USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=21 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 149:sc= -0.642 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -3.27! K(o=-3.9!,f=0.041) 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 -21:sc= 0.0309 USER MOD Single : A 6 G O2' : rot -20:sc= 0.0919 USER MOD Single : A 7 C O2' : rot -120:sc= 0.949 USER MOD Single : A 8 U O2' : rot -12:sc= 0.128 USER MOD Single : A 9 G O2' : rot -170:sc= 0.802 USER MOD Single : A 10 A O2' : rot -58:sc= 0.63 USER MOD Single : A 12 A O2' : rot -15:sc= 0.0506 USER MOD Single : A 13 A O2' : rot -13:sc= 0.0606 USER MOD Single : A 14 A O2' : rot -15:sc= 0.0519 USER MOD Single : A 15 G O2' : rot -14:sc= 0.0653 USER MOD Single : A 16 C O2' : rot -20:sc= 0.00576 USER MOD Single : A 17 G O2' : rot -20:sc= 0.0277 USER MOD Single : A 18 C O2' : rot -15:sc= 0.0542 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0643 USER MOD Single : B 1 ASN : amide:sc= -0.377 X(o=-0.38,f=-0.28) USER MOD Single : B 1 ASN N :NH3+ -117:sc= 0.0512 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 165:sc= -0.488 (180deg=-0.776) 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 9.089 7.096 7.344 1.00 0.00 O ATOM 2 C5' G A 4 10.228 6.313 7.014 1.00 0.00 C ATOM 3 C4' G A 4 10.962 6.925 5.809 1.00 0.00 C ATOM 4 O4' G A 4 12.146 6.139 5.488 1.00 0.00 O ATOM 5 C3' G A 4 10.153 6.910 4.508 1.00 0.00 C ATOM 6 O3' G A 4 9.252 8.021 4.386 1.00 0.00 O ATOM 7 C2' G A 4 11.232 6.890 3.434 1.00 0.00 C ATOM 8 O2' G A 4 11.557 8.149 2.848 1.00 0.00 O ATOM 9 C1' G A 4 12.444 6.259 4.087 1.00 0.00 C ATOM 10 N9 G A 4 12.805 4.955 3.478 1.00 0.00 N ATOM 11 C8 G A 4 12.703 3.732 4.031 1.00 0.00 C ATOM 12 N7 G A 4 13.099 2.743 3.266 1.00 0.00 N ATOM 13 C5 G A 4 13.492 3.353 2.103 1.00 0.00 C ATOM 14 C6 G A 4 14.000 2.765 0.936 1.00 0.00 C ATOM 15 O6 G A 4 14.187 1.555 0.778 1.00 0.00 O ATOM 16 N1 G A 4 14.286 3.744 -0.061 1.00 0.00 N ATOM 17 C2 G A 4 14.103 5.133 0.065 1.00 0.00 C ATOM 18 N2 G A 4 14.463 5.811 -1.063 1.00 0.00 N ATOM 19 N3 G A 4 13.610 5.660 1.221 1.00 0.00 N ATOM 20 C4 G A 4 13.327 4.736 2.185 1.00 0.00 C ATOM 0 H5' G A 4 9.922 5.293 6.783 1.00 0.00 H new ATOM 0 H5'' G A 4 10.901 6.258 7.870 1.00 0.00 H new ATOM 0 H4' G A 4 11.170 7.949 6.118 1.00 0.00 H new ATOM 0 H3' G A 4 9.478 6.056 4.443 1.00 0.00 H new ATOM 0 H2' G A 4 10.856 6.326 2.580 1.00 0.00 H new ATOM 0 HO2' G A 4 12.258 8.025 2.175 1.00 0.00 H new ATOM 0 HO5' G A 4 8.628 6.696 8.111 1.00 0.00 H new ATOM 0 H1' G A 4 13.322 6.886 3.934 1.00 0.00 H new ATOM 0 H8 G A 4 12.323 3.577 5.030 1.00 0.00 H new ATOM 0 H1 G A 4 14.658 3.405 -0.948 1.00 0.00 H new ATOM 0 H21 G A 4 14.377 6.827 -1.097 1.00 0.00 H new ATOM 0 H22 G A 4 14.818 5.302 -1.872 1.00 0.00 H new ATOM 33 P C A 5 7.933 7.975 3.494 1.00 0.00 P ATOM 34 OP1 C A 5 7.214 9.257 3.683 1.00 0.00 O ATOM 35 OP2 C A 5 7.173 6.747 3.821 1.00 0.00 O ATOM 36 O5' C A 5 8.461 7.858 1.990 1.00 0.00 O ATOM 37 C5' C A 5 8.826 8.988 1.203 1.00 0.00 C ATOM 38 C4' C A 5 9.201 8.647 -0.271 1.00 0.00 C ATOM 39 O4' C A 5 10.496 7.969 -0.411 1.00 0.00 O ATOM 40 C3' C A 5 8.207 7.770 -1.039 1.00 0.00 C ATOM 41 O3' C A 5 7.101 8.535 -1.523 1.00 0.00 O ATOM 42 C2' C A 5 9.077 7.131 -2.135 1.00 0.00 C ATOM 43 O2' C A 5 9.212 7.940 -3.299 1.00 0.00 O ATOM 44 C1' C A 5 10.422 6.928 -1.423 1.00 0.00 C ATOM 45 N1 C A 5 10.581 5.564 -0.815 1.00 0.00 N ATOM 46 C2 C A 5 11.019 4.463 -1.635 1.00 0.00 C ATOM 47 O2 C A 5 11.267 4.585 -2.849 1.00 0.00 O ATOM 48 N3 C A 5 11.162 3.234 -1.033 1.00 0.00 N ATOM 49 C4 C A 5 10.907 3.043 0.287 1.00 0.00 C ATOM 50 N4 C A 5 11.042 1.813 0.854 1.00 0.00 N ATOM 51 C5 C A 5 10.473 4.152 1.102 1.00 0.00 C ATOM 52 C6 C A 5 10.327 5.345 0.517 1.00 0.00 C ATOM 0 H5' C A 5 9.672 9.487 1.675 1.00 0.00 H new ATOM 0 H5'' C A 5 7.998 9.697 1.201 1.00 0.00 H new ATOM 0 H4' C A 5 9.210 9.649 -0.700 1.00 0.00 H new ATOM 0 H3' C A 5 7.721 7.006 -0.432 1.00 0.00 H new ATOM 0 H2' C A 5 8.639 6.211 -2.523 1.00 0.00 H new ATOM 0 HO2' C A 5 8.480 8.590 -3.332 1.00 0.00 H new ATOM 0 H1' C A 5 11.236 6.996 -2.144 1.00 0.00 H new ATOM 0 H41 C A 5 10.847 1.685 1.847 1.00 0.00 H new ATOM 0 H42 C A 5 11.338 1.019 0.286 1.00 0.00 H new ATOM 0 H5 C A 5 10.272 4.022 2.155 1.00 0.00 H new ATOM 0 H6 C A 5 9.993 6.176 1.120 1.00 0.00 H new ATOM 64 P G A 6 5.729 7.866 -1.964 1.00 0.00 P ATOM 65 OP1 G A 6 4.727 8.938 -2.140 1.00 0.00 O ATOM 66 OP2 G A 6 5.377 6.772 -1.024 1.00 0.00 O ATOM 67 O5' G A 6 6.092 7.297 -3.401 1.00 0.00 O ATOM 68 C5' G A 6 5.702 5.990 -3.789 1.00 0.00 C ATOM 69 C4' G A 6 6.563 5.511 -4.969 1.00 0.00 C ATOM 70 O4' G A 6 7.883 5.083 -4.510 1.00 0.00 O ATOM 71 C3' G A 6 5.969 4.295 -5.672 1.00 0.00 C ATOM 72 O3' G A 6 5.188 4.708 -6.799 1.00 0.00 O ATOM 73 C2' G A 6 7.170 3.425 -6.060 1.00 0.00 C ATOM 74 O2' G A 6 7.741 3.763 -7.326 1.00 0.00 O ATOM 75 C1' G A 6 8.165 3.748 -4.938 1.00 0.00 C ATOM 76 N9 G A 6 8.287 2.818 -3.777 1.00 0.00 N ATOM 77 C8 G A 6 8.064 3.059 -2.456 1.00 0.00 C ATOM 78 N7 G A 6 8.307 2.047 -1.660 1.00 0.00 N ATOM 79 C5 G A 6 8.722 1.051 -2.501 1.00 0.00 C ATOM 80 C6 G A 6 9.112 -0.256 -2.178 1.00 0.00 C ATOM 81 O6 G A 6 9.155 -0.727 -1.035 1.00 0.00 O ATOM 82 N1 G A 6 9.469 -0.990 -3.345 1.00 0.00 N ATOM 83 C2 G A 6 9.452 -0.511 -4.669 1.00 0.00 C ATOM 84 N2 G A 6 9.834 -1.437 -5.589 1.00 0.00 N ATOM 85 N3 G A 6 9.070 0.764 -4.931 1.00 0.00 N ATOM 86 C4 G A 6 8.721 1.484 -3.830 1.00 0.00 C ATOM 0 H5' G A 6 4.649 5.985 -4.071 1.00 0.00 H new ATOM 0 H5'' G A 6 5.810 5.305 -2.948 1.00 0.00 H new ATOM 0 H4' G A 6 6.614 6.362 -5.648 1.00 0.00 H new ATOM 0 H3' G A 6 5.284 3.730 -5.040 1.00 0.00 H new ATOM 0 H2' G A 6 6.896 2.375 -6.162 1.00 0.00 H new ATOM 0 HO2' G A 6 7.087 4.264 -7.857 1.00 0.00 H new ATOM 0 H1' G A 6 9.151 3.619 -5.384 1.00 0.00 H new ATOM 0 H8 G A 6 7.713 4.013 -2.091 1.00 0.00 H new ATOM 0 H1 G A 6 9.766 -1.956 -3.209 1.00 0.00 H new ATOM 0 H21 G A 6 9.857 -1.193 -6.579 1.00 0.00 H new ATOM 0 H22 G A 6 10.098 -2.376 -5.289 1.00 0.00 H