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 154:sc= -0.812 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -3.73 K(o=-4.5,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 -29:sc= 0.0156 USER MOD Single : A 6 G O2' : rot -14:sc= 0.0642 USER MOD Single : A 7 C O2' : rot -110:sc= 0.715 USER MOD Single : A 8 U O2' : rot -13:sc= 0.0362 USER MOD Single : A 9 G O2' : rot 172:sc= 0.753 USER MOD Single : A 10 A O2' : rot -107:sc= 0.0555 USER MOD Single : A 12 A O2' : rot -21:sc= 0.0296 USER MOD Single : A 13 A O2' : rot -20:sc= 0.0095 USER MOD Single : A 14 A O2' : rot 180:sc=-0.000173 USER MOD Single : A 15 G O2' : rot -20:sc= 0.0805 USER MOD Single : A 16 C O2' : rot -21:sc= 0.0298 USER MOD Single : A 17 G O2' : rot -25:sc= 0.0482 USER MOD Single : A 18 C O2' : rot -14:sc= 0.0685 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0674 USER MOD Single : B 1 ASN : amide:sc= -0.0288 K(o=-0.029,f=-0.87) USER MOD Single : B 1 ASN N :NH3+ -122:sc= -0.615 (180deg=-1.47!) USER MOD Single : B 3 LYS NZ :NH3+ 151:sc= 0.836 (180deg=0.137) 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 -75:sc= -0.59! USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.864 4.679 8.199 1.00 0.00 O ATOM 2 C5' G A 4 10.257 4.845 6.925 1.00 0.00 C ATOM 3 C4' G A 4 10.978 5.911 6.087 1.00 0.00 C ATOM 4 O4' G A 4 12.314 5.413 5.727 1.00 0.00 O ATOM 5 C3' G A 4 10.267 6.185 4.753 1.00 0.00 C ATOM 6 O3' G A 4 9.412 7.335 4.794 1.00 0.00 O ATOM 7 C2' G A 4 11.405 6.341 3.751 1.00 0.00 C ATOM 8 O2' G A 4 11.766 7.678 3.410 1.00 0.00 O ATOM 9 C1' G A 4 12.579 5.589 4.331 1.00 0.00 C ATOM 10 N9 G A 4 12.854 4.309 3.622 1.00 0.00 N ATOM 11 C8 G A 4 12.666 3.054 4.071 1.00 0.00 C ATOM 12 N7 G A 4 13.004 2.107 3.228 1.00 0.00 N ATOM 13 C5 G A 4 13.451 2.782 2.122 1.00 0.00 C ATOM 14 C6 G A 4 13.933 2.259 0.912 1.00 0.00 C ATOM 15 O6 G A 4 14.046 1.058 0.649 1.00 0.00 O ATOM 16 N1 G A 4 14.294 3.299 0.004 1.00 0.00 N ATOM 17 C2 G A 4 14.201 4.682 0.247 1.00 0.00 C ATOM 18 N2 G A 4 14.613 5.431 -0.815 1.00 0.00 N ATOM 19 N3 G A 4 13.728 5.141 1.438 1.00 0.00 N ATOM 20 C4 G A 4 13.375 4.162 2.320 1.00 0.00 C ATOM 0 H5' G A 4 9.212 5.128 7.054 1.00 0.00 H new ATOM 0 H5'' G A 4 10.266 3.895 6.391 1.00 0.00 H new ATOM 0 H4' G A 4 11.003 6.819 6.690 1.00 0.00 H new ATOM 0 H3' G A 4 9.585 5.377 4.487 1.00 0.00 H new ATOM 0 H2' G A 4 11.067 5.940 2.796 1.00 0.00 H new ATOM 0 HO2' G A 4 12.503 7.663 2.765 1.00 0.00 H new ATOM 0 HO5' G A 4 10.379 3.995 8.706 1.00 0.00 H new ATOM 0 H1' G A 4 13.497 6.161 4.196 1.00 0.00 H new ATOM 0 H8 G A 4 12.267 2.842 5.052 1.00 0.00 H new ATOM 0 H1 G A 4 14.653 3.013 -0.907 1.00 0.00 H new ATOM 0 H21 G A 4 14.592 6.449 -0.760 1.00 0.00 H new ATOM 0 H22 G A 4 14.942 4.973 -1.665 1.00 0.00 H new ATOM 33 P C A 5 8.113 7.496 3.879 1.00 0.00 P ATOM 34 OP1 C A 5 7.499 8.810 4.185 1.00 0.00 O ATOM 35 OP2 C A 5 7.246 6.314 4.074 1.00 0.00 O ATOM 36 O5' C A 5 8.658 7.485 2.377 1.00 0.00 O ATOM 37 C5' C A 5 9.095 8.653 1.686 1.00 0.00 C ATOM 38 C4' C A 5 9.453 8.421 0.185 1.00 0.00 C ATOM 39 O4' C A 5 10.713 7.693 -0.022 1.00 0.00 O ATOM 40 C3' C A 5 8.422 7.655 -0.649 1.00 0.00 C ATOM 41 O3' C A 5 7.338 8.496 -1.045 1.00 0.00 O ATOM 42 C2' C A 5 9.254 7.094 -1.814 1.00 0.00 C ATOM 43 O2' C A 5 9.487 8.034 -2.862 1.00 0.00 O ATOM 44 C1' C A 5 10.573 6.732 -1.105 1.00 0.00 C ATOM 45 N1 C A 5 10.651 5.321 -0.592 1.00 0.00 N ATOM 46 C2 C A 5 11.034 4.253 -1.479 1.00 0.00 C ATOM 47 O2 C A 5 11.291 4.442 -2.683 1.00 0.00 O ATOM 48 N3 C A 5 11.111 2.979 -0.957 1.00 0.00 N ATOM 49 C4 C A 5 10.840 2.718 0.348 1.00 0.00 C ATOM 50 N4 C A 5 10.903 1.451 0.839 1.00 0.00 N ATOM 51 C5 C A 5 10.461 3.794 1.232 1.00 0.00 C ATOM 52 C6 C A 5 10.381 5.026 0.723 1.00 0.00 C ATOM 0 H5' C A 5 9.969 9.056 2.197 1.00 0.00 H new ATOM 0 H5'' C A 5 8.313 9.410 1.747 1.00 0.00 H new ATOM 0 H4' C A 5 9.508 9.456 -0.153 1.00 0.00 H new ATOM 0 H3' C A 5 7.919 6.854 -0.107 1.00 0.00 H new ATOM 0 H2' C A 5 8.753 6.269 -2.320 1.00 0.00 H new ATOM 0 HO2' C A 5 8.747 8.676 -2.896 1.00 0.00 H new ATOM 0 H1' C A 5 11.389 6.781 -1.826 1.00 0.00 H new ATOM 0 H41 C A 5 10.696 1.274 1.822 1.00 0.00 H new ATOM 0 H42 C A 5 11.157 0.678 0.224 1.00 0.00 H new ATOM 0 H5 C A 5 10.248 3.608 2.274 1.00 0.00 H new ATOM 0 H6 C A 5 10.089 5.833 1.379 1.00 0.00 H new ATOM 64 P G A 6 5.915 7.900 -1.422 1.00 0.00 P ATOM 65 OP1 G A 6 4.955 9.023 -1.491 1.00 0.00 O ATOM 66 OP2 G A 6 5.576 6.786 -0.500 1.00 0.00 O ATOM 67 O5' G A 6 6.178 7.366 -2.892 1.00 0.00 O ATOM 68 C5' G A 6 5.631 6.138 -3.345 1.00 0.00 C ATOM 69 C4' G A 6 6.365 5.687 -4.618 1.00 0.00 C ATOM 70 O4' G A 6 7.715 5.219 -4.300 1.00 0.00 O ATOM 71 C3' G A 6 5.689 4.506 -5.317 1.00 0.00 C ATOM 72 O3' G A 6 4.784 4.972 -6.322 1.00 0.00 O ATOM 73 C2' G A 6 6.845 3.677 -5.888 1.00 0.00 C ATOM 74 O2' G A 6 7.292 4.120 -7.172 1.00 0.00 O ATOM 75 C1' G A 6 7.943 3.912 -4.837 1.00 0.00 C ATOM 76 N9 G A 6 8.133 2.907 -3.749 1.00 0.00 N ATOM 77 C8 G A 6 8.003 3.070 -2.403 1.00 0.00 C ATOM 78 N7 G A 6 8.272 2.006 -1.689 1.00 0.00 N ATOM 79 C5 G A 6 8.610 1.055 -2.611 1.00 0.00 C ATOM 80 C6 G A 6 8.988 -0.275 -2.389 1.00 0.00 C ATOM 81 O6 G A 6 9.086 -0.813 -1.282 1.00 0.00 O ATOM 82 N1 G A 6 9.258 -0.949 -3.614 1.00 0.00 N ATOM 83 C2 G A 6 9.169 -0.393 -4.905 1.00 0.00 C ATOM 84 N2 G A 6 9.476 -1.277 -5.894 1.00 0.00 N ATOM 85 N3 G A 6 8.800 0.904 -5.071 1.00 0.00 N ATOM 86 C4 G A 6 8.536 1.567 -3.909 1.00 0.00 C ATOM 0 H5' G A 6 4.567 6.255 -3.549 1.00 0.00 H new ATOM 0 H5'' G A 6 5.725 5.378 -2.570 1.00 0.00 H new ATOM 0 H4' G A 6 6.362 6.564 -5.265 1.00 0.00 H new ATOM 0 H3' G A 6 5.078 3.902 -4.646 1.00 0.00 H new ATOM 0 H2' G A 6 6.563 2.637 -6.052 1.00 0.00 H new ATOM 0 HO2' G A 6 6.634 4.739 -7.552 1.00 0.00 H new ATOM 0 H1' G A 6 8.888 3.801 -5.369 1.00 0.00 H new ATOM 0 H8 G A 6 7.701 4.007 -1.958 1.00 0.00 H new ATOM 0 H1 G A 6 9.543 -1.926 -3.551 1.00 0.00 H new ATOM 0 H21 G A 6 9.444 -0.982 -6.870 1.00 0.00 H new ATOM 0 H22 G A 6 9.737 -2.235 -5.659 1.00 0.00 H new ATOM 98 P C A 7 3.315 4.397 -6.468 1.00 0.00 P ATOM 99 OP1 C A 7 2.651 5.072 -7.608 1.00 0.00 O ATOM 100 OP2 C A 7 2.623 4.460 -5.160 1.00 0.00 O ATOM 101 O5' C A 7 3.583 2.884 -6.812 1.00 0.00 O ATOM 102 C5' C A 7 3.945 2.383 -8.092 1.00 0.00 C ATOM 103 C4' C A 7 4.229 0.858 -8.055 1.00 0.00 C ATOM 104 O4' C A 7 5.504 0.563 -7.371 1.00 0.00 O ATOM 105 C3' C A 7 3.211 0.067 -7.230 1.00 0.00 C ATOM 106 O3' C A 7 1.888 -0.098 -7.726 1.00 0.00 O ATOM 107 C2' C A 7 3.965 -1.167 -6.767 1.00 0.00 C ATOM 108 O2' C A 7 3.932 -2.282 -7.647 1.00 0.00 O ATOM 109 C1' C A 7 5.420 -0.699 -6.657 1.00 0.00 C ATOM 110 N1 C A 7 5.695 -0.621 -5.197 1.00 0.00 N ATOM 111 C2 C A 7 6.068 -1.825 -4.484 1.00 0.00 C ATOM 112 O2 C A 7 6.271 -2.909 -5.062 1.00 0.00 O ATOM 113 N3 C A 7 6.198 -1.751 -3.115 1.00 0.00 N ATOM 114 C4 C A 7 5.987 -0.588 -2.443 1.00 0.00 C ATOM 115 N4 C A 7 6.085 -0.539 -1.083 1.00 0.00 N ATOM 116 C5 C A 7 5.627 0.598 -3.187 1.00 0.00 C ATOM 117 C6 C A 7 5.500 0.536 -4.499 1.00 0.00 C ATOM 0 H5' C A 7 4.830 2.909 -8.451 1.00 0.00 H new ATOM 0 H5'' C A 7 3.143 2.586 -8.802 1.00 0.00 H new ATOM 0 H4' C A 7 4.213 0.572 -9.107 1.00 0.00 H new ATOM 0 H3' C A 7 2.874 0.665 -6.383 1.00 0.00 H new ATOM 0 H2' C A 7 3.502 -1.526 -5.848 1.00 0.00 H new ATOM 0 HO2' C A 7 3.383 -2.993 -7.254 1.00 0.00 H new ATOM 0 H1' C A 7 6.171 -1.353 -7.101 1.00 0.00 H new ATOM 0 H41 C A 7 5.924 0.340 -0.591 1.00 0.00 H new ATOM 0 H42 C A 7 6.319 -1.382 -0.558 1.00 0.00 H new ATOM 0 H5 C A 7 5.462 1.532 -2.671 1.00 0.00 H new ATOM 0 H6 C A 7 5.232 1.432 -5.040 1.00 0.00 H new ATOM 129 P U A 8 1.255 -0.815 -8.982 1.00 0.00 P ATOM 130 OP1 U A 8 2.104 -0.559 -10.167 1.00 0.00 O ATOM 131 OP2 U A 8 -0.165 -0.401 -9.081 1.00 0.00 O ATOM 132 O5' U A 8 1.322 -2.370 -8.654 1.00 0.00 O ATOM 133 C5' U A 8 0.655 -2.964 -7.549 1.00 0.00 C ATOM 134 C4' U A 8 1.029 -4.459 -7.432 1.00 0.00 C ATOM 135 O4' U A 8 2.433 -4.669 -7.050 1.00 0.00 O