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 143:sc= -0.664 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -2.8 K(o=-3.5,f=-0.5) USER MOD Single : A 4 G O2' : rot 180:sc=-0.00442 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -18:sc= 0.0366 USER MOD Single : A 6 G O2' : rot -16:sc= 0.0805 USER MOD Single : A 7 C O2' : rot -119:sc= 0.921 USER MOD Single : A 8 U O2' : rot -12:sc= 0.106 USER MOD Single : A 9 G O2' : rot -169:sc= 0.454 USER MOD Single : A 10 A O2' : rot -54:sc= 0.711 USER MOD Single : A 12 A O2' : rot -14:sc= 0.0415 USER MOD Single : A 13 A O2' : rot -20:sc= 0.01 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -16:sc= 0.0335 USER MOD Single : A 16 C O2' : rot -114:sc= 0.0151 USER MOD Single : A 17 G O2' : rot -27:sc= 0.0322 USER MOD Single : A 18 C O2' : rot -15:sc= 0.0518 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0678 USER MOD Single : B 1 ASN : amide:sc= -0.0717 X(o=-0.072,f=0.11) USER MOD Single : B 1 ASN N :NH3+ -117:sc= 0.815 (180deg=0.031) USER MOD Single : B 3 LYS NZ :NH3+ 169:sc= 0.126 (180deg=0.0595) 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 -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.847 7.390 7.224 1.00 0.00 O ATOM 2 C5' G A 4 10.943 6.566 6.850 1.00 0.00 C ATOM 3 C4' G A 4 11.588 7.106 5.564 1.00 0.00 C ATOM 4 O4' G A 4 12.714 6.268 5.174 1.00 0.00 O ATOM 5 C3' G A 4 10.666 7.079 4.339 1.00 0.00 C ATOM 6 O3' G A 4 9.815 8.232 4.253 1.00 0.00 O ATOM 7 C2' G A 4 11.641 6.960 3.176 1.00 0.00 C ATOM 8 O2' G A 4 11.946 8.177 2.501 1.00 0.00 O ATOM 9 C1' G A 4 12.885 6.314 3.749 1.00 0.00 C ATOM 10 N9 G A 4 13.158 4.977 3.172 1.00 0.00 N ATOM 11 C8 G A 4 13.054 3.782 3.780 1.00 0.00 C ATOM 12 N7 G A 4 13.363 2.752 3.030 1.00 0.00 N ATOM 13 C5 G A 4 13.699 3.304 1.818 1.00 0.00 C ATOM 14 C6 G A 4 14.108 2.660 0.640 1.00 0.00 C ATOM 15 O6 G A 4 14.246 1.440 0.508 1.00 0.00 O ATOM 16 N1 G A 4 14.357 3.598 -0.408 1.00 0.00 N ATOM 17 C2 G A 4 14.228 4.995 -0.317 1.00 0.00 C ATOM 18 N2 G A 4 14.532 5.630 -1.485 1.00 0.00 N ATOM 19 N3 G A 4 13.830 5.575 0.847 1.00 0.00 N ATOM 20 C4 G A 4 13.583 4.695 1.861 1.00 0.00 C ATOM 0 H5' G A 4 10.603 5.542 6.695 1.00 0.00 H new ATOM 0 H5'' G A 4 11.680 6.539 7.653 1.00 0.00 H new ATOM 0 H4' G A 4 11.858 8.132 5.814 1.00 0.00 H new ATOM 0 H3' G A 4 9.949 6.259 4.367 1.00 0.00 H new ATOM 0 H2' G A 4 11.176 6.365 2.390 1.00 0.00 H new ATOM 0 HO2' G A 4 12.578 7.998 1.774 1.00 0.00 H new ATOM 0 HO5' G A 4 9.439 7.040 8.043 1.00 0.00 H new ATOM 0 H1' G A 4 13.764 6.904 3.488 1.00 0.00 H new ATOM 0 H8 G A 4 12.740 3.679 4.808 1.00 0.00 H new ATOM 0 H1 G A 4 14.656 3.219 -1.306 1.00 0.00 H new ATOM 0 H21 G A 4 14.475 6.647 -1.542 1.00 0.00 H new ATOM 0 H22 G A 4 14.816 5.088 -2.301 1.00 0.00 H new ATOM 33 P C A 5 8.447 8.257 3.437 1.00 0.00 P ATOM 34 OP1 C A 5 7.843 9.599 3.604 1.00 0.00 O ATOM 35 OP2 C A 5 7.616 7.105 3.850 1.00 0.00 O ATOM 36 O5' C A 5 8.875 8.052 1.911 1.00 0.00 O ATOM 37 C5' C A 5 9.229 9.121 1.040 1.00 0.00 C ATOM 38 C4' C A 5 9.483 8.687 -0.435 1.00 0.00 C ATOM 39 O4' C A 5 10.725 7.927 -0.623 1.00 0.00 O ATOM 40 C3' C A 5 8.391 7.837 -1.090 1.00 0.00 C ATOM 41 O3' C A 5 7.292 8.640 -1.532 1.00 0.00 O ATOM 42 C2' C A 5 9.146 7.106 -2.211 1.00 0.00 C ATOM 43 O2' C A 5 9.232 7.855 -3.421 1.00 0.00 O ATOM 44 C1' C A 5 10.530 6.865 -1.592 1.00 0.00 C ATOM 45 N1 C A 5 10.673 5.516 -0.951 1.00 0.00 N ATOM 46 C2 C A 5 11.034 4.379 -1.760 1.00 0.00 C ATOM 47 O2 C A 5 11.222 4.463 -2.987 1.00 0.00 O ATOM 48 N3 C A 5 11.170 3.161 -1.132 1.00 0.00 N ATOM 49 C4 C A 5 10.977 3.014 0.205 1.00 0.00 C ATOM 50 N4 C A 5 11.105 1.793 0.794 1.00 0.00 N ATOM 51 C5 C A 5 10.620 4.161 1.010 1.00 0.00 C ATOM 52 C6 C A 5 10.482 5.343 0.400 1.00 0.00 C ATOM 0 H5' C A 5 10.127 9.605 1.424 1.00 0.00 H new ATOM 0 H5'' C A 5 8.433 9.866 1.056 1.00 0.00 H new ATOM 0 H4' C A 5 9.520 9.665 -0.916 1.00 0.00 H new ATOM 0 H3' C A 5 7.909 7.129 -0.416 1.00 0.00 H new ATOM 0 H2' C A 5 8.637 6.193 -2.518 1.00 0.00 H new ATOM 0 HO2' C A 5 8.563 8.571 -3.411 1.00 0.00 H new ATOM 0 H1' C A 5 11.289 6.876 -2.374 1.00 0.00 H new ATOM 0 H41 C A 5 10.958 1.693 1.798 1.00 0.00 H new ATOM 0 H42 C A 5 11.348 0.978 0.231 1.00 0.00 H new ATOM 0 H5 C A 5 10.469 4.066 2.075 1.00 0.00 H new ATOM 0 H6 C A 5 10.208 6.201 0.996 1.00 0.00 H new ATOM 64 P G A 6 5.871 8.021 -1.891 1.00 0.00 P ATOM 65 OP1 G A 6 4.914 9.134 -2.064 1.00 0.00 O ATOM 66 OP2 G A 6 5.509 6.982 -0.896 1.00 0.00 O ATOM 67 O5' G A 6 6.142 7.390 -3.322 1.00 0.00 O ATOM 68 C5' G A 6 5.700 6.087 -3.667 1.00 0.00 C ATOM 69 C4' G A 6 6.492 5.554 -4.873 1.00 0.00 C ATOM 70 O4' G A 6 7.805 5.064 -4.464 1.00 0.00 O ATOM 71 C3' G A 6 5.814 4.362 -5.545 1.00 0.00 C ATOM 72 O3' G A 6 4.984 4.808 -6.621 1.00 0.00 O ATOM 73 C2' G A 6 6.964 3.457 -6.006 1.00 0.00 C ATOM 74 O2' G A 6 7.485 3.798 -7.292 1.00 0.00 O ATOM 75 C1' G A 6 8.022 3.727 -4.929 1.00 0.00 C ATOM 76 N9 G A 6 8.182 2.777 -3.791 1.00 0.00 N ATOM 77 C8 G A 6 8.029 3.008 -2.459 1.00 0.00 C ATOM 78 N7 G A 6 8.292 1.983 -1.687 1.00 0.00 N ATOM 79 C5 G A 6 8.646 0.988 -2.556 1.00 0.00 C ATOM 80 C6 G A 6 9.029 -0.326 -2.263 1.00 0.00 C ATOM 81 O6 G A 6 9.122 -0.811 -1.131 1.00 0.00 O ATOM 82 N1 G A 6 9.317 -1.059 -3.450 1.00 0.00 N ATOM 83 C2 G A 6 9.244 -0.568 -4.768 1.00 0.00 C ATOM 84 N2 G A 6 9.566 -1.500 -5.707 1.00 0.00 N ATOM 85 N3 G A 6 8.873 0.717 -5.003 1.00 0.00 N ATOM 86 C4 G A 6 8.590 1.435 -3.879 1.00 0.00 C ATOM 0 H5' G A 6 4.636 6.108 -3.903 1.00 0.00 H new ATOM 0 H5'' G A 6 5.825 5.417 -2.817 1.00 0.00 H new ATOM 0 H4' G A 6 6.557 6.399 -5.558 1.00 0.00 H new ATOM 0 H3' G A 6 5.147 3.815 -4.878 1.00 0.00 H new ATOM 0 H2' G A 6 6.649 2.419 -6.112 1.00 0.00 H new ATOM 0 HO2' G A 6 6.849 4.379 -7.759 1.00 0.00 H new ATOM 0 H1' G A 6 8.977 3.570 -5.431 1.00 0.00 H new ATOM 0 H8 G A 6 7.714 3.964 -2.068 1.00 0.00 H new ATOM 0 H1 G A 6 9.603 -2.031 -3.334 1.00 0.00 H new ATOM 0 H21 G A 6 9.547 -1.254 -6.697 1.00 0.00 H new ATOM 0 H22 G A 6 9.826 -2.444 -5.421 1.00 