new ATOM 98 P C A 7 3.753 4.108 -7.087 1.00 0.00 P ATOM 99 OP1 C A 7 3.261 4.646 -8.377 1.00 0.00 O ATOM 100 OP2 C A 7 2.887 4.317 -5.903 1.00 0.00 O ATOM 101 O5' C A 7 4.065 2.567 -7.225 1.00 0.00 O ATOM 102 C5' C A 7 4.682 1.975 -8.364 1.00 0.00 C ATOM 103 C4' C A 7 4.903 0.448 -8.192 1.00 0.00 C ATOM 104 O4' C A 7 6.087 0.136 -7.376 1.00 0.00 O ATOM 105 C3' C A 7 3.765 -0.254 -7.454 1.00 0.00 C ATOM 106 O3' C A 7 2.634 -0.480 -8.293 1.00 0.00 O ATOM 107 C2' C A 7 4.422 -1.507 -6.904 1.00 0.00 C ATOM 108 O2' C A 7 4.408 -2.618 -7.799 1.00 0.00 O ATOM 109 C1' C A 7 5.875 -1.105 -6.652 1.00 0.00 C ATOM 110 N1 C A 7 6.045 -0.991 -5.181 1.00 0.00 N ATOM 111 C2 C A 7 6.354 -2.172 -4.403 1.00 0.00 C ATOM 112 O2 C A 7 6.575 -3.280 -4.927 1.00 0.00 O ATOM 113 N3 C A 7 6.400 -2.052 -3.032 1.00 0.00 N ATOM 114 C4 C A 7 6.166 -0.865 -2.416 1.00 0.00 C ATOM 115 N4 C A 7 6.185 -0.783 -1.052 1.00 0.00 N ATOM 116 C5 C A 7 5.870 0.301 -3.231 1.00 0.00 C ATOM 117 C6 C A 7 5.824 0.192 -4.542 1.00 0.00 C ATOM 0 H5' C A 7 5.641 2.460 -8.547 1.00 0.00 H new ATOM 0 H5'' C A 7 4.062 2.153 -9.243 1.00 0.00 H new ATOM 0 H4' C A 7 4.995 0.102 -9.221 1.00 0.00 H new ATOM 0 H3' C A 7 3.329 0.340 -6.651 1.00 0.00 H new ATOM 0 H2' C A 7 3.878 -1.839 -6.020 1.00 0.00 H new ATOM 0 HO2' C A 7 3.921 -3.363 -7.388 1.00 0.00 H new ATOM 0 H1' C A 7 6.616 -1.823 -7.003 1.00 0.00 H new ATOM 0 H41 C A 7 6.009 0.110 -0.592 1.00 0.00 H new ATOM 0 H42 C A 7 6.375 -1.615 -0.494 1.00 0.00 H new ATOM 0 H5 C A 7 5.688 1.256 -2.761 1.00 0.00 H new ATOM 0 H6 C A 7 5.604 1.070 -5.131 1.00 0.00 H new ATOM 129 P U A 8 1.163 -0.722 -7.740 1.00 0.00 P ATOM 130 OP1 U A 8 0.223 -0.677 -8.886 1.00 0.00 O ATOM 131 OP2 U A 8 0.892 0.231 -6.642 1.00 0.00 O ATOM 132 O5' U A 8 1.227 -2.209 -7.139 1.00 0.00 O ATOM 133 C5' U A 8 1.321 -3.302 -8.058 1.00 0.00 C ATOM 134 C4' U A 8 1.637 -4.671 -7.405 1.00 0.00 C ATOM 135 O4' U A 8 2.874 -4.716 -6.656 1.00 0.00 O ATOM 136 C3' U A 8 0.574 -5.248 -6.490 1.00 0.00 C ATOM 137 O3' U A 8 -0.415 -5.879 -7.300 1.00 0.00 O ATOM 138 C2' U A 8 1.362 -6.257 -5.639 1.00 0.00 C ATOM 139 O2' U A 8 1.428 -7.574 -6.190 1.00 0.00 O ATOM 140 C1' U A 8 2.769 -5.648 -5.563 1.00 0.00 C ATOM 141 N1 U A 8 3.105 -5.003 -4.252 1.00 0.00 N ATOM 142 C2 U A 8 3.319 -5.845 -3.103 1.00 0.00 C ATOM 143 O2 U A 8 3.255 -7.082 -3.103 1.00 0.00 O ATOM 144 N3 U A 8 3.621 -5.144 -1.912 1.00 0.00 N ATOM 145 C4 U A 8 3.725 -3.734 -1.765 1.00 0.00 C ATOM 146 O4 U A 8 3.984 -3.217 -0.675 1.00 0.00 O ATOM 147 C5 U A 8 3.494 -2.983 -2.987 1.00 0.00 C ATOM 148 C6 U A 8 3.204 -3.623 -4.137 1.00 0.00 C ATOM 0 H5' U A 8 2.096 -3.077 -8.791 1.00 0.00 H new ATOM 0 H5'' U A 8 0.380 -3.383 -8.603 1.00 0.00 H new ATOM 0 H4' U A 8 1.701 -5.280 -8.307 1.00 0.00 H new ATOM 0 H3' U A 8 0.050 -4.523 -5.867 1.00 0.00 H new ATOM 0 H2' U A 8 0.874 -6.400 -4.675 1.00 0.00 H new ATOM 0 HO2' U A 8 0.792 -7.651 -6.931 1.00 0.00 H new ATOM 0 H1' U A 8 3.501 -6.452 -5.641 1.00 0.00 H new ATOM 0 H3 U A 8 3.780 -5.706 -1.076 1.00 0.00 H new ATOM 0 H5 U A 8 3.555 -1.905 -2.974 1.00 0.00 H new ATOM 0 H6 U A 8 3.039 -3.027 -5.022 1.00 0.00 H new ATOM 159 P G A 9 -1.966 -5.924 -7.075 1.00 0.00 P ATOM 160 OP1 G A 9 -2.554 -6.864 -8.059 1.00 0.00 O ATOM 161 OP2 G A 9 -2.494 -4.542 -7.098 1.00 0.00 O ATOM 162 O5' G A 9 -2.082 -6.525 -5.610 1.00 0.00 O ATOM 163 C5' G A 9 -1.931 -7.920 -5.353 1.00 0.00 C ATOM 164 C4' G A 9 -1.884 -8.256 -3.840 1.00 0.00 C ATOM 165 O4' G A 9 -0.629 -7.824 -3.216 1.00 0.00 O ATOM 166 C3' G A 9 -2.979 -7.590 -3.002 1.00 0.00 C ATOM 167 O3' G A 9 -4.214 -8.294 -3.116 1.00 0.00 O ATOM 168 C2' G A 9 -2.374 -7.591 -1.590 1.00 0.00 C ATOM 169 O2' G A 9 -2.573 -8.831 -0.906 1.00 0.00 O ATOM 170 C1' G A 9 -0.861 -7.373 -1.865 1.00 0.00 C ATOM 171 N9 G A 9 -0.352 -5.962 -1.716 1.00 0.00 N ATOM 172 C8 G A 9 -0.205 -5.004 -2.682 1.00 0.00 C ATOM 173 N7 G A 9 0.232 -3.847 -2.263 1.00 0.00 N ATOM 174 C5 G A 9 0.401 -4.013 -0.924 1.00 0.00 C ATOM 175 C6 G A 9 0.853 -3.070 0.003 1.00 0.00 C ATOM 176 O6 G A 9 1.167 -1.909 -0.269 1.00 0.00 O ATOM 177 N1 G A 9 0.903 -3.612 1.311 1.00 0.00 N ATOM 178 C2 G A 9 0.554 -4.923 1.672 1.00 0.00 C ATOM 179 N2 G A 9 0.736 -5.161 2.996 1.00 0.00 N ATOM 180 N3 G A 9 0.112 -5.816 0.737 1.00 0.00 N ATOM 181 C4 G A 9 0.057 -5.312 -0.527 1.00 0.00 C ATOM 0 H5' G A 9 -1.015 -8.274 -5.827 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.758 -8.460 -5.814 1.00 0.00 H new ATOM 0 H4' G A 9 -2.010 -9.339 -3.837 1.00 0.00 H new ATOM 0 H3' G A 9 -3.243 -6.581 -3.319 1.00 0.00 H new ATOM 0 H2' G A 9 -2.832 -6.838 -0.949 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.316 -8.731 0.034 1.00 0.00 H new ATOM 0 H1' G A 9 -0.313 -7.929 -1.105 1.00 0.00 H new ATOM 0 H8 G A 9 -0.435 -5.192 -3.720 1.00 0.00 H new ATOM 0 H1 G A 9 1.221 -2.994 2.058 1.00 0.00 H new ATOM 0 H21 G A 9 0.518 -6.079 3.384 1.00 0.00 H new ATOM 0 H22 G A 9 1.091 -4.422 3.603 1.00 0.00 H new ATOM 193 P A A 10 -5.491 -7.792 -3.930 1.00 0.00 P ATOM 194 OP1 A A 10 -6.219 -8.982 -4.427 1.00 0.00 O ATOM 195 OP2 A A 10 -5.096 -6.788 -4.946 1.00 0.00 O ATOM 196 O5' A A 10 -6.380 -7.054 -2.839 1.00 0.00 O ATOM 197 C5' A A 10 -6.840 -7.744 -1.678 1.00 0.00 C ATOM 198 C4' A A 10 -6.862 -6.826 -0.438 1.00 0.00 C ATOM 199 O4' A A 10 -7.042 -7.662 0.741 1.00 0.00 O ATOM 200 C3' A A 10 -5.571 -6.018 -0.199 1.00 0.00 C ATOM 201 O3' A A 10 -5.798 -4.617 -0.393 1.00 0.00 O ATOM 202 C2' A A 10 -5.074 -6.398 1.201 1.00 0.00 C ATOM 203 O2' A A 10 -4.807 -5.295 2.061 1.00 0.00 O ATOM 204 C1' A A 10 -6.185 -7.265 1.806 1.00 0.00 C ATOM 205 N9 A A 10 -5.683 -8.532 2.397 1.00 0.00 N ATOM 206 C8 A A 10 -4.895 -9.503 1.843 1.00 0.00 C ATOM 207 N7 A A 10 -4.647 -10.517 2.641 1.00 0.00 N ATOM 208 C5 A A 10 -5.310 -10.203 3.802 1.00 0.00 C ATOM 209 C6 A A 10 -5.410 -10.914 5.019 1.00 0.00 C ATOM 210 N6 A A 10 -4.777 -12.118 5.159 1.00 0.00 N ATOM 211 N1 A A 10 -6.168 -10.294 5.988 1.00 0.00 N ATOM 212 C2 A A 10 -6.738 -9.110 5.730 1.00 0.00 C ATOM 213 N3 A A 10 -6.702 -8.376 