A 4 14.571 3.207 -1.240 1.00 0.00 H new ATOM 0 H21 G A 4 14.375 6.639 -1.302 1.00 0.00 H new ATOM 0 H22 G A 4 14.749 5.123 -2.128 1.00 0.00 H new ATOM 33 P C A 5 8.123 7.865 3.536 1.00 0.00 P ATOM 34 OP1 C A 5 7.455 9.167 3.771 1.00 0.00 O ATOM 35 OP2 C A 5 7.331 6.659 3.866 1.00 0.00 O ATOM 36 O5' C A 5 8.598 7.759 2.013 1.00 0.00 O ATOM 37 C5' C A 5 8.950 8.888 1.220 1.00 0.00 C ATOM 38 C4' C A 5 9.263 8.554 -0.272 1.00 0.00 C ATOM 39 O4' C A 5 10.540 7.850 -0.472 1.00 0.00 O ATOM 40 C3' C A 5 8.228 7.707 -1.017 1.00 0.00 C ATOM 41 O3' C A 5 7.096 8.477 -1.427 1.00 0.00 O ATOM 42 C2' C A 5 9.046 7.106 -2.173 1.00 0.00 C ATOM 43 O2' C A 5 9.213 7.986 -3.286 1.00 0.00 O ATOM 44 C1' C A 5 10.397 6.829 -1.497 1.00 0.00 C ATOM 45 N1 C A 5 10.536 5.451 -0.919 1.00 0.00 N ATOM 46 C2 C A 5 10.911 4.351 -1.773 1.00 0.00 C ATOM 47 O2 C A 5 11.113 4.487 -2.994 1.00 0.00 O ATOM 48 N3 C A 5 11.046 3.109 -1.196 1.00 0.00 N ATOM 49 C4 C A 5 10.840 2.903 0.129 1.00 0.00 C ATOM 50 N4 C A 5 10.967 1.661 0.669 1.00 0.00 N ATOM 51 C5 C A 5 10.469 4.009 0.979 1.00 0.00 C ATOM 52 C6 C A 5 10.330 5.216 0.419 1.00 0.00 C ATOM 0 H5' C A 5 9.822 9.370 1.662 1.00 0.00 H new ATOM 0 H5'' C A 5 8.134 9.610 1.255 1.00 0.00 H new ATOM 0 H4' C A 5 9.274 9.563 -0.684 1.00 0.00 H new ATOM 0 H3' C A 5 7.768 6.930 -0.406 1.00 0.00 H new ATOM 0 H2' C A 5 8.556 6.235 -2.608 1.00 0.00 H new ATOM 0 HO2' C A 5 8.456 8.607 -3.328 1.00 0.00 H new ATOM 0 H1' C A 5 11.189 6.870 -2.245 1.00 0.00 H new ATOM 0 H41 C A 5 10.809 1.520 1.667 1.00 0.00 H new ATOM 0 H42 C A 5 11.220 0.871 0.076 1.00 0.00 H new ATOM 0 H5 C A 5 10.308 3.866 2.037 1.00 0.00 H new ATOM 0 H6 C A 5 10.042 6.045 1.049 1.00 0.00 H new ATOM 64 P G A 6 5.712 7.799 -1.822 1.00 0.00 P ATOM 65 OP1 G A 6 4.703 8.869 -1.959 1.00 0.00 O ATOM 66 OP2 G A 6 5.395 6.701 -0.875 1.00 0.00 O ATOM 67 O5' G A 6 6.033 7.240 -3.271 1.00 0.00 O ATOM 68 C5' G A 6 5.594 5.971 -3.722 1.00 0.00 C ATOM 69 C4' G A 6 6.429 5.516 -4.936 1.00 0.00 C ATOM 70 O4' G A 6 7.756 5.065 -4.514 1.00 0.00 O ATOM 71 C3' G A 6 5.821 4.315 -5.657 1.00 0.00 C ATOM 72 O3' G A 6 5.009 4.748 -6.754 1.00 0.00 O ATOM 73 C2' G A 6 7.018 3.464 -6.101 1.00 0.00 C ATOM 74 O2' G A 6 7.580 3.869 -7.352 1.00 0.00 O ATOM 75 C1' G A 6 8.019 3.734 -4.975 1.00 0.00 C ATOM 76 N9 G A 6 8.128 2.771 -3.837 1.00 0.00 N ATOM 77 C8 G A 6 7.916 2.997 -2.514 1.00 0.00 C ATOM 78 N7 G A 6 8.144 1.976 -1.728 1.00 0.00 N ATOM 79 C5 G A 6 8.538 0.982 -2.578 1.00 0.00 C ATOM 80 C6 G A 6 8.907 -0.331 -2.264 1.00 0.00 C ATOM 81 O6 G A 6 8.943 -0.808 -1.124 1.00 0.00 O ATOM 82 N1 G A 6 9.249 -1.065 -3.435 1.00 0.00 N ATOM 83 C2 G A 6 9.233 -0.576 -4.757 1.00 0.00 C ATOM 84 N2 G A 6 9.592 -1.510 -5.681 1.00 0.00 N ATOM 85 N3 G A 6 8.871 0.708 -5.012 1.00 0.00 N ATOM 86 C4 G A 6 8.540 1.427 -3.905 1.00 0.00 C ATOM 0 H5' G A 6 4.540 6.019 -3.995 1.00 0.00 H new ATOM 0 H5'' G A 6 5.682 5.241 -2.917 1.00 0.00 H new ATOM 0 H4' G A 6 6.465 6.386 -5.592 1.00 0.00 H new ATOM 0 H3' G A 6 5.155 3.732 -5.021 1.00 0.00 H new ATOM 0 H2' G A 6 6.743 2.421 -6.256 1.00 0.00 H new ATOM 0 HO2' G A 6 6.935 4.426 -7.836 1.00 0.00 H new ATOM 0 H1' G A 6 9.003 3.595 -5.422 1.00 0.00 H new ATOM 0 H8 G A 6 7.583 3.953 -2.137 1.00 0.00 H new ATOM 0 H1 G A 6 9.532 -2.036 -3.305 1.00 0.00 H new ATOM 0 H21 G A 6 9.615 -1.265 -6.671 1.00 0.00 H new ATOM 0 H22 G A 6 9.838 -2.454 -5.383 1.00 0.00 H new ATOM 98 P C A 7 3.629 4.045 -7.086 1.00 0.00 P ATOM 99 OP1 C A 7 3.106 4.595 -8.358 1.00 0.00 O ATOM 100 OP2 C A 7 2.740 4.133 -5.904 1.00 0.00 O ATOM 101 O5' C A 7 4.064 2.542 -7.279 1.00 0.00 O ATOM 102 C5' C A 7 4.691 2.010 -8.441 1.00 0.00 C ATOM 103 C4' C A 7 4.892 0.472 -8.339 1.00 0.00 C ATOM 104 O4' C A 7 6.013 0.107 -7.465 1.00 0.00 O ATOM 105 C3' C A 7 3.688 -0.245 -7.733 1.00 0.00 C ATOM 106 O3' C A 7 2.700 -0.447 -8.742 1.00 0.00 O ATOM 107 C2' C A 7 4.267 -1.493 -7.082 1.00 0.00 C ATOM 108 O2' C A 7 4.273 -2.646 -7.924 1.00 0.00 O ATOM 109 C1' C A 7 5.715 -1.114 -6.746 1.00 0.00 C ATOM 110 N1 C A 7 5.836 -0.957 -5.274 1.00 0.00 N ATOM 111 C2 C A 7 6.144 -2.102 -4.446 1.00 0.00 C ATOM 112 O2 C A 7 6.391 -3.225 -4.924 1.00 0.00 O ATOM 113 N3 C A 7 6.158 -1.927 -3.079 1.00 0.00 N ATOM 114 C4 C A 7 5.892 -0.720 -2.512 1.00 0.00 C ATOM 115 N4 C A 7 5.890 -0.574 -1.154 1.00 0.00 N ATOM 116 C5 C A 7 5.595 0.405 -3.376 1.00 0.00 C ATOM 117 C6 C A 7 5.582 0.246 -4.681 1.00 0.00 C ATOM 0 H5' C A 7 5.657 2.493 -8.586 1.00 0.00 H new ATOM 0 H5'' C A 7 4.085 2.240 -9.318 1.00 0.00 H new ATOM 0 H4' C A 7 5.064 0.170 -9.372 1.00 0.00 H new ATOM 0 H3' C A 7 3.149 0.312 -6.967 1.00 0.00 H new ATOM 0 H2' C A 7 3.656 -1.772 -6.223 1.00 0.00 H new ATOM 0 HO2' C A 7 3.751 -3.361 -7.503 1.00 0.00 H new ATOM 0 H1' C A 7 6.431 -1.879 -7.046 1.00 0.00 H new ATOM 0 H41 C A 7 5.689 0.336 -0.739 1.00 0.00 H new ATOM 0 H42 C A 7 6.089 -1.375 -0.555 1.00 0.00 H new ATOM 0 H5 C A 7 5.384 1.374 -2.948 1.00 0.00 H new ATOM 0 H6 C A 7 5.362 1.098 -5.307 1.00 0.00 H new ATOM 129 P U A 8 1.203 -0.895 -8.536 1.00 0.00 P ATOM 130 OP1 U A 8 0.463 -0.619 -9.788 1.00 0.00 O ATOM 131 OP2 U A 8 0.670 -0.281 -7.299 1.00 0.00 O ATOM 132 O5' U A 8 1.371 -2.470 -8.399 1.00 0.00 O ATOM 133 C5' U A 8 0.895 -3.183 -7.276 1.00 0.00 C ATOM 134 C4' U A 8 1.387 -4.650 -7.266 1.00 0.00 C ATOM 135 O4' U A 8 2.751 -4.799 -6.752 1.00 0.00 O ATOM 136 C3' U A 8 0.524 -5.508 -6.356 1.00 0.00 C ATOM 137 O3' U A 8 -0.473 -6.170 -7.137 1.00 0.00 O ATOM 138 C2' U A 8 1.481 -6.508 -5.698 1.00 0.00 C ATOM 139 O2' U A 8 1.668 -7.728 -6.420 1.00 0.00 O ATOM 140 C1' U A 8 2.798 -5.725 -5.645 1.00 0.00 C ATOM 141 N1 U A 8 3.085 -5.043 -4.333 1.00 0.00 N ATOM 142 C2 U A 8 3.353 -5.858 -3.172 1.00 