0.00 H new ATOM 98 P C A 7 3.527 4.232 -6.848 1.00 0.00 P ATOM 99 OP1 C A 7 2.972 4.813 -8.093 1.00 0.00 O ATOM 100 OP2 C A 7 2.729 4.416 -5.613 1.00 0.00 O ATOM 101 O5' C A 7 3.811 2.690 -7.047 1.00 0.00 O ATOM 102 C5' C A 7 4.363 2.132 -8.236 1.00 0.00 C ATOM 103 C4' C A 7 4.600 0.601 -8.117 1.00 0.00 C ATOM 104 O4' C A 7 5.805 0.274 -7.338 1.00 0.00 O ATOM 105 C3' C A 7 3.484 -0.128 -7.375 1.00 0.00 C ATOM 106 O3' C A 7 2.343 -0.353 -8.202 1.00 0.00 O ATOM 107 C2' C A 7 4.161 -1.385 -6.861 1.00 0.00 C ATOM 108 O2' C A 7 4.126 -2.488 -7.767 1.00 0.00 O ATOM 109 C1' C A 7 5.617 -0.983 -6.637 1.00 0.00 C ATOM 110 N1 C A 7 5.827 -0.900 -5.168 1.00 0.00 N ATOM 111 C2 C A 7 6.172 -2.093 -4.425 1.00 0.00 C ATOM 112 O2 C A 7 6.383 -3.188 -4.978 1.00 0.00 O ATOM 113 N3 C A 7 6.265 -2.000 -3.053 1.00 0.00 N ATOM 114 C4 C A 7 6.042 -0.827 -2.406 1.00 0.00 C ATOM 115 N4 C A 7 6.112 -0.765 -1.042 1.00 0.00 N ATOM 116 C5 C A 7 5.707 0.351 -3.187 1.00 0.00 C ATOM 117 C6 C A 7 5.618 0.267 -4.498 1.00 0.00 C ATOM 0 H5' C A 7 5.308 2.627 -8.462 1.00 0.00 H new ATOM 0 H5'' C A 7 3.692 2.329 -9.072 1.00 0.00 H new ATOM 0 H4' C A 7 4.672 0.285 -9.158 1.00 0.00 H new ATOM 0 H3' C A 7 3.057 0.446 -6.553 1.00 0.00 H new ATOM 0 H2' C A 7 3.639 -1.730 -5.968 1.00 0.00 H new ATOM 0 HO2' C A 7 3.646 -3.236 -7.354 1.00 0.00 H new ATOM 0 H1' C A 7 6.351 -1.691 -7.023 1.00 0.00 H new ATOM 0 H41 C A 7 5.943 0.119 -0.562 1.00 0.00 H new ATOM 0 H42 C A 7 6.333 -1.603 -0.504 1.00 0.00 H new ATOM 0 H5 C A 7 5.531 1.295 -2.693 1.00 0.00 H new ATOM 0 H6 C A 7 5.371 1.154 -5.062 1.00 0.00 H new ATOM 129 P U A 8 0.882 -0.605 -7.636 1.00 0.00 P ATOM 130 OP1 U A 8 -0.075 -0.549 -8.766 1.00 0.00 O ATOM 131 OP2 U A 8 0.629 0.337 -6.524 1.00 0.00 O ATOM 132 O5' U A 8 0.951 -2.100 -7.051 1.00 0.00 O ATOM 133 C5' U A 8 1.025 -3.187 -7.980 1.00 0.00 C ATOM 134 C4' U A 8 1.350 -4.566 -7.349 1.00 0.00 C ATOM 135 O4' U A 8 2.611 -4.621 -6.638 1.00 0.00 O ATOM 136 C3' U A 8 0.311 -5.143 -6.406 1.00 0.00 C ATOM 137 O3' U A 8 -0.697 -5.785 -7.182 1.00 0.00 O ATOM 138 C2' U A 8 1.118 -6.137 -5.557 1.00 0.00 C ATOM 139 O2' U A 8 1.169 -7.471 -6.063 1.00 0.00 O ATOM 140 C1' U A 8 2.527 -5.532 -5.527 1.00 0.00 C ATOM 141 N1 U A 8 2.895 -4.868 -4.235 1.00 0.00 N ATOM 142 C2 U A 8 3.141 -5.695 -3.081 1.00 0.00 C ATOM 143 O2 U A 8 3.077 -6.931 -3.061 1.00 0.00 O ATOM 144 N3 U A 8 3.477 -4.975 -1.911 1.00 0.00 N ATOM 145 C4 U A 8 3.587 -3.567 -1.783 1.00 0.00 C ATOM 146 O4 U A 8 3.881 -3.039 -0.708 1.00 0.00 O ATOM 147 C5 U A 8 3.321 -2.833 -3.007 1.00 0.00 C ATOM 148 C6 U A 8 2.997 -3.489 -4.140 1.00 0.00 C ATOM 0 H5' U A 8 1.786 -2.957 -8.726 1.00 0.00 H new ATOM 0 H5'' U A 8 0.074 -3.260 -8.507 1.00 0.00 H new ATOM 0 H4' U A 8 1.381 -5.171 -8.255 1.00 0.00 H new ATOM 0 H3' U A 8 -0.201 -4.412 -5.781 1.00 0.00 H new ATOM 0 H2' U A 8 0.646 -6.255 -4.581 1.00 0.00 H new ATOM 0 HO2' U A 8 0.516 -7.571 -6.787 1.00 0.00 H new ATOM 0 H1' U A 8 3.255 -6.339 -5.611 1.00 0.00 H new ATOM 0 H3 U A 8 3.659 -5.526 -1.072 1.00 0.00 H new ATOM 0 H5 U A 8 3.383 -1.755 -3.010 1.00 0.00 H new ATOM 0 H6 U A 8 2.805 -2.904 -5.027 1.00 0.00 H new ATOM 159 P G A 9 -2.240 -5.835 -6.890 1.00 0.00 P ATOM 160 OP1 G A 9 -2.866 -6.775 -7.850 1.00 0.00 O ATOM 161 OP2 G A 9 -2.773 -4.456 -6.888 1.00 0.00 O ATOM 162 O5' G A 9 -2.294 -6.438 -5.421 1.00 0.00 O ATOM 163 C5' G A 9 -2.140 -7.839 -5.182 1.00 0.00 C ATOM 164 C4' G A 9 -2.033 -8.192 -3.677 1.00 0.00 C ATOM 165 O4' G A 9 -0.765 -7.735 -3.098 1.00 0.00 O ATOM 166 C3' G A 9 -3.114 -7.551 -2.800 1.00 0.00 C ATOM 167 O3' G A 9 -4.333 -8.289 -2.851 1.00 0.00 O ATOM 168 C2' G A 9 -2.455 -7.504 -1.412 1.00 0.00 C ATOM 169 O2' G A 9 -2.609 -8.717 -0.674 1.00 0.00 O ATOM 170 C1' G A 9 -0.957 -7.277 -1.745 1.00 0.00 C ATOM 171 N9 G A 9 -0.466 -5.859 -1.611 1.00 0.00 N ATOM 172 C8 G A 9 -0.374 -4.892 -2.573 1.00 0.00 C ATOM 173 N7 G A 9 0.057 -3.729 -2.160 1.00 0.00 N ATOM 174 C5 G A 9 0.281 -3.904 -0.830 1.00 0.00 C ATOM 175 C6 G A 9 0.751 -2.962 0.088 1.00 0.00 C ATOM 176 O6 G A 9 1.035 -1.794 -0.184 1.00 0.00 O ATOM 177 N1 G A 9 0.860 -3.516 1.388 1.00 0.00 N ATOM 178 C2 G A 9 0.550 -4.837 1.749 1.00 0.00 C ATOM 179 N2 G A 9 0.791 -5.082 3.062 1.00 0.00 N ATOM 180 N3 G A 9 0.089 -5.728 0.825 1.00 0.00 N ATOM 181 C4 G A 9 -0.024 -5.212 -0.432 1.00 0.00 C ATOM 0 H5' G A 9 -1.246 -8.193 -5.696 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.988 -8.370 -5.614 1.00 0.00 H new ATOM 0 H4' G A 9 -2.135 -9.277 -3.672 1.00 0.00 H new ATOM 0 H3' G A 9 -3.421 -6.556 -3.124 1.00 0.00 H new ATOM 0 H2' G A 9 -2.904 -6.736 -0.783 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.329 -8.573 0.254 1.00 0.00 H new ATOM 0 H1' G A 9 -0.371 -7.829 -1.010 1.00 0.00 H new ATOM 0 H8 G A 9 -0.639 -5.076 -3.604 1.00 0.00 H new ATOM 0 H1 G A 9 1.194 -2.899 2.128 1.00 0.00 H new ATOM 0 H21 G A 9 0.606 -6.007 3.450 1.00 0.00 H new ATOM 0 H22 G A 9 1.157 -4.341 3.660 1.00 0.00 H new ATOM 193 P A A 10 -5.635 -7.867 -3.674 1.00 0.00 P ATOM 194 OP1 A A 10 -6.322 -9.106 -4.111 1.00 0.00 O ATOM 195 OP2 A A 10 -5.286 -6.898 -4.738 1.00 0.00 O ATOM 196 O5' A A 10 -6.546 -7.110 -2.614 1.00 0.00 O ATOM 197 C5' A A 10 -6.982 -7.757 -1.420 1.00 0.00 C ATOM 198 C4' A A 10 -6.926 -6.813 -0.197 1.00 0.00 C ATOM 199 O4' A A 10 -7.063 -7.629 1.005 1.00 0.00 O ATOM 200 C3' A A 10 -5.607 -6.029 -0.040 1.00 0.00 C ATOM 201 O3' A A 10 -5.806 -4.620 -0.214 1.00 0.00 O ATOM 202 C2' A A 10 -5.013 -6.444 1.312 1.00 0.00 C ATOM 203 O2' A A 10 -4.673 -5.363 2.172 1.00 0.00 O ATOM 204 C1' A A 10 -6.083 -7.305 1.989 1.00 0.00 C ATOM 205 N9 A A 10 -5.545 -8.606 2.476 1.00 0.00 N ATOM 206 C8 A A 10 -4.865 -9.587 1.800 1.00 0.00 C ATOM 207 N7 A A 10 -4.544 -10.627 2.535 1.00 0.00 N ATOM 208 C5 A A 10 -5.036 -10.327 3.780 1.00 0.00 C ATOM 209 C6 A A 10 -4.992 -11.067 4.979 1.00 0.00 C ATOM 210 N6 A A 10 -4.387 -12.296 4.998 1.00 0.00 N ATOM 211 N1 A A 10 -5.594 -10.456 6.057 1.00 0.00 N ATOM 212 C2 A A 10 -6.159 -9.250 5.907 1.00 0.00 C ATOM 213 N3 A A 10 -6.248 -8.487 4.835 1.00 0.00 N ATOM 214 C4 A A 10 -5.659 -9.086 3.780 1.00 0.00 C ATOM 0 H5' A A 10 -6.358 -8.631 -1.232 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.002 -8.117 -1.554 1.00 0.00 H new ATOM 0 H4' A A 10 -7.724 -6.085 -0.345 1.00 0.00 H new ATOM 0 H3' A A 10 -4.887 -6.271 -0.821 1.00 0.00 H new ATOM 0 H2' A A 10 -4.073 -6.964 1.129 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.075 -4.746 1.701 1.00 0.00 H new ATOM 0 H1' A A 10 -6.474 -6.740 2.835 1.00 0.00 H new ATOM 0 H8 A A 10 -4.615 -9.511 0.752 1.00 0.00 H new ATOM 0 H61 A A 10 -4.353 -12.834 5.864 1.00 0.00 H new ATOM 0 H62 A A 10 -3.970 -12.673 4.146 1.00 0.00 H new ATOM 0 H2 A A 10 -6.610 -8.841 6.799 1.00 0.00 H new ATOM 226 P C A 11 -5.212 -3.862 -1.495 1.00 0.00 P ATOM 227 OP1 C A 11 -6.244 -3.830 -2.559 1.00 0.00 O ATOM 228 OP2 C A 11 -3.894 -4.422 -1.864 1.00 0.00 O ATOM 229 O5' C A 11 -4.936 -2.398 -0.959 1.00 0.00 O ATOM 230 C5' C A 11 -5.985 -1.486 -0.648 1.00 0.00 C ATOM 231 C4' C A 11 -5.716 -0.736 0.673 1.00 0.00 C ATOM 232 O4' C A 11 -6.888 0.013 1.084 1.00 0.00 O ATOM 233 C3' C A 11 -5.439 -1.665 1.848 1.00 0.00 C ATOM 234 O3' C A 11 -4.122 -1.379 2.289 1.00 0.00 O ATOM 235 C2' C A 11 -6.523 -1.412 2.891 1.00 0.00 C ATOM 236 O2' C A 11 -6.086 -1.539 4.242 1.00 0.00 O ATOM 237 C1' C A 11 -7.052 -0.031 2.513 1.00 0.00 C ATOM 238 N1 C A 11 -8.507 0.092 2.882 1.00 0.00 N ATOM 239 C2 C A 11 -8.905 0.529 4.205 1.00 0.00 C ATOM 240 O2 C A 11 -8.075 0.835 5.084 1.00 0.00 O ATOM 241 N3 C A 11 -10.262 0.596 4.482 1.00 0.00 N ATOM 242 C4 C A 11 -11.202 0.266 3.551 1.00 0.00 C ATOM 243 N4 C A 11 -12.539 0.318 3.822 1.00 0.00 N ATOM 244 C5 C A 11 -10.782 -0.163 2.235 1.00 0.00 C ATOM 245 C6 C A 11 -9.488 -0.231 1.967 1.00 0.00 C ATOM 0 H5' C A 11 -6.928 -2.028 -0.573 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.094 -0.766 -1.459 1.00 0.00 H new ATOM 0 H4' C A 11 -4.850 -0.109 0.458 1.00 0.00 H new ATOM 0 H3' C A 11 -5.478 -2.727 1.605 1.00 0.00 H new ATOM 0 H2' C A 11 -7.306 -2.170 2.872 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.531 -0.863 4.795 1.00 0.00 H new ATOM 0 H1' C A 11 -6.535 0.780 3.025 1.00 0.00 H new ATOM 0 H41 C A 11 -13.216 0.064 3.102 1.00 0.00 H new ATOM 0 H42 C A 11 -12.861 0.611 4.744 1.00 0.00 H new ATOM 0 H5 C A 11 -11.513 -0.424 1.483 1.00 0.00 H new ATOM 0 H6 C A 11 -9.184 -0.556 0.983 1.00 0.00 H new ATOM 257 P A A 12 -2.877 -2.326 2.321 1.00 0.00 P ATOM 258 OP1 A A 12 -1.670 -1.473 2.438 1.00 0.00 O ATOM 259 OP2 A A 12 -2.913 -3.280 1.188 1.00 0.00 O ATOM 260 O5' A A 12 -3.152 -3.090 3.695 1.00 0.00 O ATOM 261 C5' A A 12 -2.051 -3.802 4.243 1.00 0.00 C ATOM 262 C4' A A 12 -2.448 -4.662 5.453 1.00 0.00 C ATOM 263 O4' A A 12 -3.266 -5.798 5.018 1.00 0.00 O ATOM 264 C3' A A 12 -1.213 -5.300 6.098 1.00 0.00 C ATOM 265 O3' A A 12 -0.655 -4.484 7.133 1.00 0.00 O ATOM 266 C2' A A 12 -1.688 -6.665 6.583 1.00 0.00 C ATOM 267 O2' A A 12 -2.230 -6.666 7.903 1.00 0.00 O ATOM 268 C1' A A 12 -2.744 -7.032 5.533 1.00 0.00 C ATOM 269 N9 A A 12 -2.277 -7.936 4.426 1.00 0.00 N ATOM 270 C8 A A 12 -2.181 -7.700 3.081 1.00 0.00 C ATOM 271 N7 A A 12 -1.776 -8.720 2.370 1.00 0.00 N ATOM 272 C5 A A 12 -1.580 -9.717 3.283 1.00 0.00 C ATOM 273 C6 A A 12 -1.148 -11.042 3.085 1.00 0.00 C ATOM 274 N6 A A 12 -0.892 -11.478 1.812 1.00 0.00 N ATOM 275 N1 A A 12 -1.047 -11.796 4.228 1.00 0.00 N ATOM 276 C2 A A 12 -1.354 -11.257 5.412 1.00 0.00 C ATOM 277 N3 A A 12 -1.774 -10.025 5.701 1.00 0.00 N ATOM 278 C4 A A 12 -1.871 -9.281 4.570 1.00 0.00 C ATOM 0 H5' A A 12 -1.278 -3.094 4.543 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.617 -4.441 3.474 1.00 0.00 H new ATOM 0 H4' A A 12 -2.975 -4.004 6.144 1.00 0.00 H new ATOM 0 H3' A A 12 -0.387 -5.403 5.394 1.00 0.00 H new ATOM 0 H2' A A 12 -0.867 -7.376 6.667 1.00 0.00 H new ATOM 0 HO2' A A 12 -2.004 -5.824 8.350 1.00 0.00 H new ATOM 0 H1' A A 12 -3.509 -7.631 6.027 1.00 0.00 H new ATOM 0 H8 A A 12 -2.422 -6.744 2.640 1.00 0.00 H new ATOM 0 H61 A A 12 -0.578 -12.436 1.654 1.00 0.00 H new ATOM 0 H62 A A 12 -1.015 -10.845 1.022 1.00 0.00 H new ATOM 0 H2 A A 12 -1.246 -11.917 6.260 1.00 0.00 H new ATOM 290 P A A 13 0.862 -4.003 7.092 1.00 0.00 P ATOM 291 OP1 A A 13 1.080 -3.028 8.187 1.00 0.00 O ATOM 292 OP2 A A 13 1.185 -3.543 5.724 1.00 0.00 O ATOM 293 O5' A A 13 1.683 -5.337 7.377 1.00 0.00 O ATOM 294 C5' A A 13 1.710 -5.923 8.679 1.00 0.00 C ATOM 295 C4' A A 13 2.053 -7.432 8.661 1.00 0.00 C ATOM 296 O4' A A 13 1.061 -8.201 7.892 1.00 0.00 O ATOM 297 C3' A A 13 3.384 -7.804 8.002 1.00 0.00 C ATOM 298 O3' A A 13 4.530 -7.603 8.834 1.00 0.00 O ATOM 299 C2' A A 13 3.158 -9.279 7.648 1.00 0.00 C ATOM 300 O2' A A 13 3.299 -10.176 8.753 1.00 0.00 O ATOM 301 C1' A A 13 1.712 -9.247 7.135 1.00 0.00 C ATOM 302 N9 A A 13 1.598 -9.022 5.651 1.00 0.00 N ATOM 303 C8 A A 13 1.212 -7.902 4.983 1.00 0.00 C ATOM 304 N7 A A 13 1.220 -7.999 3.682 1.00 0.00 N ATOM 305 C5 A A 13 1.640 -9.269 3.436 1.00 0.00 C ATOM 306 C6 A A 13 1.838 -9.921 2.205 1.00 0.00 C ATOM 307 N6 A A 13 1.589 -9.253 1.033 1.00 0.00 N ATOM 308 N1 A A 13 2.273 -11.220 2.308 1.00 0.00 N ATOM 309 C2 A A 13 2.476 -11.766 3.511 1.00 0.00 C ATOM 310 N3 A A 13 2.319 -11.232 4.726 1.00 0.00 N ATOM 311 C4 A A 13 1.888 -9.950 4.623 1.00 0.00 C ATOM 0 H5' A A 13 0.739 -5.783 9.153 1.00 0.00 H new ATOM 0 H5'' A A 13 2.443 -5.398 9.292 1.00 0.00 H new ATOM 0 H4' A A 13 2.083 -7.669 9.725 1.00 0.00 H new ATOM 0 H3' A A 13 3.620 -7.171 7.147 1.00 0.00 H new ATOM 0 H2' A A 13 3.896 -9.655 6.939 1.00 0.00 H new ATOM 0 HO2' A A 13 3.819 -9.743 9.462 1.00 0.00 H new ATOM 0 H1' A A 13 1.238 -10.218 7.281 1.00 0.00 H new ATOM 0 H8 A A 13 0.920 -6.996 5.493 1.00 0.00 H new ATOM 0 H61 A A 13 1.731 -9.722 0.138 1.00 0.00 H new ATOM 0 H62 A A 13 1.262 -8.287 1.056 1.00 0.00 H new ATOM 0 H2 A A 13 2.818 -12.791 3.499 1.00 0.00 H new ATOM 323 P A A 14 5.891 -7.003 8.248 1.00 0.00 P ATOM 324 OP1 A A 14 6.902 -6.995 9.330 1.00 0.00 O ATOM 325 OP2 A A 14 5.612 -5.703 7.594 1.00 0.00 O ATOM 