4.635 1.00 0.00 N ATOM 214 C4 A A 10 -5.959 -8.983 3.685 1.00 0.00 C ATOM 0 H5' A A 10 -6.195 -8.601 -1.485 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.842 -8.134 -1.860 1.00 0.00 H new ATOM 0 H4' A A 10 -7.667 -6.113 -0.616 1.00 0.00 H new ATOM 0 H3' A A 10 -4.791 -6.257 -0.922 1.00 0.00 H new ATOM 0 H2' A A 10 -4.115 -6.907 1.106 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.139 -4.711 1.646 1.00 0.00 H new ATOM 0 H1' A A 10 -6.666 -6.673 2.584 1.00 0.00 H new ATOM 0 H8 A A 10 -4.510 -9.442 0.836 1.00 0.00 H new ATOM 0 H61 A A 10 -4.848 -12.633 6.037 1.00 0.00 H new ATOM 0 H62 A A 10 -4.234 -12.501 4.386 1.00 0.00 H new ATOM 0 H2 A A 10 -7.315 -8.693 6.542 1.00 0.00 H new ATOM 226 P C A 11 -5.144 -3.836 -1.625 1.00 0.00 P ATOM 227 OP1 C A 11 -6.133 -3.764 -2.727 1.00 0.00 O ATOM 228 OP2 C A 11 -3.821 -4.408 -1.956 1.00 0.00 O ATOM 229 O5' C A 11 -4.882 -2.391 -1.031 1.00 0.00 O ATOM 230 C5' C A 11 -5.950 -1.502 -0.717 1.00 0.00 C ATOM 231 C4' C A 11 -5.647 -0.680 0.553 1.00 0.00 C ATOM 232 O4' C A 11 -6.814 0.089 0.958 1.00 0.00 O ATOM 233 C3' C A 11 -5.346 -1.540 1.776 1.00 0.00 C ATOM 234 O3' C A 11 -3.992 -1.303 2.130 1.00 0.00 O ATOM 235 C2' C A 11 -6.341 -1.140 2.865 1.00 0.00 C ATOM 236 O2' C A 11 -5.818 -1.166 4.190 1.00 0.00 O ATOM 237 C1' C A 11 -6.843 0.221 2.390 1.00 0.00 C ATOM 238 N1 C A 11 -8.240 0.463 2.899 1.00 0.00 N ATOM 239 C2 C A 11 -8.460 1.057 4.204 1.00 0.00 C ATOM 240 O2 C A 11 -7.518 1.401 4.947 1.00 0.00 O ATOM 241 N3 C A 11 -9.766 1.233 4.624 1.00 0.00 N ATOM 242 C4 C A 11 -10.824 0.865 3.847 1.00 0.00 C ATOM 243 N4 C A 11 -12.116 1.027 4.258 1.00 0.00 N ATOM 244 C5 C A 11 -10.583 0.277 2.548 1.00 0.00 C ATOM 245 C6 C A 11 -9.334 0.104 2.142 1.00 0.00 C ATOM 0 H5' C A 11 -6.868 -2.071 -0.573 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.122 -0.827 -1.556 1.00 0.00 H new ATOM 0 H4' C A 11 -4.787 -0.070 0.277 1.00 0.00 H new ATOM 0 H3' C A 11 -5.460 -2.610 1.603 1.00 0.00 H new ATOM 0 H2' C A 11 -7.152 -1.860 2.975 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.269 -0.487 4.733 1.00 0.00 H new ATOM 0 H1' C A 11 -6.250 1.064 2.745 1.00 0.00 H new ATOM 0 H41 C A 11 -12.884 0.741 3.651 1.00 0.00 H new ATOM 0 H42 C A 11 -12.313 1.434 5.172 1.00 0.00 H new ATOM 0 H5 C A 11 -11.409 -0.017 1.918 1.00 0.00 H new ATOM 0 H6 C A 11 -9.165 -0.339 1.172 1.00 0.00 H new ATOM 257 P A A 12 -2.809 -2.321 2.225 1.00 0.00 P ATOM 258 OP1 A A 12 -1.561 -1.530 2.343 1.00 0.00 O ATOM 259 OP2 A A 12 -2.878 -3.301 1.116 1.00 0.00 O ATOM 260 O5' A A 12 -3.136 -3.039 3.616 1.00 0.00 O ATOM 261 C5' A A 12 -2.083 -3.815 4.178 1.00 0.00 C ATOM 262 C4' A A 12 -2.557 -4.738 5.314 1.00 0.00 C ATOM 263 O4' A A 12 -3.389 -5.819 4.774 1.00 0.00 O ATOM 264 C3' A A 12 -1.374 -5.457 5.974 1.00 0.00 C ATOM 265 O3' A A 12 -0.838 -4.727 7.081 1.00 0.00 O ATOM 266 C2' A A 12 -1.929 -6.827 6.359 1.00 0.00 C ATOM 267 O2' A A 12 -2.579 -6.855 7.631 1.00 0.00 O ATOM 268 C1' A A 12 -2.918 -7.101 5.221 1.00 0.00 C ATOM 269 N9 A A 12 -2.384 -7.921 4.079 1.00 0.00 N ATOM 270 C8 A A 12 -2.169 -7.565 2.775 1.00 0.00 C ATOM 271 N7 A A 12 -1.728 -8.524 2.006 1.00 0.00 N ATOM 272 C5 A A 12 -1.631 -9.608 2.831 1.00 0.00 C ATOM 273 C6 A A 12 -1.213 -10.921 2.540 1.00 0.00 C ATOM 274 N6 A A 12 -0.856 -11.245 1.259 1.00 0.00 N ATOM 275 N1 A A 12 -1.227 -11.783 3.608 1.00 0.00 N ATOM 276 C2 A A 12 -1.623 -11.351 4.810 1.00 0.00 C ATOM 277 N3 A A 12 -2.039 -10.138 5.182 1.00 0.00 N ATOM 278 C4 A A 12 -2.021 -9.286 4.126 1.00 0.00 C ATOM 0 H5' A A 12 -1.310 -3.147 4.558 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.625 -4.418 3.394 1.00 0.00 H new ATOM 0 H4' A A 12 -3.093 -4.105 6.021 1.00 0.00 H new ATOM 0 H3' A A 12 -0.519 -5.550 5.304 1.00 0.00 H new ATOM 0 H2' A A 12 -1.142 -7.573 6.470 1.00 0.00 H new ATOM 0 HO2' A A 12 -2.351 -6.045 8.133 1.00 0.00 H new ATOM 0 H1' A A 12 -3.720 -7.728 5.612 1.00 0.00 H new ATOM 0 H8 A A 12 -2.351 -6.565 2.409 1.00 0.00 H new ATOM 0 H61 A A 12 -0.552 -12.193 1.039 1.00 0.00 H new ATOM 0 H62 A A 12 -0.894 -10.538 0.525 1.00 0.00 H new ATOM 0 H2 A A 12 -1.603 -12.092 5.595 1.00 0.00 H new ATOM 290 P A A 13 0.729 -4.507 7.269 1.00 0.00 P ATOM 291 OP1 A A 13 0.944 -3.653 8.460 1.00 0.00 O ATOM 292 OP2 A A 13 1.311 -4.028 5.995 1.00 0.00 O ATOM 293 O5' A A 13 1.294 -5.965 7.546 1.00 0.00 O ATOM 294 C5' A A 13 1.009 -6.683 8.743 1.00 0.00 C ATOM 295 C4' A A 13 1.360 -8.188 8.626 1.00 0.00 C ATOM 296 O4' A A 13 0.594 -8.827 7.550 1.00 0.00 O ATOM 297 C3' A A 13 2.825 -8.479 8.289 1.00 0.00 C ATOM 298 O3' A A 13 3.630 -8.555 9.469 1.00 0.00 O ATOM 299 C2' A A 13 2.766 -9.795 7.506 1.00 0.00 C ATOM 300 O2' A A 13 2.798 -10.963 8.331 1.00 0.00 O ATOM 301 C1' A A 13 1.427 -9.699 6.769 1.00 0.00 C ATOM 302 N9 A A 13 1.446 -9.299 5.327 1.00 0.00 N ATOM 303 C8 A A 13 1.086 -8.114 4.761 1.00 0.00 C ATOM 304 N7 A A 13 1.184 -8.073 3.459 1.00 0.00 N ATOM 305 C5 A A 13 1.643 -9.304 3.106 1.00 0.00 C ATOM 306 C6 A A 13 1.932 -9.816 1.828 1.00 0.00 C ATOM 307 N6 A A 13 1.741 -9.032 0.719 1.00 0.00 N ATOM 308 N1 A A 13 2.385 -11.112 1.819 1.00 0.00 N ATOM 309 C2 A A 13 2.518 -11.783 2.968 1.00 0.00 C ATOM 310 N3 A A 13 2.270 -11.387 4.220 1.00 0.00 N ATOM 311 C4 A A 13 1.824 -10.104 4.227 1.00 0.00 C ATOM 0 H5' A A 13 -0.049 -6.577 8.984 1.00 0.00 H new ATOM 0 H5'' A A 13 1.570 -6.245 9.569 1.00 0.00 H new ATOM 0 H4' A A 13 1.125 -8.578 9.616 1.00 0.00 H new ATOM 0 H3' A A 13 3.298 -7.690 7.705 1.00 0.00 H new ATOM 0 H2' A A 13 3.635 -9.907 6.858 1.00 0.00 H new ATOM 0 HO2' A A 13 3.067 -10.714 9.240 1.00 0.00 H new ATOM 0 H1' A A 13 1.042 -10.716 6.692 1.00 0.00 H new ATOM 0 H8 A A 13 0.745 -7.272 5.345 1.00 0.00 H new ATOM 0 H61 A A 13 1.950 -9.401 -0.209 1.00 0.00 H new ATOM 0 H62 A A 13 1.390 -8.080 0.822 1.00 0.00 H new ATOM 0 H2 A A 13 2.880 -12.796 2.869 1.00 0.00 H new ATOM 323 P A A 14 5.191 -8.259 9.442 1.00 0.00 P ATOM 324 OP1 A A 14 5.726 -8.498 10.801 1.00 0.00 O ATOM 325 OP2 A A 14 5.415 -6.909 8.866 1.00 0.00 O ATOM 326 O5' A A 14 