ATOM 136 C3' U A 8 0.211 -5.235 -6.398 1.00 0.00 C ATOM 137 O3' U A 8 -0.999 -5.743 -6.977 1.00 0.00 O ATOM 138 C2' U A 8 1.190 -6.332 -5.927 1.00 0.00 C ATOM 139 O2' U A 8 1.204 -7.486 -6.766 1.00 0.00 O ATOM 140 C1' U A 8 2.540 -5.606 -5.962 1.00 0.00 C ATOM 141 N1 U A 8 2.937 -4.955 -4.664 1.00 0.00 N ATOM 142 C2 U A 8 3.298 -5.805 -3.561 1.00 0.00 C ATOM 143 O2 U A 8 3.313 -7.043 -3.586 1.00 0.00 O ATOM 144 N3 U A 8 3.657 -5.110 -2.386 1.00 0.00 N ATOM 145 C4 U A 8 3.693 -3.703 -2.203 1.00 0.00 C ATOM 146 O4 U A 8 4.028 -3.208 -1.125 1.00 0.00 O ATOM 147 C5 U A 8 3.311 -2.938 -3.377 1.00 0.00 C ATOM 148 C6 U A 8 2.962 -3.574 -4.513 1.00 0.00 C ATOM 0 H5' U A 8 -0.423 -2.861 -7.669 1.00 0.00 H new ATOM 0 H5'' U A 8 0.925 -2.442 -6.631 1.00 0.00 H new ATOM 0 H4' U A 8 0.821 -4.829 -8.436 1.00 0.00 H new ATOM 0 H3' U A 8 -0.141 -4.632 -5.561 1.00 0.00 H new ATOM 0 H2' U A 8 0.917 -6.732 -4.951 1.00 0.00 H new ATOM 0 HO2' U A 8 0.437 -7.456 -7.376 1.00 0.00 H new ATOM 0 H1' U A 8 3.349 -6.320 -6.114 1.00 0.00 H new ATOM 0 H3 U A 8 3.919 -5.680 -1.582 1.00 0.00 H new ATOM 0 H5 U A 8 3.307 -1.859 -3.340 1.00 0.00 H new ATOM 0 H6 U A 8 2.683 -2.969 -5.363 1.00 0.00 H new ATOM 159 P G A 9 -2.241 -6.203 -6.095 1.00 0.00 P ATOM 160 OP1 G A 9 -3.259 -6.789 -6.998 1.00 0.00 O ATOM 161 OP2 G A 9 -2.672 -5.090 -5.218 1.00 0.00 O ATOM 162 O5' G A 9 -1.579 -7.340 -5.220 1.00 0.00 O ATOM 163 C5' G A 9 -2.187 -8.481 -4.661 1.00 0.00 C ATOM 164 C4' G A 9 -2.293 -8.404 -3.118 1.00 0.00 C ATOM 165 O4' G A 9 -1.031 -8.009 -2.490 1.00 0.00 O ATOM 166 C3' G A 9 -3.306 -7.377 -2.621 1.00 0.00 C ATOM 167 O3' G A 9 -4.603 -7.944 -2.713 1.00 0.00 O ATOM 168 C2' G A 9 -2.832 -7.066 -1.195 1.00 0.00 C ATOM 169 O2' G A 9 -3.322 -8.004 -0.238 1.00 0.00 O ATOM 170 C1' G A 9 -1.288 -7.186 -1.338 1.00 0.00 C ATOM 171 N9 G A 9 -0.538 -5.893 -1.451 1.00 0.00 N ATOM 172 C8 G A 9 -0.116 -5.202 -2.556 1.00 0.00 C ATOM 173 N7 G A 9 0.498 -4.075 -2.298 1.00 0.00 N ATOM 174 C5 G A 9 0.498 -3.987 -0.938 1.00 0.00 C ATOM 175 C6 G A 9 1.029 -2.971 -0.134 1.00 0.00 C ATOM 176 O6 G A 9 1.583 -1.955 -0.557 1.00 0.00 O ATOM 177 N1 G A 9 0.832 -3.247 1.245 1.00 0.00 N ATOM 178 C2 G A 9 0.189 -4.382 1.770 1.00 0.00 C ATOM 179 N2 G A 9 0.145 -4.396 3.122 1.00 0.00 N ATOM 180 N3 G A 9 -0.314 -5.340 0.955 1.00 0.00 N ATOM 181 C4 G A 9 -0.133 -5.096 -0.367 1.00 0.00 C ATOM 0 H5' G A 9 -1.614 -9.366 -4.938 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.184 -8.601 -5.084 1.00 0.00 H new ATOM 0 H4' G A 9 -2.595 -9.415 -2.844 1.00 0.00 H new ATOM 0 H3' G A 9 -3.368 -6.452 -3.194 1.00 0.00 H new ATOM 0 H2' G A 9 -3.183 -6.099 -0.834 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.891 -7.844 0.628 1.00 0.00 H new ATOM 0 H1' G A 9 -0.917 -7.621 -0.410 1.00 0.00 H new ATOM 0 H8 G A 9 -0.277 -5.559 -3.562 1.00 0.00 H new ATOM 0 H1 G A 9 1.188 -2.563 1.912 1.00 0.00 H new ATOM 0 H21 G A 9 -0.299 -5.174 3.610 1.00 0.00 H new ATOM 0 H22 G A 9 0.556 -3.629 3.654 1.00 0.00 H new ATOM 193 P A A 10 -5.937 -7.256 -3.208 1.00 0.00 P ATOM 194 OP1 A A 10 -6.763 -8.277 -3.892 1.00 0.00 O ATOM 195 OP2 A A 10 -5.639 -6.021 -3.970 1.00 0.00 O ATOM 196 O5' A A 10 -6.646 -6.834 -1.858 1.00 0.00 O ATOM 197 C5' A A 10 -6.885 -7.756 -0.798 1.00 0.00 C ATOM 198 C4' A A 10 -7.541 -7.050 0.407 1.00 0.00 C ATOM 199 O4' A A 10 -7.550 -7.936 1.568 1.00 0.00 O ATOM 200 C3' A A 10 -6.824 -5.768 0.879 1.00 0.00 C ATOM 201 O3' A A 10 -7.789 -4.770 1.237 1.00 0.00 O ATOM 202 C2' A A 10 -5.930 -6.239 2.039 1.00 0.00 C ATOM 203 O2' A A 10 -5.695 -5.241 3.030 1.00 0.00 O ATOM 204 C1' A A 10 -6.688 -7.450 2.607 1.00 0.00 C ATOM 205 N9 A A 10 -5.861 -8.605 3.048 1.00 0.00 N ATOM 206 C8 A A 10 -5.140 -9.507 2.317 1.00 0.00 C ATOM 207 N7 A A 10 -4.552 -10.439 3.031 1.00 0.00 N ATOM 208 C5 A A 10 -4.899 -10.142 4.325 1.00 0.00 C ATOM 209 C6 A A 10 -4.565 -10.793 5.532 1.00 0.00 C ATOM 210 N6 A A 10 -3.781 -11.915 5.506 1.00 0.00 N ATOM 211 N1 A A 10 -5.093 -10.215 6.666 