326 O5' A A 14 6.332 -8.030 7.116 1.00 0.00 O ATOM 327 C5' A A 14 6.762 -9.355 7.397 1.00 0.00 C ATOM 328 C4' A A 14 6.836 -10.269 6.144 1.00 0.00 C ATOM 329 O4' A A 14 5.521 -10.442 5.506 1.00 0.00 O ATOM 330 C3' A A 14 7.732 -9.754 5.018 1.00 0.00 C ATOM 331 O3' A A 14 9.111 -10.061 5.230 1.00 0.00 O ATOM 332 C2' A A 14 7.116 -10.419 3.778 1.00 0.00 C ATOM 333 O2' A A 14 7.505 -11.775 3.565 1.00 0.00 O ATOM 334 C1' A A 14 5.617 -10.304 4.075 1.00 0.00 C ATOM 335 N9 A A 14 5.047 -8.988 3.610 1.00 0.00 N ATOM 336 C8 A A 14 4.652 -7.923 4.361 1.00 0.00 C ATOM 337 N7 A A 14 4.244 -6.879 3.690 1.00 0.00 N ATOM 338 C5 A A 14 4.364 -7.258 2.383 1.00 0.00 C ATOM 339 C6 A A 14 4.070 -6.536 1.213 1.00 0.00 C ATOM 340 N6 A A 14 3.611 -5.254 1.314 1.00 0.00 N ATOM 341 N1 A A 14 4.300 -7.210 0.042 1.00 0.00 N ATOM 342 C2 A A 14 4.772 -8.460 0.072 1.00 0.00 C ATOM 343 N3 A A 14 5.083 -9.227 1.121 1.00 0.00 N ATOM 344 C4 A A 14 4.852 -8.556 2.279 1.00 0.00 C ATOM 0 H5' A A 14 6.081 -9.802 8.121 1.00 0.00 H new ATOM 0 H5'' A A 14 7.745 -9.316 7.865 1.00 0.00 H new ATOM 0 H4' A A 14 7.241 -11.192 6.559 1.00 0.00 H new ATOM 0 H3' A A 14 7.756 -8.668 4.932 1.00 0.00 H new ATOM 0 H2' A A 14 7.446 -9.940 2.856 1.00 0.00 H new ATOM 0 HO2' A A 14 7.067 -12.118 2.758 1.00 0.00 H new ATOM 0 H1' A A 14 5.041 -11.062 3.545 1.00 0.00 H new ATOM 0 H8 A A 14 4.675 -7.940 5.441 1.00 0.00 H new ATOM 0 H61 A A 14 3.395 -4.722 0.471 1.00 0.00 H new ATOM 0 H62 A A 14 3.484 -4.829 2.232 1.00 0.00 H new ATOM 0 H2 A A 14 4.925 -8.918 -0.894 1.00 0.00 H new ATOM 356 P G A 15 10.275 -9.093 4.717 1.00 0.00 P ATOM 357 OP1 G A 15 11.567 -9.610 5.222 1.00 0.00 O ATOM 358 OP2 G A 15 9.945 -7.691 5.065 1.00 0.00 O ATOM 359 O5' G A 15 10.224 -9.241 3.128 1.00 0.00 O ATOM 360 C5' G A 15 10.502 -10.506 2.533 1.00 0.00 C ATOM 361 C4' G A 15 10.001 -10.623 1.076 1.00 0.00 C ATOM 362 O4' G A 15 8.598 -10.261 0.899 1.00 0.00 O ATOM 363 C3' G A 15 10.768 -9.800 0.049 1.00 0.00 C ATOM 364 O3' G A 15 11.960 -10.477 -0.347 1.00 0.00 O ATOM 365 C2' G A 15 9.743 -9.638 -1.076 1.00 0.00 C ATOM 366 O2' G A 15 9.701 -10.723 -2.002 1.00 0.00 O ATOM 367 C1' G A 15 8.429 -9.495 -0.301 1.00 0.00 C ATOM 368 N9 G A 15 8.014 -8.091 0.032 1.00 0.00 N ATOM 369 C8 G A 15 7.924 -7.496 1.253 1.00 0.00 C ATOM 370 N7 G A 15 7.538 -6.237 1.225 1.00 0.00 N ATOM 371 C5 G A 15 7.351 -5.961 -0.106 1.00 0.00 C ATOM 372 C6 G A 15 6.937 -4.753 -0.716 1.00 0.00 C ATOM 373 O6 G A 15 6.671 -3.691 -0.133 1.00 0.00 O ATOM 374 N1 G A 15 6.868 -4.895 -2.135 1.00 0.00 N ATOM 375 C2 G A 15 7.165 -6.060 -2.870 1.00 0.00 C ATOM 376 N2 G A 15 7.013 -5.905 -4.214 1.00 0.00 N ATOM 377 N3 G A 15 7.559 -7.193 -2.238 1.00 0.00 N ATOM 378 C4 G A 15 7.635 -7.090 -0.885 1.00 0.00 C ATOM 0 H5' G A 15 10.040 -11.290 3.132 1.00 0.00 H new ATOM 0 H5'' G A 15 11.578 -10.681 2.554 1.00 0.00 H new ATOM 0 H4' G A 15 10.165 -11.685 0.895 1.00 0.00 H new ATOM 0 H3' G A 15 11.127 -8.835 0.408 1.00 0.00 H new ATOM 0 H2' G A 15 9.980 -8.793 -1.723 1.00 0.00 H new ATOM 0 HO2' G A 15 10.512 -11.265 -1.908 1.00 0.00 H new ATOM 0 H1' G A 15 7.621 -9.850 -0.940 1.00 0.00 H new ATOM 0 H8 G A 15 8.151 -8.015 2.172 1.00 0.00 H new ATOM 0 H1 G A 15 6.576 -4.075 -2.667 1.00 0.00 H new ATOM 0 H21 G A 15 7.202 -6.686 -4.842 1.00 0.00 H new ATOM 0 H22 G A 15 6.710 -5.008 -4.593 1.00 0.00 H new ATOM 390 P C A 16 13.354 -9.743 -0.542 1.00 0.00 P ATOM 391 OP1 C A 16 14.406 -10.771 -0.718 1.00 0.00 O ATOM 392 OP2 C A 16 13.562 -8.764 0.552 1.00 0.00 O ATOM 393 O5' C A 16 13.150 -8.944 -1.897 1.00 0.00 O ATOM 394 C5' C A 16 13.029 -9.618 -3.147 1.00 0.00 C ATOM 395 C4' C A 16 12.494 -8.696 -4.268 1.00 0.00 C ATOM 396 O4' C A 16 11.116 -8.244 -3.998 1.00 0.00 O ATOM 397 C3' C A 16 13.283 -7.395 -4.458 1.00 0.00 C ATOM 398 O3' C A 16 14.484 -7.584 -5.206 1.00 0.00 O ATOM 399 C2' C A 16 12.249 -6.498 -5.134 1.00 0.00 C ATOM 400 O2' C A 16 12.087 -6.725 -6.534 1.00 0.00 O ATOM 401 C1' C A 16 10.978 -6.842 -4.336 1.00 0.00 C ATOM 402 N1 C A 16 10.711 -5.962 -3.123 1.00 0.00 N ATOM 403 C2 C A 16 10.267 -4.602 -3.347 1.00 0.00 C ATOM 404 O2 C A 16 10.092 -4.133 -4.488 1.00 0.00 O ATOM 405 N3 C A 16 10.029 -3.802 -2.248 1.00 0.00 N ATOM 406 C4 C A 16 10.198 -4.252 -0.977 1.00 0.00 C ATOM 407 N4 C A 16 9.965 -3.460 0.110 1.00 0.00 N ATOM 408 C5 C A 16 10.638 -5.604 -0.749 1.00 0.00 C ATOM 409 C6 C A 16 10.872 -6.393 -1.806 1.00 0.00 C ATOM 0 H5' C A 16 12.360 -10.471 -3.033 1.00 0.00 H new ATOM 0 H5'' C A 16 14.002 -10.013 -3.439 1.00 0.00 H new ATOM 0 H4' C A 16 12.577 -9.327 -5.153 1.00 0.00 H new ATOM 0 H3' C A 16 13.667 -6.964 -3.534 1.00 0.00 H new ATOM 0 H2' C A 16 12.533 -5.446 -5.113 1.00 0.00 H new ATOM 0 HO2' C A 16 12.393 -5.938 -7.031 1.00 0.00 H new ATOM 0 H1' C A 16 10.094 -6.645 -4.943 1.00 0.00 H new ATOM 0 H41 C A 16 10.102 -3.831 1.050 1.00 0.00 H new ATOM 0 H42 C A 16 9.654 -2.497 -0.018 1.00 0.00 H new ATOM 0 H5 C A 16 10.777 -5.975 0.256 1.00 0.00 H new ATOM 0 H6 C A 16 11.200 -7.407 -1.631 1.00 0.00 H new ATOM 421 P G A 17 15.764 -6.649 -5.016 1.00 0.00 P ATOM 422 OP1 G A 17 16.918 -7.302 -5.680 1.00 0.00 O ATOM 423 OP2 G A 17 15.935 -6.315 -3.584 1.00 0.00 O ATOM 424 O5' G A 17 15.379 -5.314 -5.799 1.00 0.00 O ATOM 425 C5' G A 17 15.250 -5.334 -7.222 1.00 0.00 C ATOM 426 C4' G A 17 14.580 -4.062 -7.788 1.00 0.00 C ATOM 427 O4' G A 17 13.297 -3.783 -7.132 1.00 0.00 O ATOM 428 C3' G A 17 15.382 -2.765 -7.619 1.00 0.00 C ATOM 429 O3' G A 17 16.388 -2.626 -8.626 1.00 0.00 O ATOM 430 C2' G A 17 14.293 -1.693 -7.707 1.00 0.00 C ATOM 431 O2' G A 17 13.882 -1.405 -9.048 1.00 0.00 O ATOM 432 C1' G A 17 13.147 -2.364 -6.926 1.00 0.00 C ATOM 433 N9 G A 17 12.960 -2.021 -5.475 1.00 0.00 N ATOM 434 C8 G A 17 13.035 -2.824 -4.369 1.00 0.00 C ATOM 435 N7 G A 17 12.790 -2.229 -3.233 1.00 0.00 N ATOM 436 C5 G A 17 12.533 -0.935 -3.574 1.00 0.00 C ATOM 437 C6 G A 17 12.209 0.129 -2.726 1.00 0.00 C ATOM 438 O6 G A 17 12.102 0.055 -1.498 1.00 0.00 O ATOM 439 N1 G A 17 12.010 1.330 -3.459 1.00 0.00 N ATOM 