5.739 -9.422 8.486 1.00 0.00 O ATOM 327 C5' A A 14 6.562 -9.108 7.374 1.00 0.00 C ATOM 328 C4' A A 14 6.701 -10.279 6.367 1.00 0.00 C ATOM 329 O4' A A 14 5.467 -10.520 5.598 1.00 0.00 O ATOM 330 C3' A A 14 7.748 -9.936 5.316 1.00 0.00 C ATOM 331 O3' A A 14 9.019 -10.429 5.741 1.00 0.00 O ATOM 332 C2' A A 14 7.214 -10.538 4.009 1.00 0.00 C ATOM 333 O2' A A 14 7.621 -11.888 3.795 1.00 0.00 O ATOM 334 C1' A A 14 5.693 -10.412 4.180 1.00 0.00 C ATOM 335 N9 A A 14 5.106 -9.127 3.649 1.00 0.00 N ATOM 336 C8 A A 14 4.600 -8.080 4.359 1.00 0.00 C ATOM 337 N7 A A 14 4.187 -7.065 3.648 1.00 0.00 N ATOM 338 C5 A A 14 4.422 -7.443 2.357 1.00 0.00 C ATOM 339 C6 A A 14 4.174 -6.743 1.161 1.00 0.00 C ATOM 340 N6 A A 14 3.630 -5.493 1.215 1.00 0.00 N ATOM 341 N1 A A 14 4.525 -7.403 0.013 1.00 0.00 N ATOM 342 C2 A A 14 5.062 -8.626 0.089 1.00 0.00 C ATOM 343 N3 A A 14 5.337 -9.372 1.166 1.00 0.00 N ATOM 344 C4 A A 14 4.988 -8.712 2.301 1.00 0.00 C ATOM 0 H5' A A 14 7.552 -8.825 7.731 1.00 0.00 H new ATOM 0 H5'' A A 14 6.150 -8.241 6.858 1.00 0.00 H new ATOM 0 H4' A A 14 6.957 -11.152 6.968 1.00 0.00 H new ATOM 0 H3' A A 14 7.909 -8.869 5.165 1.00 0.00 H new ATOM 0 H2' A A 14 7.601 -10.026 3.128 1.00 0.00 H new ATOM 0 HO2' A A 14 8.356 -12.109 4.405 1.00 0.00 H new ATOM 0 H1' A A 14 5.196 -11.188 3.597 1.00 0.00 H new ATOM 0 H8 A A 14 4.544 -8.089 5.438 1.00 0.00 H new ATOM 0 H61 A A 14 3.447 -4.979 0.353 1.00 0.00 H new ATOM 0 H62 A A 14 3.406 -5.073 2.117 1.00 0.00 H new ATOM 0 H2 A A 14 5.311 -9.079 -0.860 1.00 0.00 H new ATOM 356 P G A 15 10.398 -9.803 5.296 1.00 0.00 P ATOM 357 OP1 G A 15 11.472 -10.409 6.114 1.00 0.00 O ATOM 358 OP2 G A 15 10.302 -8.321 5.307 1.00 0.00 O ATOM 359 O5' G A 15 10.505 -10.387 3.824 1.00 0.00 O ATOM 360 C5' G A 15 10.820 -9.566 2.716 1.00 0.00 C ATOM 361 C4' G A 15 10.363 -10.235 1.407 1.00 0.00 C ATOM 362 O4' G A 15 8.917 -10.105 1.197 1.00 0.00 O ATOM 363 C3' G A 15 11.013 -9.583 0.192 1.00 0.00 C ATOM 364 O3' G A 15 12.190 -10.302 -0.179 1.00 0.00 O ATOM 365 C2' G A 15 9.916 -9.599 -0.873 1.00 0.00 C ATOM 366 O2' G A 15 9.898 -10.779 -1.676 1.00 0.00 O ATOM 367 C1' G A 15 8.639 -9.452 -0.047 1.00 0.00 C ATOM 368 N9 G A 15 8.159 -8.048 0.204 1.00 0.00 N ATOM 369 C8 G A 15 7.983 -7.422 1.401 1.00 0.00 C ATOM 370 N7 G A 15 7.565 -6.179 1.320 1.00 0.00 N ATOM 371 C5 G A 15 7.445 -5.943 -0.025 1.00 0.00 C ATOM 372 C6 G A 15 7.031 -4.765 -0.679 1.00 0.00 C ATOM 373 O6 G A 15 6.711 -3.702 -0.130 1.00 0.00 O ATOM 374 N1 G A 15 7.040 -4.934 -2.096 1.00 0.00 N ATOM 375 C2 G A 15 7.408 -6.104 -2.791 1.00 0.00 C ATOM 376 N2 G A 15 7.320 -5.977 -4.143 1.00 0.00 N ATOM 377 N3 G A 15 7.802 -7.213 -2.115 1.00 0.00 N ATOM 378 C4 G A 15 7.802 -7.081 -0.761 1.00 0.00 C ATOM 0 H5' G A 15 11.894 -9.384 2.683 1.00 0.00 H new ATOM 0 H5'' G A 15 10.336 -8.596 2.825 1.00 0.00 H new ATOM 0 H4' G A 15 10.652 -11.281 1.506 1.00 0.00 H new ATOM 0 H3' G A 15 11.359 -8.564 0.364 1.00 0.00 H new ATOM 0 H2' G A 15 10.059 -8.810 -1.612 1.00 0.00 H new ATOM 0 HO2' G A 15 10.731 -11.278 -1.544 1.00 0.00 H new ATOM 0 H1' G A 15 7.820 -9.891 -0.617 1.00 0.00 H new ATOM 0 H8 G A 15 8.173 -7.911 2.345 1.00 0.00 H new ATOM 0 H1 G A 15 6.753 -4.133 -2.659 1.00 0.00 H new ATOM 0 H21 G A 15 7.563 -6.763 -4.746 1.00 0.00 H new ATOM 0 H22 G A 15 7.011 -5.096 -4.553 1.00 0.00 H new ATOM 390 P C A 16 13.598 -9.610 -0.404 1.00 0.00 P ATOM 391 OP1 C A 16 14.621 -10.666 -0.581 1.00 0.00 O ATOM 392 OP2 C A 16 13.845 -8.621 0.671 1.00 0.00 O ATOM 393 O5' C A 16 13.386 -8.828 -1.765 1.00 0.00 O ATOM 394 C5' C A 16 13.269 -9.508 -3.011 1.00 0.00 C ATOM 395 C4' C A 16 12.772 -8.578 -4.142 1.00 0.00 C ATOM 396 O4' C A 16 11.377 -8.149 -3.928 1.00 0.00 O ATOM 397 C3' C A 16 13.547 -7.261 -4.277 1.00 0.00 C ATOM 398 O3' C A 16 14.792 -7.417 -4.960 1.00 0.00 O ATOM 399 C2' C A 16 12.538 -6.375 -4.995 1.00 0.00 C ATOM 400 O2' C A 16 12.451 -6.589 -6.404 1.00 0.00 O ATOM 401 C1' C A 16 11.236 -6.747 -4.258 1.00 0.00 C ATOM 402 N1 C A 16 10.903 -5.892 -3.045 1.00 0.00 N ATOM 403 C2 C A 16 10.480 -4.527 -3.270 1.00 0.00 C ATOM 404 O2 C A 16 10.370 -4.040 -4.411 1.00 0.00 O ATOM 405 N3 C A 16 10.187 -3.744 -2.175 1.00 0.00 N ATOM 406 C4 C A 16 10.282 -4.212 -0.906 1.00 0.00 C ATOM 407 N4 C A 16 9.989 -3.419 0.167 1.00 0.00 N ATOM 408 C5 C A 16 10.701 -5.572 -0.672 1.00 0.00 C ATOM 409 C6 C A 16 10.990 -6.348 -1.729 1.00 0.00 C ATOM 0 H5' C A 16 12.579 -10.345 -2.902 1.00 0.00 H new ATOM 0 H5'' C A 16 14.237 -9.926 -3.287 1.00 0.00 H new ATOM 0 H4' C A 16 12.906 -9.195 -5.030 1.00 0.00 H new ATOM 0 H3' C A 16 13.873 -6.836 -3.328 1.00 0.00 H new ATOM 0 H2' C A 16 12.802 -5.318 -4.955 1.00 0.00 H new ATOM 0 HO2' C A 16 13.263 -7.040 -6.717 1.00 0.00 H new ATOM 0 H1' C A 16 10.381 -6.552 -4.905 1.00 0.00 H new ATOM 0 H41 C A 16 10.067 -3.792 1.113 1.00 0.00 H new ATOM 0 H42 C A 16 9.692 -2.454 0.022 1.00 0.00 H new ATOM 0 H5 C A 16 10.781 -5.959 0.333 1.00 0.00 H new ATOM 0 H6 C A 16 11.303 -7.367 -1.553 1.00 0.00 H new ATOM 421 P G A 17 16.050 -6.476 -4.676 1.00 0.00 P ATOM 422 OP1 G A 17 17.251 -7.118 -5.261 1.00 0.00 O ATOM 423 OP2 G A 17 16.118 -6.146 -3.233 1.00 0.00 O ATOM 424 O5' G A 17 15.710 -5.138 -5.476 1.00 0.00 O ATOM 425 C5' G A 17 15.700 -5.143 -6.905 1.00 0.00 C ATOM 426 C4' G A 17 15.060 -3.874 -7.511 1.00 0.00 C ATOM 427 O4' G A 17 13.721 -3.627 -6.958 1.00 0.00 O ATOM 428 C3' G A 17 15.822 -2.563 -7.267 1.00 0.00 C ATOM 429 O3' G A 17 16.898 -2.388 -8.190 1.00 0.00 O ATOM 430 C2' G A 17 14.721 -1.512 -7.426 1.00 0.00 C ATOM 431 O2' G A 17 14.404 -1.214 -8.789 1.00 0.00 O ATOM 432 C1' G A 17 13.536 -2.214 -6.736 1.00 0.00 C ATOM 433 N9 G A 17 13.256 -1.900 -5.296 1.00 0.00 N ATOM 434 C8 G A 17 13.282 -2.717 -4.200 1.00 0.00 C ATOM 435 N7 G A 17 12.963 -2.143 -3.072 1.00 0.00 N ATOM 436 C5 G A 17 12.701 -0.850 -3.409 1.00 0.00 C ATOM 437 C6 G A 17 12.311 0.195 -2.570 1.00 0.00 C ATOM 438 O6 G A 17 12.138 0.102 -1.350 1.00 0.00 O ATOM 439 N1 G A 17 12.132 1.403 -3.296 1.00 0.00 N ATOM 440 C2 G A 17 