1.00 0.00 N ATOM 212 C2 A A 10 -5.859 -9.121 6.557 1.00 0.00 C ATOM 213 N3 A A 10 -6.224 -8.447 5.483 1.00 0.00 N ATOM 214 C4 A A 10 -5.705 -9.015 4.372 1.00 0.00 C ATOM 0 H5' A A 10 -5.945 -8.213 -0.489 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.531 -8.561 -1.149 1.00 0.00 H new ATOM 0 H4' A A 10 -8.536 -6.787 0.047 1.00 0.00 H new ATOM 0 H3' A A 10 -6.215 -5.285 0.115 1.00 0.00 H new ATOM 0 H2' A A 10 -4.924 -6.481 1.696 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.772 -4.921 2.959 1.00 0.00 H new ATOM 0 H1' A A 10 -7.191 -7.082 3.501 1.00 0.00 H new ATOM 0 H8 A A 10 -5.060 -9.457 1.241 1.00 0.00 H new ATOM 0 H61 A A 10 -3.538 -12.388 6.377 1.00 0.00 H new ATOM 0 H62 A A 10 -3.440 -12.278 4.616 1.00 0.00 H new ATOM 0 H2 A A 10 -6.235 -8.731 7.491 1.00 0.00 H new ATOM 226 P C A 11 -8.556 -3.877 0.152 1.00 0.00 P ATOM 227 OP1 C A 11 -9.939 -3.678 0.639 1.00 0.00 O ATOM 228 OP2 C A 11 -8.412 -4.434 -1.215 1.00 0.00 O ATOM 229 O5' C A 11 -7.832 -2.490 0.222 1.00 0.00 O ATOM 230 C5' C A 11 -6.530 -2.164 -0.233 1.00 0.00 C ATOM 231 C4' C A 11 -5.833 -1.184 0.752 1.00 0.00 C ATOM 232 O4' C A 11 -6.711 -0.062 1.127 1.00 0.00 O ATOM 233 C3' C A 11 -5.494 -1.865 2.072 1.00 0.00 C ATOM 234 O3' C A 11 -4.154 -1.569 2.453 1.00 0.00 O ATOM 235 C2' C A 11 -6.531 -1.390 3.075 1.00 0.00 C ATOM 236 O2' C A 11 -6.108 -1.408 4.433 1.00 0.00 O ATOM 237 C1' C A 11 -6.958 -0.017 2.555 1.00 0.00 C ATOM 238 N1 C A 11 -8.414 0.179 2.885 1.00 0.00 N ATOM 239 C2 C A 11 -8.811 0.701 4.180 1.00 0.00 C ATOM 240 O2 C A 11 -7.980 1.032 5.051 1.00 0.00 O ATOM 241 N3 C A 11 -10.164 0.823 4.442 1.00 0.00 N ATOM 242 C4 C A 11 -11.105 0.470 3.523 1.00 0.00 C ATOM 243 N4 C A 11 -12.442 0.572 3.784 1.00 0.00 N ATOM 244 C5 C A 11 -10.691 -0.042 2.236 1.00 0.00 C ATOM 245 C6 C A 11 -9.395 -0.165 1.982 1.00 0.00 C ATOM 0 H5' C A 11 -6.588 -1.712 -1.223 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.936 -3.072 -0.331 1.00 0.00 H new ATOM 0 H4' C A 11 -4.943 -0.842 0.224 1.00 0.00 H new ATOM 0 H3' C A 11 -5.534 -2.952 2.003 1.00 0.00 H new ATOM 0 H2' C A 11 -7.374 -2.079 3.130 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.609 -0.736 4.941 1.00 0.00 H new ATOM 0 H1' C A 11 -6.417 0.818 3.000 1.00 0.00 H new ATOM 0 H41 C A 11 -13.122 0.299 3.075 1.00 0.00 H new ATOM 0 H42 C A 11 -12.760 0.921 4.688 1.00 0.00 H new ATOM 0 H5 C A 11 -11.425 -0.320 1.494 1.00 0.00 H new ATOM 0 H6 C A 11 -9.095 -0.554 1.020 1.00 0.00 H new ATOM 257 P A A 12 -2.994 -2.638 2.560 1.00 0.00 P ATOM 258 OP1 A A 12 -1.719 -1.908 2.747 1.00 0.00 O ATOM 259 OP2 A A 12 -3.073 -3.578 1.418 1.00 0.00 O ATOM 260 O5' A A 12 -3.343 -3.448 3.863 1.00 0.00 O ATOM 261 C5' A A 12 -3.231 -2.984 5.198 1.00 0.00 C ATOM 262 C4' A A 12 -2.917 -4.133 6.184 1.00 0.00 C ATOM 263 O4' A A 12 -3.571 -5.390 5.773 1.00 0.00 O ATOM 264 C3' A A 12 -1.433 -4.498 6.290 1.00 0.00 C ATOM 265 O3' A A 12 -0.703 -3.627 7.159 1.00 0.00 O ATOM 266 C2' A A 12 -1.483 -5.946 6.774 1.00 0.00 C ATOM 267 O2' A A 12 -1.661 -6.077 8.188 1.00 0.00 O ATOM 268 C1' A A 12 -2.701 -6.503 6.015 1.00 0.00 C ATOM 269 N9 A A 12 -2.400 -7.285 4.762 1.00 0.00 N ATOM 270 C8 A A 12 -2.594 -6.983 3.432 1.00 0.00 C ATOM 271 N7 A A 12 -2.238 -7.925 2.603 1.00 0.00 N ATOM 272 C5 A A 12 -1.772 -8.932 3.396 1.00 0.00 C ATOM 273 C6 A A 12 -1.262 -10.193 3.031 1.00 0.00 C ATOM 274 N6 A A 12 -1.213 -10.537 1.707 1.00 0.00 N ATOM 275 N1 A A 12 -0.869 -10.983 4.083 1.00 0.00 N ATOM 276 C2 A A 12 -0.990 -10.535 5.337 1.00 0.00 C ATOM 277 N3 A A 12 -1.461 -9.367 5.780 1.00 0.00 N ATOM 278 C4 A A 12 -1.847 -8.587 4.737 1.00 0.00 C ATOM 0 H5' A A 12 -4.161 -2.497 5.492 1.00 0.00 H new ATOM 0 H5'' A A 12 -2.445 -2.231 5.256 1.00 0.00 H new ATOM 0 H4' A A 12 -3.279 -3.743 7.135 1.00 0.00 H new ATOM 0 H3' A A 12 -0.893 -4.387 5.350 1.00 0.00 H new ATOM 0 H2' A A 12 -0.546 -6.471 6.585 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.391 -5.245 8.630 1.00 0.00 H new ATOM 0 H1' A A 12 -3.172 -7.264 6.637 1.00 0.00 H new ATOM 0 H8 A A 12 -3.008 -6.042 3.102 1.00 0.00 H new ATOM 0 H61 A A 12 -0.846 -11.447 1.430 1.00 0.00 H new ATOM 0 H62 A A 12 -1.544 -9.883 0.998 1.00 0.00 H new ATOM 0 H2 A A 12 -0.658 -11.219 6.104 1.00 0.00 H new ATOM 290 P A A 13 0.788 -3.139 6.866 1.00 0.00 P ATOM 291 OP1 A A 13 1.144 -2.110 7.873 1.00 0.00 O ATOM 292 OP2 A A 13 0.911 -2.733 5.447 1.00 0.00 O ATOM 293 O5' A A 13 1.674 -4.446 7.092 1.00 0.00 O ATOM 294 C5' A A 13 1.928 -4.943 8.407 1.00 0.00 C ATOM 295 C4' A A 13 2.343 -6.435 8.437 1.00 0.00 C ATOM 296 O4' A A 13 1.333 -7.291 7.795 1.00 0.00 O ATOM 297 C3' A A 13 3.635 -6.795 7.695 1.00 0.00 C ATOM 298 O3' A A 13 4.831 -6.499 8.421 1.00 0.00 O ATOM 299 C2' A A 13 3.446 -8.298 7.456 1.00 0.00 C ATOM 300 O2' A A 13 3.707 -9.117 8.599 1.00 0.00 O ATOM 301 C1' A A 13 1.966 -8.353 7.052 1.00 0.00 C ATOM 302 N9 A A 13 1.738 -8.212 5.566 1.00 0.00 N ATOM 303 C8 A A 13 1.286 -7.133 4.864 1.00 0.00 C ATOM 304 N7 A A 13 1.191 -7.305 3.573 1.00 0.00 N ATOM 305 C5 A A 13 1.608 -8.586 3.371 1.00 0.00 C ATOM 306 C6 A A 13 1.716 -9.308 2.168 1.00 0.00 C ATOM 307 N6 A A 13 1.365 -8.710 0.986 1.00 0.00 N ATOM 308 N1 A A 13 2.175 -10.594 2.310 1.00 0.00 N ATOM 309 C2 A A 13 2.480 -11.066 3.523 1.00 0.00 C ATOM 310 N3 A A 13 2.413 -10.464 4.714 1.00 0.00 N ATOM 311 C4 A A 13 1.959 -9.193 4.573 1.00 0.00 C ATOM 0 H5' A A 13 1.033 -4.811 9.015 1.00 0.00 H new ATOM 0 H5'' A A 13 2.716 -4.346 8.866 1.00 0.00 H new ATOM 0 H4' A A 13 2.470 -6.602 9.507 1.00 0.00 H new ATOM 0 H3' A A 13 3.776 -6.210 6.786 1.00 0.00 H new ATOM 0 H2' A A 13 4.146 -8.693 6.720 1.00 0.00 H new ATOM 0 HO2' A A 13 4.261 -8.621 9.237 1.00 0.00 H new ATOM 0 H1' A A 13 1.543 -9.330 7.284 1.00 0.00 H new ATOM 0 H8 A A 13 1.025 -6.201 5.343 1.00 0.00 H new ATOM 0 H61 A A 13 1.441 -9.228 0.110 1.00 0.00 H new ATOM 0 H62 A A 13 1.028 -7.747 0.982 1.00 0.00 H new ATOM 0 H2 A A 13 2.833 -12.086 3.543 1.00 0.00 H new ATOM 323 P A A 14 6.112 -5.879 7.693 1.00 0.00 P ATOM 324 OP1 A A 14 7.172 -5.680 8.708 1.00 0.00 O ATOM 325 OP2 A A 14 5.701 -4.680 6.926 1.00 0.00 O ATOM 326 O5' A A 14 6.569 -7.000 6.654 1.00 0.00 O ATOM 327 C5' A A 14 7.139 -8.234 7.077 1.00 0.00 C ATOM 328 C4' A A 14 7.158 -9.338 5.985 1.00 0.00 C ATOM 329 O4' A A 14 5.807 -9.640 5.494 1.00 0.00 O ATOM 330 C3' A A 14 7.958 -9.013 4.722 1.00 0.00 C ATOM 331 O3' A A 14 9.349 -9.307 4.861 1.00 0.00 O ATOM 332 C2' A A 14 7.247 -9.865 3.658 1.00 0.00 C ATOM 333 O2' A A 14 7.638 -11.237 3.622 1.00 0.00 O ATOM 334 C1' A A 14 5.782 -9.719 4.058 1.00 0.00 C ATOM 335 N9 A A 14 5.133 -8.507 3.441 1.00 0.00 N ATOM 336 C8 A A 14 4.709 -7.368 4.051 1.00 0.00 C ATOM 337 N7 A A 14 4.198 -6.462 3.267 1.00 0.00 N ATOM 338 C5 A A 14 4.276 -7.018 2.024 1.00 0.00 C ATOM 339 C6 A A 14 3.873 -6.490 0.787 1.00 0.00 C ATOM 340 N6 A A 14 3.311 -5.246 0.746 1.00 0.00 N ATOM 341 N1 A A 14 4.092 -7.310 -0.290 1.00 0.00 N ATOM 342 C2 A A 14 4.649 -8.511 -0.114 1.00 0.00 C ATOM 343 N3 A A 14 5.063 -9.099 1.011 1.00 0.00 N ATOM 344 C4 A A 14 4.846 -8.285 2.076 1.00 0.00 C ATOM 0 H5' A A 14 6.582 -8.602 7.939 1.00 0.00 H new ATOM 0 H5'' A A 14 8.160 -8.053 7.412 1.00 0.00 H new ATOM 0 H4' A A 14 7.630 -10.167 6.512 1.00 0.00 H new ATOM 0 H3' A A 14 7.971 -7.953 4.470 1.00 0.00 H new ATOM 0 H2' A A 14 7.490 -9.527 2.650 1.00 0.00 H new ATOM 0 HO2' A A 14 7.137 -11.702 2.920 1.00 0.00 H new ATOM 0 H1' A A 14 5.182 -10.556 3.700 1.00 0.00 H new ATOM 0 H8 A A 14 4.791 -7.224 5.118 1.00 0.00 H new ATOM 0 H61 A A 14 3.014 -4.850 -0.146 1.00 0.00 H new ATOM 0 H62 A A 14 3.189 -4.713 1.607 1.00 0.00 H new ATOM 0 H2 A A 14 4.785 -9.092 -1.014 1.00 0.00 H new ATOM 356 P G A 15 10.479 -8.467 4.109 1.00 0.00 P ATOM 357 OP1 G A 15 11.800 -8.941 4.583 1.00 0.00 O ATOM 358 OP2 G A 15 10.204 -7.019 4.263 1.00 0.00 O ATOM 359 O5' G A 15 10.303 -8.846 2.571 1.00 0.00 O ATOM 360 C5' G A 15 10.489 -10.187 2.126 1.00 0.00 C ATOM 361 C4' G A 15 9.857 -10.466 0.740 1.00 0.00 C ATOM 