440 C2 G A 17 12.113 1.479 -4.856 1.00 0.00 C ATOM 441 N2 G A 17 11.869 2.750 -5.277 1.00 0.00 N ATOM 442 N3 G A 17 12.430 0.413 -5.641 1.00 0.00 N ATOM 443 C4 G A 17 12.625 -0.751 -4.957 1.00 0.00 C ATOM 0 H5' G A 17 14.666 -6.206 -7.516 1.00 0.00 H new ATOM 0 H5'' G A 17 16.238 -5.447 -7.669 1.00 0.00 H new ATOM 0 H4' G A 17 14.486 -4.305 -8.846 1.00 0.00 H new ATOM 0 H3' G A 17 15.948 -2.714 -6.689 1.00 0.00 H new ATOM 0 H2' G A 17 14.623 -0.728 -7.323 1.00 0.00 H new ATOM 0 HO2' G A 17 14.617 -1.603 -9.665 1.00 0.00 H new ATOM 0 H1' G A 17 12.221 -1.954 -7.330 1.00 0.00 H new ATOM 0 H8 G A 17 13.279 -3.874 -4.432 1.00 0.00 H new ATOM 0 H1 G A 17 11.770 2.164 -2.923 1.00 0.00 H new ATOM 0 H21 G A 17 11.915 2.976 -6.271 1.00 0.00 H new ATOM 0 H22 G A 17 11.640 3.477 -4.599 1.00 0.00 H new ATOM 455 P C A 18 17.810 -1.985 -8.320 1.00 0.00 P ATOM 456 OP1 C A 18 18.632 -2.061 -9.550 1.00 0.00 O ATOM 457 OP2 C A 18 18.380 -2.615 -7.106 1.00 0.00 O ATOM 458 O5' C A 18 17.476 -0.469 -7.985 1.00 0.00 O ATOM 459 C5' C A 18 17.082 0.466 -8.987 1.00 0.00 C ATOM 460 C4' C A 18 16.702 1.848 -8.392 1.00 0.00 C ATOM 461 O4' C A 18 15.520 1.755 -7.535 1.00 0.00 O ATOM 462 C3' C A 18 17.778 2.481 -7.515 1.00 0.00 C ATOM 463 O3' C A 18 18.723 3.236 -8.271 1.00 0.00 O ATOM 464 C2' C A 18 17.016 3.295 -6.470 1.00 0.00 C ATOM 465 O2' C A 18 16.802 4.662 -6.821 1.00 0.00 O ATOM 466 C1' C A 18 15.675 2.554 -6.341 1.00 0.00 C ATOM 467 N1 C A 18 15.563 1.764 -5.075 1.00 0.00 N ATOM 468 C2 C A 18 15.318 2.438 -3.813 1.00 0.00 C ATOM 469 O2 C A 18 15.183 3.674 -3.726 1.00 0.00 O ATOM 470 N3 C A 18 15.228 1.664 -2.671 1.00 0.00 N ATOM 471 C4 C A 18 15.365 0.311 -2.721 1.00 0.00 C ATOM 472 N4 C A 18 15.282 -0.469 -1.604 1.00 0.00 N ATOM 473 C5 C A 18 15.607 -0.334 -3.987 1.00 0.00 C ATOM 474 C6 C A 18 15.695 0.405 -5.086 1.00 0.00 C ATOM 0 H5' C A 18 16.232 0.065 -9.539 1.00 0.00 H new ATOM 0 H5'' C A 18 17.895 0.593 -9.702 1.00 0.00 H new ATOM 0 H4' C A 18 16.540 2.462 -9.278 1.00 0.00 H new ATOM 0 H3' C A 18 18.404 1.733 -7.028 1.00 0.00 H new ATOM 0 H2' C A 18 17.589 3.357 -5.545 1.00 0.00 H new ATOM 0 HO2' C A 18 17.386 4.903 -7.570 1.00 0.00 H new ATOM 0 HO3' C A 18 19.391 3.623 -7.667 1.00 0.00 H new ATOM 0 H1' C A 18 14.854 3.267 -6.265 1.00 0.00 H new ATOM 0 H41 C A 18 15.390 -1.481 -1.679 1.00 0.00 H new ATOM 0 H42 C A 18 15.112 -0.040 -0.694 1.00 0.00 H new ATOM 0 H5 C A 18 15.716 -1.407 -4.041 1.00 0.00 H new ATOM 0 H6 C A 18 15.879 -0.089 -6.028 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.606 2.219 5.173 1.00 0.00 N ATOM 489 CA ASN B 1 9.670 1.873 4.069 1.00 0.00 C ATOM 490 C ASN B 1 8.447 2.769 4.052 1.00 0.00 C ATOM 491 O ASN B 1 7.869 3.075 5.103 1.00 0.00 O ATOM 492 CB ASN B 1 9.277 0.359 4.153 1.00 0.00 C ATOM 493 CG ASN B 1 8.570 -0.157 2.879 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.215 -0.419 1.858 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.214 -0.321 2.962 1.00 0.00 N ATOM 0 H1 ASN B 1 11.514 2.531 4.773 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.198 2.985 5.747 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.761 1.383 5.772 1.00 0.00 H new ATOM 0 HA ASN B 1 10.186 2.045 3.125 1.00 0.00 H new ATOM 0 HB2 ASN B 1 10.175 -0.234 4.328 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.622 0.207 5.011 1.00 0.00 H new ATOM 0 HD21 ASN B 1 6.693 -0.673 2.159 1.00 0.00 H new ATOM 0 HD22 ASN B 1 6.724 -0.091 3.827 1.00 0.00 H new ATOM 503 N ALA B 2 8.030 3.184 2.818 1.00 0.00 N ATOM 504 CA ALA B 2 6.866 4.005 2.553 1.00 0.00 C ATOM 505 C ALA B 2 5.710 3.033 2.369 1.00 0.00 C ATOM 506 O ALA B 2 5.415 2.567 1.263 1.00 0.00 O ATOM 507 CB ALA B 2 7.036 4.961 1.356 1.00 0.00 C ATOM 0 H ALA B 2 8.532 2.932 1.967 1.00 0.00 H new ATOM 0 HA ALA B 2 6.687 4.686 3.385 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.123 5.541 1.221 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.871 5.636 1.545 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.235 4.383 0.454 1.00 0.00 H new ATOM 513 N LYS B 3 5.070 2.694 3.523 1.00 0.00 N ATOM 514 CA LYS B 3 3.947 1.795 3.683 1.00 0.00 C ATOM 515 C LYS B 3 2.664 2.627 3.698 1.00 0.00 C ATOM 516 O LYS B 3 1.814 2.454 2.826 1.00 0.00 O ATOM 517 CB LYS B 3 4.090 0.886 4.955 1.00 0.00 C ATOM 518 CG LYS B 3 3.109 -0.313 5.066 1.00 0.00 C ATOM 519 CD LYS B 3 3.433 -1.566 4.204 1.00 0.00 C ATOM 520 CE LYS B 3 4.558 -2.507 4.710 1.00 0.00 C ATOM 521 NZ LYS B 3 4.281 -3.073 6.058 1.00 0.00 N ATOM 0 H LYS B 3 5.366 3.084 4.418 1.00 0.00 H new ATOM 0 HA LYS B 3 3.914 1.101 2.843 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.108 0.497 4.983 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.963 1.513 5.838 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.066 -0.621 6.111 1.00 0.00 H new ATOM 0 HG3 LYS B 3 2.113 0.037 4.796 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.520 -2.154 4.107 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.702 -1.227 3.204 1.00 0.00 H new ATOM 0 HE2 LYS B 3 4.688 -3.323 3.999 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.498 -1.957 4.739 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.964 -3.830 6.264 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.368 -2.324 6.774 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.317 -3.462 6.080 1.00 0.00 H new ATOM 535 N THR B 4 2.523 3.564 4.691 1.00 0.00 N ATOM 536 CA THR B 4 1.386 4.463 4.910 1.00 0.00 C ATOM 537 C THR B 4 1.248 5.536 3.842 1.00 0.00 C ATOM 538 O THR B 4 0.119 5.833 3.457 1.00 0.00 O ATOM 539 CB THR B 4 1.282 5.099 6.313 1.00 0.00 C ATOM 540 OG1 THR B 4 2.523 5.640 6.764 1.00 0.00 O ATOM 541 CG2 THR B 4 0.737 4.071 7.341 1.00 0.00 C ATOM 0 H THR B 4 3.253 3.703 5.389 1.00 0.00 H new ATOM 0 HA THR B 4 0.544 3.775 4.833 1.00 0.00 H new ATOM 0 HB THR B 4 0.581 5.930 6.230 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.405 6.032 7.654 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.671 4.539 8.323 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.253 3.737 