0.00 C ATOM 143 O2 U A 8 3.374 -7.096 -3.160 1.00 0.00 O ATOM 144 N3 U A 8 3.606 -5.126 -1.987 1.00 0.00 N ATOM 145 C4 U A 8 3.617 -3.711 -1.853 1.00 0.00 C ATOM 146 O4 U A 8 3.847 -3.164 -0.772 1.00 0.00 O ATOM 147 C5 U A 8 3.338 -2.991 -3.081 1.00 0.00 C ATOM 148 C6 U A 8 3.093 -3.659 -4.225 1.00 0.00 C ATOM 0 H5' U A 8 -0.195 -3.167 -7.272 1.00 0.00 H new ATOM 0 H5'' U A 8 1.224 -2.684 -6.364 1.00 0.00 H new ATOM 0 H4' U A 8 1.337 -4.962 -8.309 1.00 0.00 H new ATOM 0 H3' U A 8 0.001 -4.925 -5.598 1.00 0.00 H new ATOM 0 H2' U A 8 1.090 -6.840 -4.736 1.00 0.00 H new ATOM 0 HO2' U A 8 0.991 -7.798 -7.125 1.00 0.00 H new ATOM 0 H1' U A 8 3.633 -6.420 -5.728 1.00 0.00 H new ATOM 0 H3 U A 8 3.800 -5.668 -1.145 1.00 0.00 H new ATOM 0 H5 U A 8 3.327 -1.911 -3.078 1.00 0.00 H new ATOM 0 H6 U A 8 2.890 -3.081 -5.115 1.00 0.00 H new ATOM 159 P G A 9 -2.000 -6.281 -6.779 1.00 0.00 P ATOM 160 OP1 G A 9 -2.633 -7.247 -7.708 1.00 0.00 O ATOM 161 OP2 G A 9 -2.578 -4.923 -6.748 1.00 0.00 O ATOM 162 O5' G A 9 -1.974 -6.871 -5.310 1.00 0.00 O ATOM 163 C5' G A 9 -1.739 -8.251 -5.039 1.00 0.00 C ATOM 164 C4' G A 9 -1.733 -8.564 -3.521 1.00 0.00 C ATOM 165 O4' G A 9 -0.504 -8.097 -2.866 1.00 0.00 O ATOM 166 C3' G A 9 -2.869 -7.892 -2.744 1.00 0.00 C ATOM 167 O3' G A 9 -4.068 -8.659 -2.806 1.00 0.00 O ATOM 168 C2' G A 9 -2.308 -7.740 -1.335 1.00 0.00 C ATOM 169 O2' G A 9 -2.497 -8.914 -0.546 1.00 0.00 O ATOM 170 C1' G A 9 -0.802 -7.504 -1.585 1.00 0.00 C ATOM 171 N9 G A 9 -0.346 -6.072 -1.580 1.00 0.00 N ATOM 172 C8 G A 9 -0.149 -5.226 -2.638 1.00 0.00 C ATOM 173 N7 G A 9 0.235 -4.018 -2.320 1.00 0.00 N ATOM 174 C5 G A 9 0.310 -4.034 -0.959 1.00 0.00 C ATOM 175 C6 G A 9 0.677 -2.987 -0.108 1.00 0.00 C ATOM 176 O6 G A 9 0.994 -1.856 -0.482 1.00 0.00 O ATOM 177 N1 G A 9 0.637 -3.388 1.254 1.00 0.00 N ATOM 178 C2 G A 9 0.281 -4.663 1.729 1.00 0.00 C ATOM 179 N2 G A 9 0.345 -4.765 3.082 1.00 0.00 N ATOM 180 N3 G A 9 -0.071 -5.655 0.864 1.00 0.00 N ATOM 181 C4 G A 9 -0.039 -5.288 -0.447 1.00 0.00 C ATOM 0 H5' G A 9 -0.783 -8.545 -5.471 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.508 -8.850 -5.527 1.00 0.00 H new ATOM 0 H4' G A 9 -1.836 -9.649 -3.491 1.00 0.00 H new ATOM 0 H3' G A 9 -3.164 -6.927 -3.155 1.00 0.00 H new ATOM 0 H2' G A 9 -2.801 -6.941 -0.781 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.270 -8.721 0.388 1.00 0.00 H new ATOM 0 H1' G A 9 -0.265 -7.954 -0.750 1.00 0.00 H new ATOM 0 H8 G A 9 -0.300 -5.535 -3.662 1.00 0.00 H new ATOM 0 H1 G A 9 0.889 -2.687 1.951 1.00 0.00 H new ATOM 0 H21 G A 9 0.108 -5.646 3.539 1.00 0.00 H new ATOM 0 H22 G A 9 0.630 -3.961 3.641 1.00 0.00 H new ATOM 193 P A A 10 -5.361 -8.259 -3.627 1.00 0.00 P ATOM 194 OP1 A A 10 -5.600 -9.297 -4.655 1.00 0.00 O ATOM 195 OP2 A A 10 -5.277 -6.853 -4.099 1.00 0.00 O ATOM 196 O5' A A 10 -6.450 -8.420 -2.486 1.00 0.00 O ATOM 197 C5' A A 10 -7.336 -7.395 -2.055 1.00 0.00 C ATOM 198 C4' A A 10 -7.005 -6.844 -0.647 1.00 0.00 C ATOM 199 O4' A A 10 -6.945 -7.916 0.333 1.00 0.00 O ATOM 200 C3' A A 10 -5.661 -6.109 -0.518 1.00 0.00 C ATOM 201 O3' A A 10 -5.845 -4.696 -0.638 1.00 0.00 O ATOM 202 C2' A A 10 -5.083 -6.571 0.838 1.00 0.00 C ATOM 203 O2' A A 10 -4.800 -5.514 1.746 1.00 0.00 O ATOM 204 C1' A A 10 -6.148 -7.497 1.435 1.00 0.00 C ATOM 205 N9 A A 10 -5.570 -8.724 2.036 1.00 0.00 N ATOM 206 C8 A A 10 -4.886 -9.743 1.440 1.00 0.00 C ATOM 207 N7 A A 10 -4.512 -10.699 2.260 1.00 0.00 N ATOM 208 C5 A A 10 -4.976 -10.288 3.485 1.00 0.00 C ATOM 209 C6 A A 10 -4.879 -10.903 4.752 1.00 0.00 C ATOM 210 N6 A A 10 -4.239 -12.107 4.875 1.00 0.00 N ATOM 211 N1 A A 10 -5.468 -10.200 5.781 1.00 0.00 N ATOM 212 C2 A A 10 -6.070 -9.030 5.526 1.00 0.00 C ATOM 213 N3 A A 10 -6.211 -8.383 4.387 1.00 0.00 N ATOM 214 C4 A A 10 -5.634 -9.072 3.381 1.00 0.00 C ATOM 0 H5' A A 10 -8.355 -7.783 -2.054 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.307 -6.575 -2.773 1.00 0.00 H new ATOM 0 H4' A A 10 -7.814 -6.135 -0.472 1.00 0.00 H new ATOM 0 H3' A A 10 -4.956 -6.346 -1.315 1.00 0.00 H new ATOM 0 H2' A A 10 -4.121 -7.055 0.672 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.097 -4.942 1.373 1.00 0.00 H new ATOM 0 H1' A A 10 -6.689 -6.964 2.217 1.00 0.00 H new ATOM 0 H8 A A 10 -4.670 -9.762 0.382 1.00 0.00 H new ATOM 0 H61 A A 10 -4.166 -12.555 5.788 1.00 0.00 H new ATOM 0 H62 A A 10 -3.835 -12.556 4.053 1.00 0.00 H new ATOM 0 H2 A A 10 -6.506 -8.543 6.386 1.00 0.00 H new ATOM 226 P C A 11 -4.953 -3.843 -1.658 1.00 0.00 P ATOM 227 OP1 C A 11 -5.754 -3.541 -2.867 1.00 0.00 O ATOM 228 OP2 C A 11 -3.637 -4.490 -1.872 1.00 0.00 O ATOM 229 O5' C A 11 -4.681 -2.507 -0.851 1.00 0.00 O ATOM 230 C5' C A 11 -5.736 -1.607 -0.533 1.00 0.00 C ATOM 231 C4' C A 11 -5.498 -0.910 0.819 1.00 0.00 C ATOM 232 O4' C A 11 -6.681 -0.131 1.168 1.00 0.00 O ATOM 233 C3' C A 11 -5.318 -1.874 1.998 1.00 0.00 C ATOM 234 O3' C A 11 -4.017 -1.708 2.544 1.00 0.00 O ATOM 235 C2' C A 11 -6.434 -1.545 2.994 1.00 0.00 C ATOM 236 O2' C A 11 -6.086 -1.636 4.371 1.00 0.00 O ATOM 237 C1' C A 11 -6.902 -0.152 2.584 1.00 0.00 C ATOM 238 N1 C A 11 -8.356 0.007 2.939 1.00 0.00 N ATOM 239 C2 C A 11 -8.742 0.479 4.256 1.00 0.00 C ATOM 240 O2 C A 11 -7.903 0.795 5.124 1.00 0.00 O ATOM 241 N3 C A 11 -10.093 0.571 4.540 1.00 0.00 N ATOM 242 C4 C A 11 -11.042 0.235 3.623 1.00 0.00 C ATOM 243 N4 C A 11 -12.376 0.310 3.906 1.00 0.00 N ATOM 244 C5 C A 11 -10.639 -0.229 2.314 1.00 0.00 C ATOM 245 C6 C A 11 -9.344 -0.323 2.036 1.00 0.00 C ATOM 0 H5' C A 11 -6.681 -2.150 -0.502 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.825 -0.857 -1.319 1.00 0.00 H new ATOM 0 H4' C A 11 -4.590 -0.324 0.680 1.00 0.00 H new ATOM 0 H3' C A 11 -5.394 -2.922 1.708 