362 O4' G A 15 8.459 -10.050 0.632 1.00 0.00 O ATOM 363 C3' G A 15 10.574 -9.817 -0.438 1.00 0.00 C ATOM 364 O3' G A 15 11.632 -10.657 -0.903 1.00 0.00 O ATOM 365 C2' G A 15 9.457 -9.620 -1.468 1.00 0.00 C ATOM 366 O2' G A 15 9.240 -10.754 -2.310 1.00 0.00 O ATOM 367 C1' G A 15 8.237 -9.337 -0.593 1.00 0.00 C ATOM 368 N9 G A 15 7.922 -7.897 -0.310 1.00 0.00 N ATOM 369 C8 G A 15 7.943 -7.248 0.885 1.00 0.00 C ATOM 370 N7 G A 15 7.623 -5.978 0.833 1.00 0.00 N ATOM 371 C5 G A 15 7.362 -5.746 -0.490 1.00 0.00 C ATOM 372 C6 G A 15 6.972 -4.545 -1.106 1.00 0.00 C ATOM 373 O6 G A 15 6.807 -3.463 -0.528 1.00 0.00 O ATOM 374 N1 G A 15 6.797 -4.718 -2.512 1.00 0.00 N ATOM 375 C2 G A 15 6.982 -5.916 -3.229 1.00 0.00 C ATOM 376 N2 G A 15 6.746 -5.774 -4.563 1.00 0.00 N ATOM 377 N3 G A 15 7.362 -7.054 -2.589 1.00 0.00 N ATOM 378 C4 G A 15 7.534 -6.913 -1.244 1.00 0.00 C ATOM 0 H5' G A 15 10.057 -10.869 2.858 1.00 0.00 H new ATOM 0 H5'' G A 15 11.556 -10.403 2.081 1.00 0.00 H new ATOM 0 H4' G A 15 9.951 -11.550 0.681 1.00 0.00 H new ATOM 0 H3' G A 15 11.063 -8.873 -0.198 1.00 0.00 H new ATOM 0 H2' G A 15 9.696 -8.825 -2.175 1.00 0.00 H new ATOM 0 HO2' G A 15 10.033 -11.329 -2.295 1.00 0.00 H new ATOM 0 H1' G A 15 7.358 -9.665 -1.148 1.00 0.00 H new ATOM 0 H8 G A 15 8.204 -7.743 1.809 1.00 0.00 H new ATOM 0 H1 G A 15 6.511 -3.898 -3.047 1.00 0.00 H new ATOM 0 H21 G A 15 6.848 -6.574 -5.187 1.00 0.00 H new ATOM 0 H22 G A 15 6.468 -4.867 -4.938 1.00 0.00 H new ATOM 390 P C A 16 13.048 -10.100 -1.347 1.00 0.00 P ATOM 391 OP1 C A 16 13.917 -11.246 -1.698 1.00 0.00 O ATOM 392 OP2 C A 16 13.558 -9.172 -0.311 1.00 0.00 O ATOM 393 O5' C A 16 12.711 -9.261 -2.647 1.00 0.00 O ATOM 394 C5' C A 16 12.355 -9.860 -3.887 1.00 0.00 C ATOM 395 C4' C A 16 11.928 -8.809 -4.942 1.00 0.00 C ATOM 396 O4' C A 16 10.660 -8.154 -4.582 1.00 0.00 O ATOM 397 C3' C A 16 12.922 -7.656 -5.113 1.00 0.00 C ATOM 398 O3' C A 16 14.008 -8.032 -5.966 1.00 0.00 O ATOM 399 C2' C A 16 12.044 -6.516 -5.631 1.00 0.00 C ATOM 400 O2' C A 16 11.850 -6.556 -7.044 1.00 0.00 O ATOM 401 C1' C A 16 10.727 -6.737 -4.857 1.00 0.00 C ATOM 402 N1 C A 16 10.546 -5.908 -3.598 1.00 0.00 N ATOM 403 C2 C A 16 10.167 -4.519 -3.742 1.00 0.00 C ATOM 404 O2 C A 16 9.980 -3.987 -4.854 1.00 0.00 O ATOM 405 N3 C A 16 10.011 -3.764 -2.601 1.00 0.00 N ATOM 406 C4 C A 16 10.201 -4.281 -1.361 1.00 0.00 C ATOM 407 N4 C A 16 10.044 -3.521 -0.239 1.00 0.00 N ATOM 408 C5 C A 16 10.576 -5.663 -1.208 1.00 0.00 C ATOM 409 C6 C A 16 10.731 -6.413 -2.310 1.00 0.00 C ATOM 0 H5' C A 16 11.539 -10.565 -3.727 1.00 0.00 H new ATOM 0 H5'' C A 16 13.201 -10.433 -4.268 1.00 0.00 H new ATOM 0 H4' C A 16 11.857 -9.394 -5.859 1.00 0.00 H new ATOM 0 H3' C A 16 13.437 -7.357 -4.200 1.00 0.00 H new ATOM 0 H2' C A 16 12.489 -5.534 -5.470 1.00 0.00 H new ATOM 0 HO2' C A 16 12.565 -7.084 -7.458 1.00 0.00 H new ATOM 0 H1' C A 16 9.902 -6.388 -5.478 1.00 0.00 H new ATOM 0 H41 C A 16 10.193 -3.934 0.682 1.00 0.00 H new ATOM 0 H42 C A 16 9.778 -2.540 -0.321 1.00 0.00 H new ATOM 0 H5 C A 16 10.729 -6.087 -0.227 1.00 0.00 H new ATOM 0 H6 C A 16 11.010 -7.450 -2.196 1.00 0.00 H new ATOM 421 P G A 17 15.371 -7.220 -6.042 1.00 0.00 P ATOM 422 OP1 G A 17 16.376 -8.061 -6.729 1.00 0.00 O ATOM 423 OP2 G A 17 15.727 -6.714 -4.692 1.00 0.00 O ATOM 424 O5' G A 17 14.961 -6.031 -7.020 1.00 0.00 O ATOM 425 C5' G A 17 15.566 -4.752 -6.893 1.00 0.00 C ATOM 426 C4' G A 17 14.836 -3.712 -7.766 1.00 0.00 C ATOM 427 O4' G A 17 13.439 -3.545 -7.334 1.00 0.00 O ATOM 428 C3' G A 17 15.454 -2.311 -7.648 1.00 0.00 C ATOM 429 O3' G A 17 16.464 -2.097 -8.637 1.00 0.00 O ATOM 430 C2' G A 17 14.260 -1.366 -7.796 1.00 0.00 C ATOM 431 O2' G A 17 13.890 -1.122 -9.156 1.00 0.00 O ATOM 432 C1' G A 17 13.154 -2.161 -7.074 1.00 0.00 C ATOM 433 N9 G A 17 12.924 -1.932 -5.607 1.00 0.00 N ATOM 434 C8 G A 17 12.968 -2.828 -4.569 1.00 0.00 C ATOM 435 N7 G A 17 12.711 -2.319 -3.393 1.00 0.00 N ATOM 436 C5 G A 17 12.472 -0.999 -3.633 1.00 