12.311 1.574 -4.683 1.00 0.00 C ATOM 441 N2 G A 17 12.067 2.848 -5.099 1.00 0.00 N ATOM 442 N3 G A 17 12.691 0.525 -5.461 1.00 0.00 N ATOM 443 C4 G A 17 12.868 -0.644 -4.782 1.00 0.00 C ATOM 0 H5' G A 17 15.156 -6.020 -7.256 1.00 0.00 H new ATOM 0 H5'' G A 17 16.723 -5.236 -7.269 1.00 0.00 H new ATOM 0 H4' G A 17 15.061 -4.104 -8.576 1.00 0.00 H new ATOM 0 H3' G A 17 16.316 -2.516 -6.296 1.00 0.00 H new ATOM 0 H2' G A 17 15.002 -0.544 -7.011 1.00 0.00 H new ATOM 0 HO2' G A 17 15.146 -1.492 -9.366 1.00 0.00 H new ATOM 0 H1' G A 17 12.631 -1.813 -7.192 1.00 0.00 H new ATOM 0 H8 G A 17 13.547 -3.762 -4.263 1.00 0.00 H new ATOM 0 H1 G A 17 11.847 2.224 -2.763 1.00 0.00 H new ATOM 0 H21 G A 17 12.165 3.090 -6.085 1.00 0.00 H new ATOM 0 H22 G A 17 11.786 3.560 -4.424 1.00 0.00 H new ATOM 455 P C A 18 18.272 -1.705 -7.774 1.00 0.00 P ATOM 456 OP1 C A 18 19.190 -1.748 -8.937 1.00 0.00 O ATOM 457 OP2 C A 18 18.767 -2.322 -6.520 1.00 0.00 O ATOM 458 O5' C A 18 17.866 -0.202 -7.462 1.00 0.00 O ATOM 459 C5' C A 18 17.524 0.729 -8.485 1.00 0.00 C ATOM 460 C4' C A 18 17.077 2.101 -7.912 1.00 0.00 C ATOM 461 O4' C A 18 15.850 1.982 -7.123 1.00 0.00 O ATOM 462 C3' C A 18 18.090 2.752 -6.975 1.00 0.00 C ATOM 463 O3' C A 18 19.055 3.535 -7.675 1.00 0.00 O ATOM 464 C2' C A 18 17.255 3.536 -5.962 1.00 0.00 C ATOM 465 O2' C A 18 17.037 4.904 -6.302 1.00 0.00 O ATOM 466 C1' C A 18 15.922 2.769 -5.915 1.00 0.00 C ATOM 467 N1 C A 18 15.750 1.965 -4.663 1.00 0.00 N ATOM 468 C2 C A 18 15.425 2.618 -3.408 1.00 0.00 C ATOM 469 O2 C A 18 15.268 3.852 -3.312 1.00 0.00 O ATOM 470 N3 C A 18 15.283 1.827 -2.283 1.00 0.00 N ATOM 471 C4 C A 18 15.442 0.475 -2.345 1.00 0.00 C ATOM 472 N4 C A 18 15.308 -0.326 -1.247 1.00 0.00 N ATOM 473 C5 C A 18 15.762 -0.149 -3.603 1.00 0.00 C ATOM 474 C6 C A 18 15.901 0.608 -4.685 1.00 0.00 C ATOM 0 H5' C A 18 16.722 0.315 -9.096 1.00 0.00 H new ATOM 0 H5'' C A 18 18.382 0.875 -9.141 1.00 0.00 H new ATOM 0 H4' C A 18 16.948 2.714 -8.804 1.00 0.00 H new ATOM 0 H3' C A 18 18.709 2.016 -6.462 1.00 0.00 H new ATOM 0 H2' C A 18 17.775 3.593 -5.006 1.00 0.00 H new ATOM 0 HO2' C A 18 17.666 5.171 -7.005 1.00 0.00 H new ATOM 0 HO3' C A 18 19.681 3.933 -7.034 1.00 0.00 H new ATOM 0 H1' C A 18 15.084 3.466 -5.877 1.00 0.00 H new ATOM 0 H41 C A 18 15.435 -1.334 -1.333 1.00 0.00 H new ATOM 0 H42 C A 18 15.081 0.084 -0.341 1.00 0.00 H new ATOM 0 H5 C A 18 15.887 -1.220 -3.666 1.00 0.00 H new ATOM 0 H6 C A 18 16.144 0.130 -5.623 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.141 1.382 5.434 1.00 0.00 N ATOM 489 CA ASN B 1 9.621 1.566 4.045 1.00 0.00 C ATOM 490 C ASN B 1 8.373 2.442 3.966 1.00 0.00 C ATOM 491 O ASN B 1 7.758 2.758 4.990 1.00 0.00 O ATOM 492 CB ASN B 1 9.460 0.169 3.337 1.00 0.00 C ATOM 493 CG ASN B 1 8.233 -0.654 3.784 1.00 0.00 C ATOM 494 OD1 ASN B 1 8.062 -0.982 4.965 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.367 -1.001 2.781 1.00 0.00 N ATOM 0 H1 ASN B 1 11.094 1.792 5.505 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.508 1.858 6.108 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.184 0.367 5.657 1.00 0.00 H new ATOM 0 HA ASN B 1 10.365 2.135 3.488 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.398 0.330 2.261 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.359 -0.419 3.520 1.00 0.00 H new ATOM 0 HD21 ASN B 1 6.537 -1.554 2.993 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.552 -0.706 1.822 1.00 0.00 H new ATOM 503 N ALA B 2 7.982 2.848 2.717 1.00 0.00 N ATOM 504 CA ALA B 2 6.823 3.668 2.430 1.00 0.00 C ATOM 505 C ALA B 2 5.630 2.744 2.297 1.00 0.00 C ATOM 506 O ALA B 2 5.363 2.167 1.238 1.00 0.00 O ATOM 507 CB ALA B 2 6.962 4.603 1.212 1.00 0.00 C ATOM 0 H ALA B 2 8.500 2.590 1.877 1.00 0.00 H new ATOM 0 HA ALA B 2 6.698 4.364 3.260 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.041 5.172 1.083 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.793 5.289 1.373 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.150 4.009 0.317 1.00 0.00 H new ATOM 513 N LYS B 3 4.923 2.595 3.445 1.00 0.00 N ATOM 514 CA LYS B 3 3.726 1.813 3.675 1.00 0.00 C ATOM 515 C LYS B 3 2.527 2.748 3.548 1.00 0.00 C ATOM 516 O LYS B 3 1.771 2.634 2.584 1.00 0.00 O ATOM 517 CB LYS B 3 3.730 1.057 5.052 1.00 0.00 C ATOM 518 CG LYS B 3 4.488 -0.294 5.091 1.00 0.00 C ATOM 519 CD LYS B 3 3.749 -1.459 4.390 1.00 0.00 C ATOM 520 CE LYS B 3 4.441 -2.831 4.475 1.00 0.00 C ATOM 521 NZ LYS B 3 3.535 -3.860 3.925 1.00 0.00 N ATOM 0 H LYS B 3 5.220 3.070 4.298 1.00 0.00 H new ATOM 0 HA LYS B 3 3.675 1.022 2.927 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.166 1.716 5.803 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.696 0.878 5.347 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.463 -0.164 4.622 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.668 -0.567 6.131 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.753 -1.547 4.823 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.618 -1.202 3.339 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.377 -2.816 3.917 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.691 -3.063 5.510 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.071 -4.732 3.741 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 2.777 -4.057 4.609 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.118 -3.516 3.036 1.00 0.00 H new ATOM 535 N THR B 4 2.346 3.701 4.519 1.00 0.00 N ATOM 536 CA THR B 4 1.260 4.679 4.614 1.00 0.00 C ATOM 537 C THR B 4 1.251 5.700 3.483 1.00 0.00 C ATOM 538 O THR B 4 0.178 6.019 2.967 1.00 0.00 O ATOM 539 CB THR B 4 1.127 5.402 5.973 1.00 0.00 C ATOM 540 OG1 THR B 4 2.362 5.965 6.414 1.00 0.00 O ATOM 541 CG2 THR B 4 0.559 4.449 7.058 1.00 0.00 C ATOM 0 H THR B 4 3.005 3.794 5.292 1.00 0.00 H new ATOM 0 HA THR B 4 0.381 4.042 4.516 1.00 0.00 H new ATOM 0 HB THR B 4 0.427 6.224 5.819 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.228 6.413 7.275 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.476 4.984 8.004 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.426 