1.00 0.00 H new ATOM 0 H2' C A 11 -7.222 -2.295 2.937 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.588 -0.966 4.880 1.00 0.00 H new ATOM 0 H1' C A 11 -6.381 0.666 3.082 1.00 0.00 H new ATOM 0 H41 C A 11 -13.063 0.051 3.198 1.00 0.00 H new ATOM 0 H42 C A 11 -12.685 0.625 4.826 1.00 0.00 H new ATOM 0 H5 C A 11 -11.380 -0.495 1.574 1.00 0.00 H new ATOM 0 H6 C A 11 -9.051 -0.674 1.058 1.00 0.00 H new ATOM 257 P A A 12 -2.770 -2.673 2.488 1.00 0.00 P ATOM 258 OP1 A A 12 -1.591 -1.911 2.962 1.00 0.00 O ATOM 259 OP2 A A 12 -2.666 -3.279 1.142 1.00 0.00 O ATOM 260 O5' A A 12 -3.100 -3.819 3.534 1.00 0.00 O ATOM 261 C5' A A 12 -3.352 -3.542 4.908 1.00 0.00 C ATOM 262 C4' A A 12 -3.154 -4.760 5.832 1.00 0.00 C ATOM 263 O4' A A 12 -3.668 -5.986 5.216 1.00 0.00 O ATOM 264 C3' A A 12 -1.699 -5.091 6.157 1.00 0.00 C ATOM 265 O3' A A 12 -1.163 -4.252 7.184 1.00 0.00 O ATOM 266 C2' A A 12 -1.784 -6.563 6.559 1.00 0.00 C ATOM 267 O2' A A 12 -2.112 -6.789 7.929 1.00 0.00 O ATOM 268 C1' A A 12 -2.870 -7.105 5.621 1.00 0.00 C ATOM 269 N9 A A 12 -2.372 -7.895 4.445 1.00 0.00 N ATOM 270 C8 A A 12 -2.331 -7.591 3.104 1.00 0.00 C ATOM 271 N7 A A 12 -1.864 -8.546 2.347 1.00 0.00 N ATOM 272 C5 A A 12 -1.563 -9.561 3.208 1.00 0.00 C ATOM 273 C6 A A 12 -1.030 -10.835 2.939 1.00 0.00 C ATOM 274 N6 A A 12 -0.774 -11.190 1.641 1.00 0.00 N ATOM 275 N1 A A 12 -0.838 -11.628 4.044 1.00 0.00 N ATOM 276 C2 A A 12 -1.157 -11.168 5.259 1.00 0.00 C ATOM 277 N3 A A 12 -1.667 -9.989 5.610 1.00 0.00 N ATOM 278 C4 A A 12 -1.854 -9.206 4.516 1.00 0.00 C ATOM 0 H5' A A 12 -4.374 -3.178 5.015 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.692 -2.738 5.234 1.00 0.00 H new ATOM 0 H4' A A 12 -3.685 -4.465 6.737 1.00 0.00 H new ATOM 0 H3' A A 12 -1.014 -4.918 5.327 1.00 0.00 H new ATOM 0 H2' A A 12 -0.817 -7.058 6.465 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.946 -5.972 8.444 1.00 0.00 H new ATOM 0 H1' A A 12 -3.455 -7.842 6.171 1.00 0.00 H new ATOM 0 H8 A A 12 -2.658 -6.640 2.710 1.00 0.00 H new ATOM 0 H61 A A 12 -0.388 -12.110 1.431 1.00 0.00 H new ATOM 0 H62 A A 12 -0.970 -10.534 0.885 1.00 0.00 H new ATOM 0 H2 A A 12 -0.974 -11.853 6.074 1.00 0.00 H new ATOM 290 P A A 13 0.344 -3.739 7.166 1.00 0.00 P ATOM 291 OP1 A A 13 0.518 -2.753 8.259 1.00 0.00 O ATOM 292 OP2 A A 13 0.692 -3.281 5.805 1.00 0.00 O ATOM 293 O5' A A 13 1.200 -5.044 7.473 1.00 0.00 O ATOM 294 C5' A A 13 1.241 -5.630 8.771 1.00 0.00 C ATOM 295 C4' A A 13 1.717 -7.103 8.756 1.00 0.00 C ATOM 296 O4' A A 13 0.842 -7.944 7.923 1.00 0.00 O ATOM 297 C3' A A 13 3.111 -7.347 8.170 1.00 0.00 C ATOM 298 O3' A A 13 4.183 -7.081 9.077 1.00 0.00 O ATOM 299 C2' A A 13 3.031 -8.824 7.770 1.00 0.00 C ATOM 300 O2' A A 13 3.185 -9.738 8.860 1.00 0.00 O ATOM 301 C1' A A 13 1.623 -8.901 7.175 1.00 0.00 C ATOM 302 N9 A A 13 1.563 -8.668 5.688 1.00 0.00 N ATOM 303 C8 A A 13 1.169 -7.559 4.996 1.00 0.00 C ATOM 304 N7 A A 13 1.218 -7.666 3.695 1.00 0.00 N ATOM 305 C5 A A 13 1.678 -8.929 3.475 1.00 0.00 C ATOM 306 C6 A A 13 1.928 -9.588 2.257 1.00 0.00 C ATOM 307 N6 A A 13 1.691 -8.939 1.073 1.00 0.00 N ATOM 308 N1 A A 13 2.396 -10.873 2.384 1.00 0.00 N ATOM 309 C2 A A 13 2.578 -11.403 3.598 1.00 0.00 C ATOM 310 N3 A A 13 2.370 -10.862 4.802 1.00 0.00 N ATOM 311 C4 A A 13 1.909 -9.592 4.675 1.00 0.00 C ATOM 0 H5' A A 13 0.248 -5.580 9.218 1.00 0.00 H new ATOM 0 H5'' A A 13 1.906 -5.046 9.406 1.00 0.00 H new ATOM 0 H4' A A 13 1.708 -7.353 9.817 1.00 0.00 H new ATOM 0 H3' A A 13 3.342 -6.673 7.346 1.00 0.00 H new ATOM 0 H2' A A 13 3.838 -9.116 7.097 1.00 0.00 H new ATOM 0 HO2' A A 13 3.596 -9.275 9.620 1.00 0.00 H new ATOM 0 H1' A A 13 1.228 -9.912 7.269 1.00 0.00 H new ATOM 0 H8 A A 13 0.840 -6.657 5.490 1.00 0.00 H new ATOM 0 H61 A A 13 1.871 -9.412 0.187 1.00 0.00 H new ATOM 0 H62 A A 13 1.335 -7.983 1.078 1.00 0.00 H new ATOM 0 H2 A A 13 2.948 -12.418 3.607 1.00 0.00 H new ATOM 323 P A A 14 5.558 -6.451 8.560 1.00 0.00 P ATOM 324 OP1 A A 14 6.498 -6.379 9.704 1.00 0.00 O ATOM 325 OP2 A A 14 5.273 -5.176 7.860 1.00 0.00 O ATOM 326 O5' A A 14 6.104 -7.495 7.487 1.00 0.00 O ATOM 327 C5' A A 14 6.563 -8.791 7.852 1.00 0.00 C ATOM 328 C4' A A 14 6.789 -9.750 6.651 1.00 0.00 C ATOM 329 O4' A A 14 5.560 -9.981 5.877 1.00 0.00 O ATOM 330 C3' A A 14 7.810 -9.259 5.629 1.00 0.00 C ATOM 331 O3' A A 14 9.140 -9.599 6.035 1.00 0.00 O ATOM 332 C2' A A 14 7.331 -9.910 4.321 1.00 0.00 C ATOM 333 O2' A A 14 7.824 -11.236 4.133 1.00 0.00 O ATOM 334 C1' A A 14 5.805 -9.884 4.464 1.00 0.00 C ATOM 335 N9 A A 14 5.163 -8.649 3.887 1.00 0.00 N ATOM 336 C8 A A 14 4.658 -7.563 4.543 1.00 0.00 C ATOM 337 N7 A A 14 4.184 -6.616 3.778 1.00 0.00 N ATOM 338 C5 A A 14 4.374 -7.083 2.508 1.00 0.00 C ATOM 339 C6 A A 14 4.053 -6.483 1.277 1.00 0.00 C ATOM 340 N6 A A 14 3.462 -5.253 1.269 1.00 0.00 N ATOM 341 N1 A A 14 4.375 -7.218 0.166 1.00 0.00 N ATOM 342 C2 A A 14 4.952 -8.416 0.308 1.00 0.00 C ATOM 343 N3 A A 14 5.295 -9.070 1.423 1.00 0.00 N ATOM 344 C4 A A 14 4.974 -8.337 2.520 1.00 0.00 C ATOM 0 H5' A A 14 5.840 -9.242 8.531 1.00 0.00 H new ATOM 0 H5'' A A 14 7.498 -8.691 8.403 1.00 0.00 H new ATOM 0 H4' A A 14 7.150 -10.655 7.140 1.00 0.00 H new ATOM 0 H3' A A 14 7.867 -8.176 5.516 1.00 0.00 H new ATOM 0 H2' A A 14 7.698 -9.381 3.441 1.00 0.00 H new ATOM 0 HO2' A A 14 8.799 -11.212 4.041 1.00 0.00 H new ATOM 0 H1' A A 14 5.360 -10.703 3.899 1.00 0.00 H new ATOM 0 H8 A A 14 4.651 -7.492 5.621 1.00 0.00 H new ATOM 0 H61 A A 14 3.224 -4.807 0.383 1.00 0.00 H new ATOM 0 H62 A A 14 3.258 -4.780 2.149 1.00 0.00 H new ATOM 0 H2 A A 14 5.174 -8.932 -0.615 1.00 0.00 H new ATOM 356 P G A 15 10.429 -8.947 5.377 1.00 0.00 P ATOM 357 OP1 G A 15 11.602 -9.283 