0.00 C ATOM 437 C6 G A 17 12.147 -0.002 -2.710 1.00 0.00 C ATOM 438 O6 G A 17 12.018 -0.170 -1.492 1.00 0.00 O ATOM 439 N1 G A 17 11.974 1.256 -3.348 1.00 0.00 N ATOM 440 C2 G A 17 12.102 1.514 -4.726 1.00 0.00 C ATOM 441 N2 G A 17 11.878 2.818 -5.050 1.00 0.00 N ATOM 442 N3 G A 17 12.421 0.512 -5.587 1.00 0.00 N ATOM 443 C4 G A 17 12.592 -0.705 -4.995 1.00 0.00 C ATOM 0 H5' G A 17 16.614 -4.810 -7.188 1.00 0.00 H new ATOM 0 H5'' G A 17 15.545 -4.437 -5.850 1.00 0.00 H new ATOM 0 H4' G A 17 14.916 -4.094 -8.784 1.00 0.00 H new ATOM 0 H3' G A 17 15.974 -2.153 -6.703 1.00 0.00 H new ATOM 0 H2' G A 17 14.462 -0.372 -7.398 1.00 0.00 H new ATOM 0 HO2' G A 17 14.665 -1.269 -9.737 1.00 0.00 H new ATOM 0 H1' G A 17 12.210 -1.796 -7.479 1.00 0.00 H new ATOM 0 H8 G A 17 13.197 -3.874 -4.713 1.00 0.00 H new ATOM 0 H1 G A 17 11.734 2.047 -2.751 1.00 0.00 H new ATOM 0 H21 G A 17 11.944 3.121 -6.022 1.00 0.00 H new ATOM 0 H22 G A 17 11.645 3.492 -4.321 1.00 0.00 H new ATOM 455 P C A 18 17.860 -1.420 -8.294 1.00 0.00 P ATOM 456 OP1 C A 18 18.681 -1.381 -9.528 1.00 0.00 O ATOM 457 OP2 C A 18 18.459 -2.100 -7.123 1.00 0.00 O ATOM 458 O5' C A 18 17.460 0.054 -7.865 1.00 0.00 O ATOM 459 C5' C A 18 17.007 1.027 -8.804 1.00 0.00 C ATOM 460 C4' C A 18 16.570 2.345 -8.116 1.00 0.00 C ATOM 461 O4' C A 18 15.408 2.133 -7.253 1.00 0.00 O ATOM 462 C3' C A 18 17.636 2.967 -7.219 1.00 0.00 C ATOM 463 O3' C A 18 18.479 3.870 -7.931 1.00 0.00 O ATOM 464 C2' C A 18 16.879 3.594 -6.049 1.00 0.00 C ATOM 465 O2' C A 18 16.629 4.994 -6.173 1.00 0.00 O ATOM 466 C1' C A 18 15.555 2.814 -5.991 1.00 0.00 C ATOM 467 N1 C A 18 15.463 1.902 -4.807 1.00 0.00 N ATOM 468 C2 C A 18 15.254 2.454 -3.481 1.00 0.00 C ATOM 469 O2 C A 18 15.141 3.677 -3.272 1.00 0.00 O ATOM 470 N3 C A 18 15.178 1.576 -2.418 1.00 0.00 N ATOM 471 C4 C A 18 15.294 0.232 -2.601 1.00 0.00 C ATOM 472 N4 C A 18 15.217 -0.649 -1.561 1.00 0.00 N ATOM 473 C5 C A 18 15.500 -0.293 -3.928 1.00 0.00 C ATOM 474 C6 C A 18 15.576 0.549 -4.955 1.00 0.00 C ATOM 0 H5' C A 18 16.170 0.620 -9.371 1.00 0.00 H new ATOM 0 H5'' C A 18 17.803 1.238 -9.518 1.00 0.00 H new ATOM 0 H4' C A 18 16.358 3.013 -8.951 1.00 0.00 H new ATOM 0 H3' C A 18 18.340 2.224 -6.843 1.00 0.00 H new ATOM 0 H2' C A 18 17.480 3.524 -5.143 1.00 0.00 H new ATOM 0 HO2' C A 18 17.179 5.362 -6.896 1.00 0.00 H new ATOM 0 HO3' C A 18 19.146 4.247 -7.319 1.00 0.00 H new ATOM 0 H1' C A 18 14.721 3.500 -5.845 1.00 0.00 H new ATOM 0 H41 C A 18 15.308 -1.650 -1.733 1.00 0.00 H new ATOM 0 H42 C A 18 15.068 -0.306 -0.612 1.00 0.00 H new ATOM 0 H5 C A 18 15.592 -1.357 -4.086 1.00 0.00 H new ATOM 0 H6 C A 18 15.733 0.147 -5.945 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.210 1.324 5.588 1.00 0.00 N ATOM 489 CA ASN B 1 9.543 1.150 4.264 1.00 0.00 C ATOM 490 C ASN B 1 8.287 2.002 4.158 1.00 0.00 C ATOM 491 O ASN B 1 7.593 2.222 5.159 1.00 0.00 O ATOM 492 CB ASN B 1 9.240 -0.369 4.042 1.00 0.00 C ATOM 493 CG ASN B 1 9.201 -0.781 2.556 1.00 0.00 C ATOM 494 OD1 ASN B 1 10.190 -1.324 2.045 1.00 0.00 O ATOM 495 ND2 ASN B 1 8.047 -0.545 1.864 1.00 0.00 N ATOM 0 H1 ASN B 1 11.186 1.654 5.444 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.687 2.024 6.151 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.223 0.415 6.092 1.00 0.00 H new ATOM 0 HA ASN B 1 10.212 1.494 3.475 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.998 -0.961 4.554 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.282 -0.611 4.503 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.975 -0.819 0.884 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.258 -0.095 2.327 1.00 0.00 H new ATOM 503 N ALA B 2 7.970 2.499 2.919 1.00 0.00 N ATOM 504 CA ALA B 2 6.805 3.320 2.631 1.00 0.00 C ATOM 505 C ALA B 2 5.608 2.414 2.391 1.00 0.00 C ATOM 506 O ALA B 2 5.301 2.015 1.262 1.00 0.00 O ATOM 507 CB ALA B 2 6.986 4.339 1.485 1.00 0.00 C ATOM 0 H ALA B 2 8.545 2.321 2.096 1.00 0.00 H new ATOM 0 HA ALA B 2 6.641 3.946 3.508 