4.096 6.753 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.228 3.597 7.180 1.00 0.00 H new ATOM 549 N ARG B 5 2.444 6.220 3.073 1.00 0.00 N ATOM 550 CA ARG B 5 2.653 7.194 2.019 1.00 0.00 C ATOM 551 C ARG B 5 2.048 6.743 0.677 1.00 0.00 C ATOM 552 O ARG B 5 1.297 7.520 0.081 1.00 0.00 O ATOM 553 CB ARG B 5 4.167 7.570 1.940 1.00 0.00 C ATOM 554 CG ARG B 5 4.504 8.956 1.345 1.00 0.00 C ATOM 555 CD ARG B 5 4.131 10.164 2.222 1.00 0.00 C ATOM 556 NE ARG B 5 4.648 11.418 1.555 1.00 0.00 N ATOM 557 CZ ARG B 5 5.435 12.383 2.134 1.00 0.00 C ATOM 558 NH1 ARG B 5 5.860 12.321 3.430 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.808 13.458 1.375 1.00 0.00 N ATOM 0 H ARG B 5 3.322 5.938 3.510 1.00 0.00 H new ATOM 0 HA ARG B 5 2.109 8.106 2.265 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.584 7.520 2.946 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.676 6.811 1.346 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.574 8.994 1.142 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.994 9.054 0.387 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.050 10.221 2.349 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.564 10.058 3.217 1.00 0.00 H new ATOM 0 HE ARG B 5 4.387 11.561 0.580 1.00 0.00 H new ATOM 0 HH11 ARG B 5 5.594 11.530 4.017 1.00 0.00 H new ATOM 0 HH12 ARG B 5 6.444 13.065 3.811 1.00 0.00 H new ATOM 0 HH21 ARG B 5 5.502 13.528 0.405 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.392 14.190 1.779 1.00 0.00 H new ATOM 573 N ARG B 6 2.313 5.473 0.214 1.00 0.00 N ATOM 574 CA ARG B 6 1.743 4.870 -0.994 1.00 0.00 C ATOM 575 C ARG B 6 0.252 4.568 -0.789 1.00 0.00 C ATOM 576 O ARG B 6 -0.568 4.948 -1.630 1.00 0.00 O ATOM 577 CB ARG B 6 2.482 3.603 -1.551 1.00 0.00 C ATOM 578 CG ARG B 6 2.558 2.357 -0.628 1.00 0.00 C ATOM 579 CD ARG B 6 3.176 1.095 -1.254 1.00 0.00 C ATOM 580 NE ARG B 6 2.142 0.252 -1.972 1.00 0.00 N ATOM 581 CZ ARG B 6 1.972 0.149 -3.331 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.507 1.041 -4.213 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.264 -0.919 -3.823 1.00 0.00 N ATOM 0 H ARG B 6 2.950 4.843 0.702 1.00 0.00 H new ATOM 0 HA ARG B 6 1.885 5.628 -1.765 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.990 3.306 -2.477 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.500 3.893 -1.809 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.136 2.620 0.258 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.550 2.116 -0.291 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.958 1.384 -1.956 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.651 0.499 -0.475 1.00 0.00 H new ATOM 0 HE ARG B 6 1.509 -0.294 -1.388 1.00 0.00 H new ATOM 0 HH11 ARG B 6 3.061 1.826 -3.871 1.00 0.00 H new ATOM 0 HH12 ARG B 6 2.353 0.923 -5.214 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.878 -1.613 -3.183 1.00 0.00 H new ATOM 0 HH22 ARG B 6 1.124 -1.018 -4.828 1.00 0.00 H new ATOM 597 N HIS B 7 -0.106 3.881 0.350 1.00 0.00 N ATOM 598 CA HIS B 7 -1.417 3.466 0.815 1.00 0.00 C ATOM 599 C HIS B 7 -2.464 4.548 0.636 1.00 0.00 C ATOM 600 O HIS B 7 -3.482 4.255 0.032 1.00 0.00 O ATOM 601 CB HIS B 7 -1.363 2.982 2.293 1.00 0.00 C ATOM 602 CG HIS B 7 -2.670 2.652 2.956 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.014 1.383 3.328 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.644 3.476 3.412 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.159 1.439 3.988 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.559 2.698 4.061 1.00 0.00 N ATOM 0 H HIS B 7 0.615 3.590 1.011 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.719 2.625 0.191 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.730 2.096 2.335 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.870 3.754 2.884 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.688 4.548 3.286 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.684 0.591 4.402 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.406 3.030 4.523 1.00 0.00 H new ATOM 615 N GLU B 8 -2.234 5.800 1.135 1.00 0.00 N ATOM 616 CA GLU B 8 -3.078 6.987 1.075 1.00 0.00 C ATOM 617 C GLU B 8 -3.965 7.096 -0.186 1.00 0.00 C ATOM 618 O GLU B 8 -5.186 7.204 -0.051 1.00 0.00 O ATOM 619 CB GLU B 8 -2.206 8.272 1.307 1.00 0.00 C ATOM 620 CG GLU B 8 -2.912 9.469 1.996 1.00 0.00 C ATOM 621 CD GLU B 8 -3.989 10.126 1.125 1.00 0.00 C ATOM 622 OE1 GLU B 8 -3.640 10.689 0.053 1.00 0.00 O ATOM 623 OE2 GLU B 8 -5.180 10.083 1.538 1.00 0.00 O ATOM 0 H GLU B 8 -1.366 5.999 1.632 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.802 6.891 1.884 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.340 7.994 1.908 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.829 8.608 0.341 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.366 9.127 2.926 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -2.165 10.217 2.263 1.00 0.00 H new ATOM 630 N ARG B 9 -3.373 7.035 -1.425 1.00 0.00 N ATOM 631 CA ARG B 9 -4.046 7.097 -2.727 1.00 0.00 C ATOM 632 C ARG B 9 -4.759 5.783 -3.063 1.00 0.00 C ATOM 633 O ARG B 9 -5.947 5.807 -3.383 1.00 0.00 O ATOM 634 CB ARG B 9 -3.111 7.470 -3.928 1.00 0.00 C ATOM 635 CG ARG B 9 -2.391 8.846 -3.889 1.00 0.00 C ATOM 636 CD ARG B 9 -1.139 8.976 -2.987 1.00 0.00 C ATOM 637 NE ARG B 9 -0.024 8.087 -3.499 1.00 0.00 N ATOM 638 CZ ARG B 9 1.318 8.278 -3.280 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.808 9.325 -2.555 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.203 7.378 -3.810 1.00 0.00 N ATOM 0 H ARG B 9 -2.363 6.936 -1.524 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.767 7.906 -2.607 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.348 6.696 -4.011 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.706 7.430 -4.840 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.099 9.101 -4.908 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -3.115 9.595 -3.568 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.805 10.013 -2.965 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.391 