7.031 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.410 3.215 7.391 1.00 0.00 H new ATOM 549 N ARG B 5 2.370 6.126 3.332 1.00 0.00 N ATOM 550 CA ARG B 5 2.400 7.153 2.300 1.00 0.00 C ATOM 551 C ARG B 5 1.695 6.685 1.016 1.00 0.00 C ATOM 552 O ARG B 5 0.806 7.396 0.535 1.00 0.00 O ATOM 553 CB ARG B 5 3.852 7.683 2.098 1.00 0.00 C ATOM 554 CG ARG B 5 3.943 9.039 1.357 1.00 0.00 C ATOM 555 CD ARG B 5 5.318 9.721 1.469 1.00 0.00 C ATOM 556 NE ARG B 5 5.296 11.004 0.674 1.00 0.00 N ATOM 557 CZ ARG B 5 6.099 12.096 0.894 1.00 0.00 C ATOM 558 NH1 ARG B 5 7.050 12.141 1.875 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.934 13.193 0.093 1.00 0.00 N ATOM 0 H ARG B 5 3.304 5.874 3.656 1.00 0.00 H new ATOM 0 HA ARG B 5 1.818 8.014 2.629 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.327 7.784 3.074 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.422 6.940 1.541 1.00 0.00 H new ATOM 0 HG2 ARG B 5 3.711 8.882 0.304 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.182 9.711 1.754 1.00 0.00 H new ATOM 0 HD2 ARG B 5 5.551 9.929 2.513 1.00 0.00 H new ATOM 0 HD3 ARG B 5 6.098 9.059 1.094 1.00 0.00 H new ATOM 0 HE ARG B 5 4.627 11.065 -0.093 1.00 0.00 H new ATOM 0 HH11 ARG B 5 7.190 11.337 2.487 1.00 0.00 H new ATOM 0 HH12 ARG B 5 7.620 12.978 1.995 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.229 13.185 -0.644 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.516 14.019 0.233 1.00 0.00 H new ATOM 573 N ARG B 6 2.026 5.460 0.485 1.00 0.00 N ATOM 574 CA ARG B 6 1.367 4.841 -0.665 1.00 0.00 C ATOM 575 C ARG B 6 -0.070 4.436 -0.302 1.00 0.00 C ATOM 576 O ARG B 6 -0.985 4.729 -1.076 1.00 0.00 O ATOM 577 CB ARG B 6 2.127 3.651 -1.337 1.00 0.00 C ATOM 578 CG ARG B 6 2.423 2.408 -0.459 1.00 0.00 C ATOM 579 CD ARG B 6 3.067 1.224 -1.198 1.00 0.00 C ATOM 580 NE ARG B 6 2.024 0.363 -1.878 1.00 0.00 N ATOM 581 CZ ARG B 6 1.779 0.281 -3.226 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.257 1.192 -4.123 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.052 -0.782 -3.698 1.00 0.00 N ATOM 0 H ARG B 6 2.775 4.885 0.869 1.00 0.00 H new ATOM 0 HA ARG B 6 1.365 5.617 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.546 3.324 -2.199 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.076 4.029 -1.717 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.081 2.708 0.357 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.490 2.070 -0.009 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.773 1.597 -1.940 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.636 0.619 -0.492 1.00 0.00 H new ATOM 0 HE ARG B 6 1.443 -0.216 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.823 1.977 -3.800 1.00 0.00 H new ATOM 0 HH12 ARG B 6 2.048 1.088 -5.116 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.706 -1.491 -3.051 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.857 -0.864 -4.696 1.00 0.00 H new ATOM 597 N HIS B 7 -0.285 3.771 0.890 1.00 0.00 N ATOM 598 CA HIS B 7 -1.547 3.315 1.452 1.00 0.00 C ATOM 599 C HIS B 7 -2.603 4.406 1.408 1.00 0.00 C ATOM 600 O HIS B 7 -3.629 4.157 0.803 1.00 0.00 O ATOM 601 CB HIS B 7 -1.429 2.746 2.898 1.00 0.00 C ATOM 602 CG HIS B 7 -2.736 2.337 3.532 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.101 1.040 3.754 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.765 3.109 3.949 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.317 1.032 4.282 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.737 2.276 4.421 1.00 0.00 N ATOM 0 H HIS B 7 0.497 3.539 1.502 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.855 2.486 0.815 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.766 1.881 2.879 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.955 3.497 3.530 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -2.534 0.217 3.548 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.809 4.188 3.915 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.875 0.149 4.555 1.00 0.00 H new ATOM 615 N GLU B 8 -2.386 5.616 2.013 1.00 0.00 N ATOM 616 CA GLU B 8 -3.273 6.781 2.057 1.00 0.00 C ATOM 617 C GLU B 8 -4.027 7.022 0.736 1.00 0.00 C ATOM 618 O GLU B 8 -5.260 7.046 0.742 1.00 0.00 O ATOM 619 CB GLU B 8 -2.502 8.066 2.520 1.00 0.00 C ATOM 620 CG GLU B 8 -2.259 8.161 4.048 1.00 0.00 C ATOM 621 CD GLU B 8 -1.394 9.378 4.390 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.167 9.345 4.098 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.947 10.354 4.965 1.00 0.00 O ATOM 0 H GLU B 8 -1.516 5.795 2.514 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.036 6.554 2.802 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.539 8.099 2.010 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.062 8.944 2.200 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.214 8.231 4.568 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.770 7.252 4.400 1.00 0.00 H new ATOM 630 N ARG B 9 -3.301 7.156 -0.418 1.00 0.00 N ATOM 631 CA ARG B 9 -3.838 7.347 -1.767 1.00 0.00 C ATOM 632 C ARG B 9 -4.581 6.096 -2.254 1.00 0.00 C ATOM 633 O ARG B 9 -5.756 6.194 -2.610 1.00 0.00 O ATOM 634 CB ARG B 9 -2.754 7.745 -2.822 1.00 0.00 C ATOM 635 CG ARG B 9 -1.936 9.029 -2.518 1.00 0.00 C ATOM 636 CD ARG B 9 -0.861 9.404 -3.566 1.00 0.00 C ATOM 637 NE ARG B 9 0.207 8.328 -3.646 1.00 0.00 N ATOM 638 CZ ARG B 9 1.520 8.446 -3.264 1.00 0.00 C ATOM 639 NH1 ARG B 9 2.035 9.578 -2.704 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.352 7.376 -3.463 1.00 0.00 N ATOM 0 H ARG B 9 -2.281 7.130 -0.411 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.533 8.182 -1.682 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.058 6.913 -2.928 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.246 7.873 -3.786 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.629 9.865 -2.421 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.447 8.906 -1.551 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.327 9.534 -4.543 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.405 10.358 -3.301 