6.215 1.00 0.00 O ATOM 358 OP2 G A 15 10.183 -7.506 5.115 1.00 0.00 O ATOM 359 O5' G A 15 10.522 -9.782 4.029 1.00 0.00 O ATOM 360 C5' G A 15 10.923 -9.197 2.803 1.00 0.00 C ATOM 361 C4' G A 15 10.308 -9.953 1.605 1.00 0.00 C ATOM 362 O4' G A 15 8.867 -9.721 1.495 1.00 0.00 O ATOM 363 C3' G A 15 10.897 -9.478 0.281 1.00 0.00 C ATOM 364 O3' G A 15 11.947 -10.358 -0.124 1.00 0.00 O ATOM 365 C2' G A 15 9.711 -9.457 -0.687 1.00 0.00 C ATOM 366 O2' G A 15 9.509 -10.676 -1.407 1.00 0.00 O ATOM 367 C1' G A 15 8.525 -9.161 0.225 1.00 0.00 C ATOM 368 N9 G A 15 8.104 -7.727 0.397 1.00 0.00 N ATOM 369 C8 G A 15 8.016 -7.018 1.554 1.00 0.00 C ATOM 370 N7 G A 15 7.614 -5.776 1.420 1.00 0.00 N ATOM 371 C5 G A 15 7.411 -5.626 0.074 1.00 0.00 C ATOM 372 C6 G A 15 6.976 -4.485 -0.626 1.00 0.00 C ATOM 373 O6 G A 15 6.699 -3.386 -0.125 1.00 0.00 O ATOM 374 N1 G A 15 6.893 -4.743 -2.025 1.00 0.00 N ATOM 375 C2 G A 15 7.196 -5.961 -2.665 1.00 0.00 C ATOM 376 N2 G A 15 7.024 -5.915 -4.014 1.00 0.00 N ATOM 377 N3 G A 15 7.613 -7.036 -1.946 1.00 0.00 N ATOM 378 C4 G A 15 7.702 -6.817 -0.607 1.00 0.00 C ATOM 0 H5' G A 15 12.010 -9.210 2.727 1.00 0.00 H new ATOM 0 H5'' G A 15 10.615 -8.152 2.776 1.00 0.00 H new ATOM 0 H4' G A 15 10.527 -11.005 1.789 1.00 0.00 H new ATOM 0 H3' G A 15 11.357 -8.491 0.332 1.00 0.00 H new ATOM 0 H2' G A 15 9.868 -8.725 -1.479 1.00 0.00 H new ATOM 0 HO2' G A 15 10.326 -11.217 -1.371 1.00 0.00 H new ATOM 0 H1' G A 15 7.650 -9.597 -0.256 1.00 0.00 H new ATOM 0 H8 G A 15 8.260 -7.447 2.515 1.00 0.00 H new ATOM 0 H1 G A 15 6.585 -3.973 -2.619 1.00 0.00 H new ATOM 0 H21 G A 15 7.214 -6.741 -4.581 1.00 0.00 H new ATOM 0 H22 G A 15 6.705 -5.054 -4.458 1.00 0.00 H new ATOM 390 P C A 16 13.369 -9.847 -0.599 1.00 0.00 P ATOM 391 OP1 C A 16 14.234 -11.023 -0.852 1.00 0.00 O ATOM 392 OP2 C A 16 13.879 -8.840 0.361 1.00 0.00 O ATOM 393 O5' C A 16 13.037 -9.117 -1.962 1.00 0.00 O ATOM 394 C5' C A 16 12.672 -9.823 -3.144 1.00 0.00 C ATOM 395 C4' C A 16 12.190 -8.872 -4.267 1.00 0.00 C ATOM 396 O4' C A 16 10.894 -8.255 -3.944 1.00 0.00 O ATOM 397 C3' C A 16 13.125 -7.687 -4.527 1.00 0.00 C ATOM 398 O3' C A 16 14.229 -8.065 -5.355 1.00 0.00 O ATOM 399 C2' C A 16 12.190 -6.634 -5.119 1.00 0.00 C ATOM 400 O2' C A 16 11.988 -6.788 -6.523 1.00 0.00 O ATOM 401 C1' C A 16 10.894 -6.858 -4.311 1.00 0.00 C ATOM 402 N1 C A 16 10.690 -5.957 -3.107 1.00 0.00 N ATOM 403 C2 C A 16 10.267 -4.595 -3.340 1.00 0.00 C ATOM 404 O2 C A 16 10.065 -4.141 -4.482 1.00 0.00 O ATOM 405 N3 C A 16 10.081 -3.774 -2.249 1.00 0.00 N ATOM 406 C4 C A 16 10.282 -4.202 -0.978 1.00 0.00 C ATOM 407 N4 C A 16 10.091 -3.372 0.089 1.00 0.00 N ATOM 408 C5 C A 16 10.704 -5.559 -0.737 1.00 0.00 C ATOM 409 C6 C A 16 10.889 -6.372 -1.789 1.00 0.00 C ATOM 0 H5' C A 16 11.882 -10.536 -2.910 1.00 0.00 H new ATOM 0 H5'' C A 16 13.526 -10.399 -3.500 1.00 0.00 H new ATOM 0 H4' C A 16 12.144 -9.524 -5.140 1.00 0.00 H new ATOM 0 H3' C A 16 13.627 -7.299 -3.641 1.00 0.00 H new ATOM 0 H2' C A 16 12.586 -5.622 -5.041 1.00 0.00 H new ATOM 0 HO2' C A 16 12.727 -7.307 -6.905 1.00 0.00 H new ATOM 0 H1' C A 16 10.047 -6.584 -4.940 1.00 0.00 H new ATOM 0 H41 C A 16 10.248 -3.715 1.037 1.00 0.00 H new ATOM 0 H42 C A 16 9.791 -2.409 -0.061 1.00 0.00 H new ATOM 0 H5 C A 16 10.868 -5.914 0.270 1.00 0.00 H new ATOM 0 H6 C A 16 11.205 -7.389 -1.608 1.00 0.00 H new ATOM 421 P G A 17 15.539 -7.180 -5.508 1.00 0.00 P ATOM 422 OP1 G A 17 16.600 -8.021 -6.107 1.00 0.00 O ATOM 423 OP2 G A 17 15.854 -6.524 -4.214 1.00 0.00 O ATOM 424 O5' G A 17 15.066 -6.116 -6.596 1.00 0.00 O ATOM 425 C5' G A 17 15.653 -4.822 -6.629 1.00 0.00 C ATOM 426 C4' G A 17 14.889 -3.891 -7.593 1.00 0.00 C ATOM 427 O4' G A 17 13.489 -3.726 -7.172 1.00 0.00 O ATOM 428 C3' G A 17 15.469 -2.469 -7.605 1.00 0.00 C ATOM 429 O3' G A 17 16.445 -2.311 -8.639 1.00 0.00 O ATOM 430 C2' G A 17 14.247 -1.565 -7.793 1.00 0.00 C ATOM 431 O2' G A 17 13.858 -1.411 -9.160 1.00 0.00 O ATOM 432 C1' G A 17 13.172 -2.335 -7.005 1.00 0.00 C ATOM 433 N9 G A 17 12.950 -2.015 -5.554 1.00 0.00 N ATOM 434 C8 G A 17 13.011 -2.843 -4.463 1.00 0.00 C ATOM 435 N7 G A 17 12.745 -2.270 -3.321 1.00 0.00 N ATOM 436 C5 G A 17 12.484 -0.972 -3.642 1.00 0.00 C ATOM 437 C6 G A 17 12.141 0.071 -2.781 1.00 0.00 C ATOM 438 O6 G A 17 12.016 -0.029 -1.557 1.00 0.00 O ATOM 439 N1 G A 17 11.945 1.285 -3.491 1.00 0.00 N ATOM 440 C2 G A 17 12.068 1.464 -4.883 1.00 0.00 C ATOM 441 N2 G A 17 11.819 2.743 -5.280 1.00 0.00 N ATOM 442 N3 G A 17 12.405 0.417 -5.684 1.00 0.00 N ATOM 443 C4 G A 17 12.597 -0.758 -5.019 1.00 0.00 C ATOM 0 H5' G A 17 16.694 -4.899 -6.942 1.00 0.00 H new ATOM 0 H5'' G A 17 15.652 -4.393 -5.627 1.00 0.00 H new ATOM 0 H4' G A 17 14.974 -4.362 -8.572 1.00 0.00 H new ATOM 0 H3' G A 17 16.008 -2.223 -6.690 1.00 0.00 H new ATOM 0 H2' G A 17 14.426 -0.543 -7.459 1.00 0.00 H new ATOM 0 HO2' G A 17 14.620 -1.613 -9.742 1.00 0.00 H new ATOM 0 H1' G A 17 12.216 -2.019 -7.423 1.00 0.00 H new ATOM 0 H8 G A 17 13.260 -3.891 -4.543 1.00 0.00 H new ATOM 0 H1 G A 17 11.691 2.106 -2.941 1.00 0.00 H new ATOM 0 H21 G A 17 11.878 2.991 -6.268 1.00 0.00 H new ATOM 0 H22 G A 17 11.573 3.453 -4.590 1.00 0.00 H new ATOM 455 P C A 18 17.833 -1.577 -8.399 1.00 0.00 P ATOM 456 OP1 C A 18 18.607 -1.609 -9.662 1.00 0.00 O ATOM 457 OP2 C A 18 18.491 -2.155 -7.204 1.00 0.00 O ATOM 458 O5' C A 18 17.411 -0.086 -8.064 1.00 0.00 O ATOM 459 C5' C A 18 16.899 0.811 -9.046 1.00 0.00 C ATOM 460 C4' C A 18 16.443 2.157 -8.428 1.00 0.00 C ATOM 461 O4' C A 18 15.304 1.969 -7.530 1.00 0.00 O ATOM 462 C3' C A 18 17.508 2.857 -7.590 1.00 0.00 C ATOM 463 O3' C A 18 18.323 3.728 -8.373 1.00 0.00 O ATOM 464 C2' C A 18 16.754 3.545 -6.452 1.00 