8.701 -1.963 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.294 7.276 -4.055 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.168 10.008 -2.149 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.814 9.425 -2.419 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.861 6.586 -4.354 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.205 7.499 -3.661 1.00 0.00 H new ATOM 654 N ARG B 10 -4.054 4.611 -2.983 1.00 0.00 N ATOM 655 CA ARG B 10 -4.540 3.248 -3.231 1.00 0.00 C ATOM 656 C ARG B 10 -5.801 2.937 -2.401 1.00 0.00 C ATOM 657 O ARG B 10 -6.769 2.399 -2.939 1.00 0.00 O ATOM 658 CB ARG B 10 -3.369 2.248 -2.950 1.00 0.00 C ATOM 659 CG ARG B 10 -3.564 0.759 -3.322 1.00 0.00 C ATOM 660 CD ARG B 10 -2.294 -0.080 -3.058 1.00 0.00 C ATOM 661 NE ARG B 10 -2.560 -1.538 -3.342 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.113 -2.264 -4.415 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.452 -1.707 -5.466 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.345 -3.609 -4.389 1.00 0.00 N ATOM 0 H ARG B 10 -3.067 4.613 -2.725 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.846 3.145 -4.272 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.489 2.610 -3.482 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.140 2.296 -1.885 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.394 0.349 -2.747 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.836 0.682 -4.375 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.478 0.277 -3.686 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.977 0.044 -2.022 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.134 -2.037 -2.662 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.268 -0.704 -5.479 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.140 -2.293 -6.241 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.831 -4.028 -3.596 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.033 -4.195 -5.163 1.00 0.00 H new ATOM 678 N ARG B 11 -5.819 3.328 -1.088 1.00 0.00 N ATOM 679 CA ARG B 11 -6.862 3.264 -0.083 1.00 0.00 C ATOM 680 C ARG B 11 -8.128 3.883 -0.653 1.00 0.00 C ATOM 681 O ARG B 11 -9.119 3.167 -0.713 1.00 0.00 O ATOM 682 CB ARG B 11 -6.389 3.936 1.232 1.00 0.00 C ATOM 683 CG ARG B 11 -7.333 3.828 2.436 1.00 0.00 C ATOM 684 CD ARG B 11 -7.187 4.955 3.459 1.00 0.00 C ATOM 685 NE ARG B 11 -8.013 4.558 4.656 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.097 5.229 5.849 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.463 6.415 6.081 1.00 0.00 N ATOM 688 NH2 ARG B 11 -8.854 4.669 6.840 1.00 0.00 N ATOM 0 H ARG B 11 -4.979 3.746 -0.687 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.086 2.229 0.175 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.429 3.501 1.511 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.213 4.993 1.031 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.361 3.813 2.075 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.157 2.876 2.936 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.142 5.093 3.737 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.534 5.902 3.045 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.565 3.705 4.570 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -6.895 6.841 5.349 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.557 6.875 6.986 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.332 3.782 6.678 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.941 5.138 7.742 1.00 0.00 H new ATOM 702 N LYS B 12 -8.120 5.182 -1.112 1.00 0.00 N ATOM 703 CA LYS B 12 -9.234 5.910 -1.734 1.00 0.00 C ATOM 704 C LYS B 12 -10.016 5.026 -2.714 1.00 0.00 C ATOM 705 O LYS B 12 -11.221 4.840 -2.535 1.00 0.00 O ATOM 706 CB LYS B 12 -8.805 7.240 -2.443 1.00 0.00 C ATOM 707 CG LYS B 12 -8.229 8.350 -1.530 1.00 0.00 C ATOM 708 CD LYS B 12 -7.688 9.572 -2.308 1.00 0.00 C ATOM 709 CE LYS B 12 -7.002 10.630 -1.427 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.489 11.752 -2.248 1.00 0.00 N ATOM 0 H LYS B 12 -7.282 5.759 -1.044 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.883 6.187 -0.904 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.059 6.999 -3.200 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.672 7.643 -2.967 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.006 8.683 -0.842 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.426 7.930 -0.925 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.978 9.225 -3.058 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.513 10.042 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.709 11.008 -0.689 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.180 10.172 -0.876 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -6.031 12.453 -1.631 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.797 11.391 -2.936 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.279 12.201 -2.754 1.00 0.00 H new ATOM 724 N LEU B 13 -9.319 4.433 -3.731 1.00 0.00 N ATOM 725 CA LEU B 13 -9.839 3.531 -4.749 1.00 0.00 C ATOM 726 C LEU B 13 -10.389 2.232 -4.191 1.00 0.00 C ATOM 727 O LEU B 13 -11.538 1.898 -4.480 1.00 0.00 O ATOM 728 CB LEU B 13 -8.869 3.287 -5.921 1.00 0.00 C ATOM 729 CG LEU B 13 -8.603 4.549 -6.807 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.833 5.475 -7.082 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.337 5.328 -6.363 1.00 0.00 C ATOM 0 H LEU B 13 -8.319 4.597 -3.848 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.690 4.070 -5.166 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.919 2.929 -5.523 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.270 2.493 -6.551 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.399 4.130 -7.792 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.525 6.314 -7.706 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.609 4.907 -7.596 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -10.224 5.850 -6.136 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.197 6.194 -7.010 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.457 5.661 -5.332 