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.081 7.425 -4.022 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.436 10.389 -2.551 1.00 0.00 H new ATOM 0 HH12 ARG B 9 3.019 9.613 -2.438 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.991 6.521 -3.885 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.333 7.435 -3.189 1.00 0.00 H new ATOM 654 N ARG B 10 -3.916 4.893 -2.262 1.00 0.00 N ATOM 655 CA ARG B 10 -4.428 3.581 -2.666 1.00 0.00 C ATOM 656 C ARG B 10 -5.742 3.227 -1.949 1.00 0.00 C ATOM 657 O ARG B 10 -6.682 2.801 -2.613 1.00 0.00 O ATOM 658 CB ARG B 10 -3.320 2.490 -2.452 1.00 0.00 C ATOM 659 CG ARG B 10 -3.585 1.045 -2.954 1.00 0.00 C ATOM 660 CD ARG B 10 -2.378 0.102 -2.727 1.00 0.00 C ATOM 661 NE ARG B 10 -2.702 -1.327 -3.118 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.294 -1.984 -4.250 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.714 -1.357 -5.308 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.484 -3.336 -4.271 1.00 0.00 N ATOM 0 H ARG B 10 -2.943 4.835 -1.962 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.671 3.617 -3.728 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.410 2.845 -2.935 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.113 2.435 -1.383 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.458 0.641 -2.441 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.824 1.072 -4.017 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.526 0.454 -3.309 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -2.083 0.134 -1.678 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.286 -1.856 -2.470 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.564 -0.348 -5.283 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.429 -1.895 -6.126 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.910 -3.804 -3.471 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.200 -3.878 -5.087 1.00 0.00 H new ATOM 678 N ARG B 11 -5.838 3.437 -0.597 1.00 0.00 N ATOM 679 CA ARG B 11 -6.944 3.263 0.327 1.00 0.00 C ATOM 680 C ARG B 11 -8.177 3.944 -0.231 1.00 0.00 C ATOM 681 O ARG B 11 -9.148 3.238 -0.478 1.00 0.00 O ATOM 682 CB ARG B 11 -6.572 3.765 1.748 1.00 0.00 C ATOM 683 CG ARG B 11 -7.605 3.515 2.859 1.00 0.00 C ATOM 684 CD ARG B 11 -7.592 4.563 3.972 1.00 0.00 C ATOM 685 NE ARG B 11 -8.452 4.020 5.085 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.426 4.410 6.398 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.691 5.470 6.846 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.172 3.690 7.291 1.00 0.00 N ATOM 0 H ARG B 11 -5.019 3.776 -0.093 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.167 2.201 0.433 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.635 3.292 2.042 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.384 4.837 1.692 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.600 3.485 2.415 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.421 2.534 3.297 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.576 4.745 4.321 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.980 5.516 3.612 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.119 3.290 4.836 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.127 6.012 6.192 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.706 5.719 7.835 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.722 2.893 6.970 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.178 3.950 8.277 1.00 0.00 H new ATOM 702 N LYS B 12 -8.153 5.297 -0.471 1.00 0.00 N ATOM 703 CA LYS B 12 -9.226 6.112 -1.045 1.00 0.00 C ATOM 704 C LYS B 12 -9.903 5.413 -2.230 1.00 0.00 C ATOM 705 O LYS B 12 -11.120 5.216 -2.201 1.00 0.00 O ATOM 706 CB LYS B 12 -8.764 7.562 -1.415 1.00 0.00 C ATOM 707 CG LYS B 12 -8.453 8.471 -0.197 1.00 0.00 C ATOM 708 CD LYS B 12 -7.959 9.891 -0.557 1.00 0.00 C ATOM 709 CE LYS B 12 -7.654 10.774 0.668 1.00 0.00 C ATOM 710 NZ LYS B 12 -7.211 12.127 0.253 1.00 0.00 N ATOM 0 H LYS B 12 -7.330 5.857 -0.249 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.973 6.222 -0.259 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.873 7.497 -2.040 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.541 8.035 -2.016 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.352 8.558 0.412 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.697 7.984 0.419 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.059 9.809 -1.166 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.714 10.384 -1.169 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -8.544 10.855 1.293 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.880 10.305 1.275 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.012 12.701 1.097 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.349 12.048 -0.323 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.961 12.582 -0.306 1.00 0.00 H new ATOM 724 N LEU B 13 -9.109 4.977 -3.254 1.00 0.00 N ATOM 725 CA LEU B 13 -9.552 4.245 -4.432 1.00 0.00 C ATOM 726 C LEU B 13 -10.087 2.866 -4.109 1.00 0.00 C ATOM 727 O LEU B 13 -11.211 2.566 -4.495 1.00 0.00 O ATOM 728 CB LEU B 13 -8.541 4.182 -5.588 1.00 0.00 C ATOM 729 CG LEU B 13 -8.207 5.562 -6.236 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.402 6.558 -6.386 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.936 6.205 -5.623 1.00 0.00 C ATOM 0 H LEU B 13 -8.103 5.145 -3.259 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.378 4.854 -4.799 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.617 3.735 -5.221 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.932 3.518 -6.359 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.976 5.319 -7.273 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.051 7.481 -6.848 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.173 6.110 -7.012 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.817 6.779 -5.403 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.744 7.163 -6.106 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.086 6.361 -4.555 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.083 