0.00 C ATOM 465 O2' C A 18 16.463 4.924 -6.674 1.00 0.00 O ATOM 466 C1' C A 18 15.455 2.733 -6.316 1.00 0.00 C ATOM 467 N1 C A 18 15.406 1.896 -5.077 1.00 0.00 N ATOM 468 C2 C A 18 15.182 2.520 -3.785 1.00 0.00 C ATOM 469 O2 C A 18 15.023 3.749 -3.650 1.00 0.00 O ATOM 470 N3 C A 18 15.146 1.707 -2.669 1.00 0.00 N ATOM 471 C4 C A 18 15.312 0.359 -2.770 1.00 0.00 C ATOM 472 N4 C A 18 15.275 -0.461 -1.680 1.00 0.00 N ATOM 473 C5 C A 18 15.532 -0.238 -4.064 1.00 0.00 C ATOM 474 C6 C A 18 15.570 0.540 -5.141 1.00 0.00 C ATOM 0 H5' C A 18 16.057 0.345 -9.558 1.00 0.00 H new ATOM 0 H5'' C A 18 17.665 0.999 -9.798 1.00 0.00 H new ATOM 0 H4' C A 18 16.200 2.769 -9.297 1.00 0.00 H new ATOM 0 H3' C A 18 18.232 2.155 -7.177 1.00 0.00 H new ATOM 0 H2' C A 18 17.370 3.558 -5.553 1.00 0.00 H new ATOM 0 HO2' C A 18 16.981 5.249 -7.440 1.00 0.00 H new ATOM 0 HO3' C A 18 18.990 4.157 -7.797 1.00 0.00 H new ATOM 0 H1' C A 18 14.607 3.406 -6.194 1.00 0.00 H new ATOM 0 H41 C A 18 15.403 -1.466 -1.794 1.00 0.00 H new ATOM 0 H42 C A 18 15.119 -0.068 -0.752 1.00 0.00 H new ATOM 0 H5 C A 18 15.664 -1.306 -4.157 1.00 0.00 H new ATOM 0 H6 C A 18 15.737 0.083 -6.105 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.157 1.103 5.154 1.00 0.00 N ATOM 489 CA ASN B 1 9.581 1.354 3.799 1.00 0.00 C ATOM 490 C ASN B 1 8.379 2.293 3.805 1.00 0.00 C ATOM 491 O ASN B 1 7.809 2.577 4.865 1.00 0.00 O ATOM 492 CB ASN B 1 9.288 -0.014 3.075 1.00 0.00 C ATOM 493 CG ASN B 1 8.020 -0.760 3.552 1.00 0.00 C ATOM 494 OD1 ASN B 1 7.820 -1.019 4.744 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.150 -1.119 2.557 1.00 0.00 N ATOM 0 H1 ASN B 1 11.132 1.462 5.189 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.583 1.591 5.871 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.158 0.081 5.347 1.00 0.00 H new ATOM 0 HA ASN B 1 10.333 1.892 3.222 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.198 0.173 2.005 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.148 -0.670 3.213 1.00 0.00 H new ATOM 0 HD21 ASN B 1 6.293 -1.623 2.786 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.359 -0.883 1.587 1.00 0.00 H new ATOM 503 N ALA B 2 7.967 2.785 2.592 1.00 0.00 N ATOM 504 CA ALA B 2 6.825 3.662 2.402 1.00 0.00 C ATOM 505 C ALA B 2 5.602 2.780 2.255 1.00 0.00 C ATOM 506 O ALA B 2 5.211 2.377 1.152 1.00 0.00 O ATOM 507 CB ALA B 2 6.949 4.661 1.237 1.00 0.00 C ATOM 0 H ALA B 2 8.447 2.562 1.720 1.00 0.00 H new ATOM 0 HA ALA B 2 6.753 4.311 3.275 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.046 5.268 1.181 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.811 5.307 1.402 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.079 4.116 0.302 1.00 0.00 H new ATOM 513 N LYS B 3 5.000 2.457 3.433 1.00 0.00 N ATOM 514 CA LYS B 3 3.820 1.646 3.602 1.00 0.00 C ATOM 515 C LYS B 3 2.624 2.584 3.684 1.00 0.00 C ATOM 516 O LYS B 3 1.781 2.536 2.793 1.00 0.00 O ATOM 517 CB LYS B 3 3.913 0.637 4.797 1.00 0.00 C ATOM 518 CG LYS B 3 2.736 -0.370 4.944 1.00 0.00 C ATOM 519 CD LYS B 3 2.464 -1.320 3.746 1.00 0.00 C ATOM 520 CE LYS B 3 3.485 -2.452 3.487 1.00 0.00 C ATOM 521 NZ LYS B 3 3.484 -3.472 4.565 1.00 0.00 N ATOM 0 H LYS B 3 5.367 2.788 4.325 1.00 0.00 H new ATOM 0 HA LYS B 3 3.707 0.988 2.741 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.838 0.069 4.694 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.991 1.209 5.722 1.00 0.00 H new ATOM 0 HG2 LYS B 3 2.923 -0.983 5.826 1.00 0.00 H new ATOM 0 HG3 LYS B 3 1.827 0.199 5.138 1.00 0.00 H new ATOM 0 HD2 LYS B 3 1.486 -1.777 3.894 1.00 0.00 H new ATOM 0 HD3 LYS B 3 2.399 -0.713 2.843 1.00 0.00 H new ATOM 0 HE2 LYS B 3 3.257 -2.933 2.536 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.483 -2.024 3.397 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 3.681 -4.408 4.157 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.217 -3.238 5.265 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 2.554 -3.485 5.029 1.00 0.00 H new ATOM 535 N THR B 4 2.545 3.460 4.737 1.00 0.00 N ATOM 536 CA THR B 4 1.474 4.426 5.001 1.00 0.00 C ATOM 537 C THR B 4 1.375 5.519 3.947 1.00 0.00 C ATOM 538 O THR B 4 0.266 5.792 3.492 1.00 0.00 O ATOM 539 CB THR B 4 1.431 5.036 6.418 1.00 0.00 C ATOM 540 OG1 THR B 4 2.707 5.499 6.853 1.00 0.00 O ATOM 541 CG2 THR B 4 0.850 4.014 7.432 1.00 0.00 C ATOM 0 H THR B 4 3.274 3.497 5.449 1.00 0.00 H new ATOM 0 HA THR B 4 0.588 3.794 4.938 1.00 0.00 H new ATOM 0 HB THR B 4 0.776 5.906 6.370 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.628 5.878 7.753 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.827 4.461 8.426 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.162 3.740 7.134 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.477 3.122 7.449 1.00 0.00 H new ATOM 549 N ARG B 5 2.513 6.142 3.519 1.00 0.00 N ATOM 550 CA ARG B 5 2.595 7.179 2.495 1.00 0.00 C ATOM 551 C ARG B 5 1.949 6.731 1.170 1.00 0.00 C ATOM 552 O ARG B 5 1.182 7.496 0.578 1.00 0.00 O ATOM 553 CB ARG B 5 4.081 7.645 2.344 1.00 0.00 C ATOM 554 CG ARG B 5 4.349 8.939 1.533 1.00 0.00 C ATOM 555 CD ARG B 5 3.832 10.274 2.124 1.00 0.00 C ATOM 556 NE ARG B 5 2.343 10.435 1.884 1.00 0.00 N ATOM 557 CZ ARG B 5 1.756 11.014 0.785 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.472 11.584 -0.227 1.00 0.00 N ATOM 559 NH2 ARG B 5 0.390 11.013 0.708 1.00 0.00 N ATOM 0 H ARG B 5 3.427 5.911 3.908 1.00 0.00 H new ATOM 0 HA ARG B 5 2.011 8.045 2.809 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.493 7.784 3.344 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.642 6.834 1.878 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.426 9.029 1.390 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.906 8.815 