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.466 4.677 -6.435 1.00 0.00 H new ATOM 743 N ALA B 14 -9.597 1.498 -3.356 1.00 0.00 N ATOM 744 CA ALA B 14 -9.960 0.259 -2.681 1.00 0.00 C ATOM 745 C ALA B 14 -11.249 0.418 -1.905 1.00 0.00 C ATOM 746 O ALA B 14 -12.149 -0.412 -2.072 1.00 0.00 O ATOM 747 CB ALA B 14 -8.889 -0.233 -1.695 1.00 0.00 C ATOM 0 H ALA B 14 -8.643 1.787 -3.138 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.069 -0.475 -3.479 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.223 -1.159 -1.227 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.957 -0.412 -2.230 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.727 0.523 -0.927 1.00 0.00 H new ATOM 753 N ILE B 15 -11.372 1.517 -1.078 1.00 0.00 N ATOM 754 CA ILE B 15 -12.556 1.841 -0.317 1.00 0.00 C ATOM 755 C ILE B 15 -13.714 1.985 -1.298 1.00 0.00 C ATOM 756 O ILE B 15 -14.665 1.216 -1.190 1.00 0.00 O ATOM 757 CB ILE B 15 -12.593 3.039 0.667 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.344 3.278 1.567 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.842 2.838 1.564 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.903 4.730 1.471 1.00 0.00 C ATOM 0 H ILE B 15 -10.617 2.190 -0.946 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.603 1.005 0.380 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.617 3.933 0.044 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.578 3.028 2.602 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.531 2.621 1.257 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -13.914 3.659 2.277 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.737 2.818 0.942 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.754 1.895 2.104 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.029 4.887 2.103 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.650 4.966 0.437 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.713 5.379 1.803 1.00 0.00 H new ATOM 772 N GLU B 16 -13.625 2.971 -2.249 1.00 0.00 N ATOM 773 CA GLU B 16 -14.609 3.328 -3.252 1.00 0.00 C ATOM 774 C GLU B 16 -15.281 2.118 -3.922 1.00 0.00 C ATOM 775 O GLU B 16 -16.511 2.077 -3.979 1.00 0.00 O ATOM 776 CB GLU B 16 -14.009 4.303 -4.338 1.00 0.00 C ATOM 777 CG GLU B 16 -15.030 4.950 -5.309 1.00 0.00 C ATOM 778 CD GLU B 16 -14.317 5.468 -6.561 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.696 6.564 -6.501 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.390 4.755 -7.598 1.00 0.00 O ATOM 0 H GLU B 16 -12.795 3.560 -2.314 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.394 3.852 -2.707 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.471 5.100 -3.825 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.276 3.752 -4.927 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.788 4.219 -5.590 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.547 5.770 -4.811 1.00 0.00 H new ATOM 787 N ARG B 17 -14.485 1.121 -4.424 1.00 0.00 N ATOM 788 CA ARG B 17 -14.915 -0.119 -5.071 1.00 0.00 C ATOM 789 C ARG B 17 -15.947 -0.885 -4.235 1.00 0.00 C ATOM 790 O ARG B 17 -17.058 -1.144 -4.706 1.00 0.00 O ATOM 791 CB ARG B 17 -13.742 -1.071 -5.467 1.00 0.00 C ATOM 792 CG ARG B 17 -12.774 -0.544 -6.557 1.00 0.00 C ATOM 793 CD ARG B 17 -13.293 -0.509 -8.011 1.00 0.00 C ATOM 794 NE ARG B 17 -13.980 0.810 -8.291 1.00 0.00 N ATOM 795 CZ ARG B 17 -14.641 1.129 -9.452 1.00 0.00 C ATOM 796 NH1 ARG B 17 -14.887 0.218 -10.439 1.00 0.00 N ATOM 797 NH2 ARG B 17 -15.064 2.418 -9.633 1.00 0.00 N ATOM 0 H ARG B 17 -13.468 1.186 -4.374 1.00 0.00 H new ATOM 0 HA ARG B 17 -15.384 0.211 -5.998 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.162 -1.292 -4.571 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -14.167 -2.014 -5.812 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.475 0.467 -6.282 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.875 -1.159 -6.535 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -12.463 -0.649 -8.704 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -13.989 -1.332 -8.176 1.00 0.00 H new ATOM 0 HE ARG B 17 -13.950 1.519 -7.559 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -14.576 -0.747 -10.331 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -15.382 0.503 -11.284 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -14.886 3.119 -8.914 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -15.557 2.678 -10.487 1.00 0.00 H new ATOM 811 N ASP B 18 -15.569 -1.235 -2.974 1.00 0.00 N ATOM 812 CA ASP B 18 -16.327 -1.952 -1.954 1.00 0.00 C ATOM 813 C ASP B 18 -17.542 -1.173 -1.438 1.00 0.00 C ATOM 814 O ASP B 18 -18.668 -1.679 -1.474 1.00 0.00 O ATOM 815 CB ASP B 18 -15.417 -2.366 -0.740 1.00 0.00 C ATOM 816 CG ASP B 18 -14.363 -3.411 -1.130 1.00 0.00 C ATOM 817 OD1 ASP B 18 -14.756 -4.556 -1.482 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.149 -3.079 -1.065 1.00 0.00 O ATOM 0 H ASP B 18 -14.639 -0.992 -2.632 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.698 -2.848 -2.452 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.919 -1.481 -0.344 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.041 -2.764 0.060 1.00 0.00 H new ATOM 823 N THR B 19 -17.303 0.069 -0.945 1.00 0.00 N ATOM 824 CA THR B 19 -18.195 1.054 -0.361 1.00 0.00 C ATOM 825 C THR B 19 -19.158 1.612 -1.435 1.00 0.00 C ATOM 826 O THR B 19 -18.714 2.374 -2.333 1.00 0.00 O ATOM 827 CB THR B 19 -17.382 2.083 0.419 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.913 1.528 1.646 1.00 0.00 O ATOM 829 CG2 THR B 19 -18.033 3.449 0.703 1.00 0.00 C ATOM 830 OXT THR B 19 -20.370 1.273 -1.351 1.00 0.00 O ATOM 0 H THR B 19 -16.350 0.431 -0.959 1.00 0.00 H new ATOM 0 HA THR B 19 -18.857 0.604 0.378 1.00 0.00 H new ATOM 0 HB THR B 19 -16.571 2.311 -0.272 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.532 2.239 2.202 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.338 4.074 1.264 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.280 3.937 -0.240 1.00 0.00 H new ATOM 0 HG23 THR B 19 -18.943 3.304 1.286 1.00 0.00 H new TER 838 THR B 19