5.544 -5.777 1.00 0.00 H new ATOM 743 N ALA B 14 -9.315 2.014 -3.373 1.00 0.00 N ATOM 744 CA ALA B 14 -9.648 0.668 -2.926 1.00 0.00 C ATOM 745 C ALA B 14 -11.006 0.623 -2.278 1.00 0.00 C ATOM 746 O ALA B 14 -11.818 -0.226 -2.662 1.00 0.00 O ATOM 747 CB ALA B 14 -8.652 0.084 -1.907 1.00 0.00 C ATOM 0 H ALA B 14 -8.382 2.289 -3.066 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.617 0.071 -3.837 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.968 -0.920 -1.623 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.659 0.038 -2.354 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.623 0.719 -1.022 1.00 0.00 H new ATOM 753 N ILE B 15 -11.288 1.578 -1.320 1.00 0.00 N ATOM 754 CA ILE B 15 -12.564 1.701 -0.661 1.00 0.00 C ATOM 755 C ILE B 15 -13.606 1.931 -1.747 1.00 0.00 C ATOM 756 O ILE B 15 -14.484 1.086 -1.896 1.00 0.00 O ATOM 757 CB ILE B 15 -12.803 2.718 0.489 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.662 2.885 1.540 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.113 2.269 1.192 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.223 4.337 1.648 1.00 0.00 C ATOM 0 H ILE B 15 -10.605 2.269 -1.010 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.625 0.767 -0.103 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.852 3.707 0.033 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -12.005 2.533 2.513 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.811 2.265 1.259 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.336 2.949 2.015 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.934 2.285 0.476 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.990 1.258 1.580 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.427 4.422 2.388 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.857 4.679 0.680 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -12.070 4.951 1.954 1.00 0.00 H new ATOM 772 N GLU B 16 -13.495 3.064 -2.511 1.00 0.00 N ATOM 773 CA GLU B 16 -14.390 3.504 -3.562 1.00 0.00 C ATOM 774 C GLU B 16 -14.831 2.395 -4.540 1.00 0.00 C ATOM 775 O GLU B 16 -16.024 2.295 -4.828 1.00 0.00 O ATOM 776 CB GLU B 16 -13.808 4.758 -4.319 1.00 0.00 C ATOM 777 CG GLU B 16 -14.806 5.526 -5.222 1.00 0.00 C ATOM 778 CD GLU B 16 -14.136 6.748 -5.858 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.257 6.561 -6.743 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.507 7.890 -5.475 1.00 0.00 O ATOM 0 H GLU B 16 -12.720 3.714 -2.378 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.307 3.801 -3.053 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.409 5.452 -3.579 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.970 4.430 -4.934 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.181 4.864 -6.003 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.666 5.843 -4.633 1.00 0.00 H new ATOM 787 N ARG B 17 -13.880 1.545 -5.046 1.00 0.00 N ATOM 788 CA ARG B 17 -14.072 0.409 -5.952 1.00 0.00 C ATOM 789 C ARG B 17 -15.101 -0.586 -5.396 1.00 0.00 C ATOM 790 O ARG B 17 -16.119 -0.846 -6.042 1.00 0.00 O ATOM 791 CB ARG B 17 -12.749 -0.368 -6.305 1.00 0.00 C ATOM 792 CG ARG B 17 -11.643 0.432 -7.032 1.00 0.00 C ATOM 793 CD ARG B 17 -10.321 -0.337 -7.233 1.00 0.00 C ATOM 794 NE ARG B 17 -9.295 0.617 -7.806 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.013 0.804 -7.349 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.491 0.122 -6.286 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.223 1.720 -7.990 1.00 0.00 N ATOM 0 H ARG B 17 -12.897 1.662 -4.801 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.440 0.857 -6.875 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.330 -0.763 -5.380 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.013 -1.224 -6.926 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.019 0.743 -8.007 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.437 1.340 -6.465 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.972 -0.745 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.472 -1.181 -7.906 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.583 1.175 -8.609 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.060 -0.564 -5.791 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.532 0.299 -5.988 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.590 2.243 -8.785 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.267 1.880 -7.673 1.00 0.00 H new ATOM 811 N ASP B 18 -14.827 -1.138 -4.181 1.00 0.00 N ATOM 812 CA ASP B 18 -15.604 -2.103 -3.413 1.00 0.00 C ATOM 813 C ASP B 18 -16.952 -1.558 -2.929 1.00 0.00 C ATOM 814 O ASP B 18 -17.996 -2.164 -3.181 1.00 0.00 O ATOM 815 CB ASP B 18 -14.788 -2.664 -2.191 1.00 0.00 C ATOM 816 CG ASP B 18 -13.631 -3.577 -2.627 1.00 0.00 C ATOM 817 OD1 ASP B 18 -12.628 -3.060 -3.189 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.736 -4.810 -2.387 1.00 0.00 O ATOM 0 H ASP B 18 -13.973 -0.883 -3.685 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.816 -2.915 -4.108 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.391 -1.832 -1.610 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.458 -3.220 -1.535 1.00 0.00 H new ATOM 823 N THR B 19 -16.921 -0.401 -2.218 1.00 0.00 N ATOM 824 CA THR B 19 -17.986 0.369 -1.601 1.00 0.00 C ATOM 825 C THR B 19 -18.871 1.017 -2.692 1.00 0.00 C ATOM 826 O THR B 19 -20.056 0.596 -2.795 1.00 0.00 O ATOM 827 CB THR B 19 -17.402 1.323 -0.562 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.993 0.609 0.602 1.00 0.00 O ATOM 829 CG2 THR B 19 -18.247 2.537 -0.142 1.00 0.00 C ATOM 830 OXT THR B 19 -18.394 1.925 -3.421 1.00 0.00 O ATOM 0 H THR B 19 -16.024 0.056 -2.055 1.00 0.00 H new ATOM 0 HA THR B 19 -18.665 -0.272 -1.039 1.00 0.00 H new ATOM 0 HB THR B 19 -16.559 1.762 -1.096 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.770 1.244 1.314 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.702 3.120 0.600 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.450 3.158 -1.014 1.00 0.00 H new ATOM 0 HG23 THR B 19 -19.189 2.194 0.286 1.00 0.00 H new TER 838 THR B 19