0.545 1.00 0.00 H new ATOM 0 HD2 ARG B 5 4.037 10.305 3.194 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.369 11.108 1.672 1.00 0.00 H new ATOM 0 HE ARG B 5 1.718 10.080 2.607 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.491 11.593 -0.188 1.00 0.00 H new ATOM 0 HH12 ARG B 5 1.988 12.001 -1.022 1.00 0.00 H new ATOM 0 HH21 ARG B 5 -0.163 10.590 1.454 1.00 0.00 H new ATOM 0 HH22 ARG B 5 -0.076 11.435 -0.095 1.00 0.00 H new ATOM 573 N ARG B 6 2.203 5.458 0.735 1.00 0.00 N ATOM 574 CA ARG B 6 1.632 4.781 -0.419 1.00 0.00 C ATOM 575 C ARG B 6 0.150 4.488 -0.120 1.00 0.00 C ATOM 576 O ARG B 6 -0.717 4.927 -0.881 1.00 0.00 O ATOM 577 CB ARG B 6 2.435 3.479 -0.753 1.00 0.00 C ATOM 578 CG ARG B 6 1.762 2.466 -1.714 1.00 0.00 C ATOM 579 CD ARG B 6 2.593 1.198 -1.944 1.00 0.00 C ATOM 580 NE ARG B 6 1.741 0.108 -2.537 1.00 0.00 N ATOM 581 CZ ARG B 6 1.501 -0.092 -3.872 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.795 0.843 -4.821 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.947 -1.278 -4.273 1.00 0.00 N ATOM 0 H ARG B 6 2.861 4.858 1.233 1.00 0.00 H new ATOM 0 HA ARG B 6 1.697 5.416 -1.303 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.392 3.772 -1.185 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.652 2.965 0.183 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.789 2.185 -1.310 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.581 2.952 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.427 1.419 -2.610 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.020 0.860 -1.000 1.00 0.00 H new ATOM 0 HE ARG B 6 1.301 -0.542 -1.885 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.211 1.734 -4.548 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.599 0.651 -5.804 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.720 -1.994 -3.583 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.761 -1.445 -5.262 1.00 0.00 H new ATOM 597 N HIS B 7 -0.147 3.731 0.992 1.00 0.00 N ATOM 598 CA HIS B 7 -1.436 3.303 1.511 1.00 0.00 C ATOM 599 C HIS B 7 -2.484 4.396 1.454 1.00 0.00 C ATOM 600 O HIS B 7 -3.513 4.152 0.847 1.00 0.00 O ATOM 601 CB HIS B 7 -1.346 2.724 2.953 1.00 0.00 C ATOM 602 CG HIS B 7 -2.642 2.241 3.541 1.00 0.00 C ATOM 603 ND1 HIS B 7 -2.941 0.920 3.709 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.690 2.949 4.017 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.139 0.833 4.267 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.612 2.051 4.473 1.00 0.00 N ATOM 0 H HIS B 7 0.608 3.387 1.585 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.752 2.499 0.846 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.638 1.895 2.949 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.934 3.491 3.608 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -2.344 0.135 3.449 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.781 4.025 4.034 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.649 -0.086 4.515 1.00 0.00 H new ATOM 615 N GLU B 8 -2.250 5.607 2.047 1.00 0.00 N ATOM 616 CA GLU B 8 -3.114 6.786 2.083 1.00 0.00 C ATOM 617 C GLU B 8 -3.895 7.024 0.774 1.00 0.00 C ATOM 618 O GLU B 8 -5.121 7.150 0.828 1.00 0.00 O ATOM 619 CB GLU B 8 -2.296 8.065 2.491 1.00 0.00 C ATOM 620 CG GLU B 8 -2.024 8.214 4.012 1.00 0.00 C ATOM 621 CD GLU B 8 -1.182 9.463 4.305 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.017 9.539 3.829 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.701 10.363 5.020 1.00 0.00 O ATOM 0 H GLU B 8 -1.377 5.776 2.547 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.866 6.585 2.846 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.341 8.049 1.966 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.835 8.947 2.146 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.970 8.276 4.549 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.506 7.328 4.380 1.00 0.00 H new ATOM 630 N ARG B 9 -3.212 7.042 -0.415 1.00 0.00 N ATOM 631 CA ARG B 9 -3.790 7.214 -1.750 1.00 0.00 C ATOM 632 C ARG B 9 -4.494 5.935 -2.223 1.00 0.00 C ATOM 633 O ARG B 9 -5.670 5.994 -2.585 1.00 0.00 O ATOM 634 CB ARG B 9 -2.753 7.644 -2.839 1.00 0.00 C ATOM 635 CG ARG B 9 -1.951 8.943 -2.560 1.00 0.00 C ATOM 636 CD ARG B 9 -0.954 9.356 -3.668 1.00 0.00 C ATOM 637 NE ARG B 9 0.119 8.297 -3.841 1.00 0.00 N ATOM 638 CZ ARG B 9 1.410 8.358 -3.381 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.904 9.428 -2.694 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.238 7.298 -3.631 1.00 0.00 N ATOM 0 H ARG B 9 -2.199 6.930 -0.448 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.509 8.026 -1.638 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.043 6.828 -2.975 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.282 7.767 -3.784 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.656 9.760 -2.406 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.401 8.817 -1.628 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.486 9.500 -4.608 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.493 10.310 -3.413 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.147 7.454 -4.351 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.305 10.231 -2.501 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.872 9.425 -2.373 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.890 6.490 -4.147 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.203 7.316 -3.301 1.00 0.00 H new ATOM 654 N ARG B 10 -3.792 4.755 -2.220 1.00 0.00 N ATOM 655 CA ARG B 10 -4.260 3.422 -2.613 1.00 0.00 C ATOM 656 C ARG B 10 -5.573 3.033 -1.910 1.00 0.00 C ATOM 657 O ARG B 10 -6.495 2.557 -2.570 1.00 0.00 O ATOM 658 CB ARG B 10 -3.122 2.375 -2.360 1.00 0.00 C ATOM 659 CG ARG B 10 -3.348 0.918 -2.838 1.00 0.00 C ATOM 660 CD ARG B 10 -2.114 0.013 -2.610 1.00 0.00 C ATOM 661 NE ARG B 10 -2.394 -1.419 -3.009 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.316 -1.947 -4.274 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.087 -1.197 -5.390 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.478 -3.296 -4.405 1.00 0.00 N ATOM 0 H ARG B 10 -2.818 4.732 -1.918 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.491 3.436 -3.678 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.216 2.746 -2.839 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.927 2.347 -1.288 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.204 0.496 -2.311 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.598 0.923 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.271 0.394 -3.186 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.824 0.049 -1.560 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.669 -2.057 -2.262 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.963 -0.188 -5.310 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.039 -1.645 -6.305 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.650 -3.871 -3.581 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.427 -3.729 -5.327 1.00 0.00 H new ATOM 678 N ARG B 11 -5.684 3.276 -0.568 1.00 0.00 N ATOM 679 CA ARG B 11 -6.790 3.098 0.355 1.00 0.00 C ATOM 680 C ARG B 11 -8.028 3.758 -0.224 1.00 0.00 C ATOM 681 O ARG B 11 -8.996 3.039 -0.446 1.00 0.00 O ATOM 682 CB ARG B 11 -6.417 3.630 1.763 1.00 0.00 C ATOM 683 CG ARG B 11 -7.446 3.413 2.882 1.00 0.00 C ATOM 684 CD ARG B 11 -7.420 4.486 3.969 1.00 0.00 C ATOM 685 NE ARG B 11 -8.293 3.983 5.091 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.399 4.526 6.346 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.749 5.666 6.720 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.196 3.882 7.253 1.00 0.00 N ATOM 0 H ARG B 11 -4.877 3.651 -0.068 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.010 2.038 0.484 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.481 3.160 2.066 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.225 4.700 1.682 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.443 3.380 2.443 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.268 2.441 3.342 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.402 4.660 4.318 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.792 5.436 3.585 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.860 3.158 4.898 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.151 6.154 6.053 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.861 6.030 7.666 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.686 3.028 6.986 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.300 4.256 8.196 1.00 0.00 H new ATOM 702 N LYS B 12 -8.012 5.104 -0.515 1.00 0.00 N ATOM 703 CA LYS B 12 -9.089 5.896 -1.119 1.00 0.00 C ATOM 704 C LYS B 12 -9.755 5.149 -2.280 1.00 0.00 C ATOM 705 O LYS B 12 -10.971 4.943 -2.250 1.00 0.00 O ATOM 706 CB LYS B 12 -8.640 7.335 -1.547 1.00 0.00 C ATOM 707 CG LYS B 12 -8.248 8.266 -0.372 1.00 0.00 C ATOM 708 CD LYS B 12 -7.634 9.623 -0.788 1.00 0.00 C ATOM 709 CE LYS B 12 -7.195 10.497 0.403 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.587 11.767 -0.058 1.00 0.00 N ATOM 0 H LYS B 12 -7.191 5.675 -0.314 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.833 6.034 -0.334 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.790 7.250 -2.224 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.449 7.802 -2.108 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.135 8.456 0.232 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.535 7.742 0.264 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.772 9.440 -1.430 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.363 10.174 -1.382 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.056 10.712 1.036 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.478 9.949 1.015 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.301 12.334 0.766 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.752 11.560 -0.642 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.280 12.299 -0.621 1.00 0.00 H new ATOM 724 N LEU B 13 -8.953 4.681 -3.285 1.00 0.00 N ATOM 725 CA LEU B 13 -9.381 3.904 -4.442 1.00 0.00 C ATOM 726 C LEU B 13 -9.938 2.544 -4.077 1.00 0.00 C ATOM 727 O LEU B 13 -11.066 2.258 -4.472 1.00 0.00 O ATOM 728 CB LEU B 13 -8.355 3.809 -5.584 1.00 0.00 C ATOM 729 CG LEU B 13 -8.041 5.172 -6.282 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.256 6.133 -6.498 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.801 5.875 -5.672 1.00 0.00 C ATOM 0 H LEU B 13 -7.948 4.855 -3.290 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.202 4.495 -4.847 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.427 3.394 -5.190 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.725 3.108 -6.332 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.782 4.887 -7.302 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.916 7.044 -6.990 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.003 5.641 -7.122 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.697 6.384 -5.533 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.625 6.817 -6.191 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -6.977 6.071 -4.614 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.928 5.232 -5.781 1.00 0.00 H new ATOM 743 N ALA B 14 -9.187 1.703 -3.301 1.00 0.00 N ATOM 744 CA ALA B 14 -9.560 0.380 -2.804 1.00 0.00 C ATOM 745 C ALA B 14 -10.914 0.394 -2.136 1.00 0.00 C ATOM 746 O ALA B 14 -11.741 -0.466 -2.455 1.00 0.00 O ATOM 747 CB ALA B 14 -8.556 -0.206 -1.795 1.00 0.00 C ATOM 0 H ALA B 14 -8.249 1.967 -2.998 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.573 -0.248 -3.695 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.898 -1.188 -1.470 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.578 -0.300 -2.268 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.479 0.455 -0.932 1.00 0.00 H new ATOM 753 N ILE B 15 -11.176 1.396 -1.227 1.00 0.00 N ATOM 754 CA ILE B 15 -12.450 1.564 -0.567 1.00 0.00 C ATOM 755 C ILE B 15 -13.505 1.799 -1.646 1.00 0.00 C ATOM 756 O ILE B 15 -14.459 1.026 -1.725 1.00 0.00 O ATOM 757 CB ILE B 15 -12.658 2.607 0.563 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.503 2.806 1.591 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.951 2.167 1.295 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.042 4.253 1.634 1.00 0.00 C ATOM 0 H ILE B 15 -10.483 2.093 -0.956 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.525 0.637 0.001 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.706 3.586 0.086 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.839 2.500 2.582 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.664 2.163 1.326 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.162 2.860 2.109 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.785 2.168 0.593 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.817 1.163 1.698 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.236 4.357 2.361 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.683 4.550 0.649 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.876 4.892 1.924 1.00 0.00 H new ATOM 772 N GLU B 16 -13.342 2.872 -2.481 1.00 0.00 N ATOM 773 CA GLU B 16 -14.248 3.279 -3.537 1.00 0.00 C ATOM 774 C GLU B 16 -14.626 2.150 -4.537 1.00 0.00 C ATOM 775 O GLU B 16 -15.728 2.185 -5.088 1.00 0.00 O ATOM 776 CB GLU B 16 -13.681 4.541 -4.290 1.00 0.00 C ATOM 777 CG GLU B 16 -14.685 5.308 -5.188 1.00 0.00 C ATOM 778 CD GLU B 16 -14.026 6.547 -5.806 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.134 6.381 -6.683 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.418 7.679 -5.415 1.00 0.00 O ATOM 0 H GLU B 16 -12.531 3.486 -2.410 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.184 3.538 -3.042 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.286 5.234 -3.548 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.841 4.223 -4.908 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.048 4.651 -5.978 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.552 5.607 -4.599 1.00 0.00 H new ATOM 787 N ARG B 17 -13.752 1.109 -4.765 1.00 0.00 N ATOM 788 CA ARG B 17 -14.005 -0.074 -5.602 1.00 0.00 C ATOM 789 C ARG B 17 -15.247 -0.797 -5.050 1.00 0.00 C ATOM 790 O ARG B 17 -16.206 -1.040 -5.787 1.00 0.00 O ATOM 791 CB ARG B 17 -12.825 -1.106 -5.692 1.00 0.00 C ATOM 792 CG ARG B 17 -11.473 -0.612 -6.259 1.00 0.00 C ATOM 793 CD ARG B 17 -10.391 -1.713 -6.306 1.00 0.00 C ATOM 794 NE ARG B 17 -9.015 -1.078 -6.342 1.00 0.00 N ATOM 795 CZ ARG B 17 -7.928 -1.495 -5.608 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.951 -2.620 -4.831 1.00 0.00 N ATOM 797 NH2 ARG B 17 -6.782 -0.751 -5.648 1.00 0.00 N ATOM 0 H ARG B 17 -12.823 1.091 -4.345 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.141 0.302 -6.616 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.645 -1.496 -4.690 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.159 -1.943 -6.305 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.629 -0.223 -7.265 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.112 0.216 -5.649 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.480 -2.361 -5.434 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.535 -2.341 -7.185 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.884 -0.277 -6.960 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.797 -3.187 -4.779 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.122 -2.892 -4.303 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.744 0.096 -6.215 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -5.965 -1.043 -5.111 1.00 0.00 H new ATOM 811 N ASP B 18 -15.228 -1.101 -3.717 1.00 0.00 N ATOM 812 CA ASP B 18 -16.248 -1.724 -2.889 1.00 0.00 C ATOM 813 C ASP B 18 -17.510 -0.861 -2.770 1.00 0.00 C ATOM 814 O ASP B 18 -18.610 -1.385 -2.963 1.00 0.00 O ATOM 815 CB ASP B 18 -15.714 -2.091 -1.459 1.00 0.00 C ATOM 816 CG ASP B 18 -14.600 -3.147 -1.507 1.00 0.00 C ATOM 817 OD1 ASP B 18 -14.891 -4.311 -1.893 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.443 -2.799 -1.146 1.00 0.00 O ATOM 0 H ASP B 18 -14.401 -0.883 -3.161 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.515 -2.649 -3.401 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.338 -1.191 -0.972 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.538 -2.463 -0.850 1.00 0.00 H new ATOM 823 N THR B 19 -17.359 0.465 -2.448 1.00 0.00 N ATOM 824 CA THR B 19 -18.390 1.496 -2.262 1.00 0.00 C ATOM 825 C THR B 19 -19.505 1.409 -3.338 1.00 0.00 C ATOM 826 O THR B 19 -20.689 1.257 -2.933 1.00 0.00 O ATOM 827 CB THR B 19 -17.893 2.960 -2.146 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.391 3.490 -3.360 1.00 0.00 O ATOM 829 CG2 THR B 19 -16.944 3.209 -0.950 1.00 0.00 C ATOM 830 OXT THR B 19 -19.193 1.483 -4.558 1.00 0.00 O ATOM 0 H THR B 19 -16.427 0.853 -2.304 1.00 0.00 H new ATOM 0 HA THR B 19 -18.791 1.249 -1.279 1.00 0.00 H new ATOM 0 HB THR B 19 -18.795 3.530 -1.925 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.936 2.782 -3.863 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.641 4.256 -0.938 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.460 2.970 -0.020 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.062 2.577 -1.048 1.00 0.00 H new TER 838 THR B 19