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.062 4.901 1.349 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.795 5.026 1.733 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.228 3.810 0.563 1.00 0.00 H new ATOM 513 N LYS B 3 4.932 2.072 3.521 1.00 0.00 N ATOM 514 CA LYS B 3 3.744 1.249 3.629 1.00 0.00 C ATOM 515 C LYS B 3 2.543 2.183 3.712 1.00 0.00 C ATOM 516 O LYS B 3 1.705 2.160 2.812 1.00 0.00 O ATOM 517 CB LYS B 3 3.765 0.220 4.813 1.00 0.00 C ATOM 518 CG LYS B 3 4.860 -0.880 4.757 1.00 0.00 C ATOM 519 CD LYS B 3 4.724 -1.911 3.608 1.00 0.00 C ATOM 520 CE LYS B 3 5.878 -2.929 3.531 1.00 0.00 C ATOM 521 NZ LYS B 3 5.684 -3.851 2.394 1.00 0.00 N ATOM 0 H LYS B 3 5.244 2.400 4.435 1.00 0.00 H new ATOM 0 HA LYS B 3 3.690 0.616 2.743 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.885 0.774 5.744 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.792 -0.269 4.857 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.832 -0.394 4.670 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.856 -1.418 5.705 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.785 -2.452 3.730 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.663 -1.376 2.660 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.827 -2.404 3.422 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.932 -3.496 4.460 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.610 -4.175 2.048 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.124 -4.671 2.703 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.182 -3.357 1.629 1.00 0.00 H new ATOM 535 N THR B 4 2.455 3.036 4.786 1.00 0.00 N ATOM 536 CA THR B 4 1.388 4.001 5.072 1.00 0.00 C ATOM 537 C THR B 4 1.333 5.163 4.091 1.00 0.00 C ATOM 538 O THR B 4 0.234 5.516 3.658 1.00 0.00 O ATOM 539 CB THR B 4 1.299 4.521 6.523 1.00 0.00 C ATOM 540 OG1 THR B 4 2.569 4.901 7.048 1.00 0.00 O ATOM 541 CG2 THR B 4 0.625 3.465 7.439 1.00 0.00 C ATOM 0 H THR B 4 3.179 3.052 5.504 1.00 0.00 H new ATOM 0 HA THR B 4 0.502 3.382 4.932 1.00 0.00 H new ATOM 0 HB THR B 4 0.683 5.420 6.501 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.460 5.224 7.967 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.571 3.849 8.458 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.381 3.257 7.075 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.212 2.546 7.428 1.00 0.00 H new ATOM 549 N ARG B 5 2.500 5.764 3.704 1.00 0.00 N ATOM 550 CA ARG B 5 2.614 6.859 2.748 1.00 0.00 C ATOM 551 C ARG B 5 1.993 6.473 1.388 1.00 0.00 C ATOM 552 O ARG B 5 1.219 7.260 0.838 1.00 0.00 O ATOM 553 CB ARG B 5 4.090 7.360 2.648 1.00 0.00 C ATOM 554 CG ARG B 5 4.330 8.641 1.816 1.00 0.00 C ATOM 555 CD ARG B 5 3.702 9.943 2.341 1.00 0.00 C ATOM 556 NE ARG B 5 3.953 11.020 1.313 1.00 0.00 N ATOM 557 CZ ARG B 5 3.602 12.342 1.435 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.994 12.846 2.550 1.00 0.00 N ATOM 559 NH2 ARG B 5 3.873 13.187 0.395 1.00 0.00 N ATOM 0 H ARG B 5 3.405 5.473 4.075 1.00 0.00 H new ATOM 0 HA ARG B 5 2.034 7.708 3.109 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.460 7.535 3.658 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.694 6.559 2.222 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.406 8.794 1.732 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.954 8.466 0.808 1.00 0.00 H new ATOM 0 HD2 ARG B 5 2.632 9.813 2.505 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.140 10.220 3.300 1.00 0.00 H new ATOM 0 HE ARG B 5 4.425 10.741 0.453 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.783 12.233 3.337 1.00 0.00 H new ATOM 0 HH12 ARG B 5 2.752 13.836 2.595 1.00 0.00 H new ATOM 0 HH21 ARG B 5 4.326 12.831 -0.447 1.00 0.00 H new ATOM 0 HH22 ARG B 5 3.622 14.174 0.461 1.00 0.00 H new ATOM 573 N ARG B 6 2.280 5.236 0.864 1.00 0.00 N ATOM 574 CA ARG B 6 1.720 4.651 -0.350 1.00 0.00 C ATOM 575 C ARG B 6 0.221 4.395 -0.110 1.00 0.00 C ATOM 576 O ARG B 6 -0.605 4.912 -0.867 1.00 0.00 O ATOM 577 CB ARG B 6 2.479 3.351 -0.795 1.00 0.00 C ATOM 578 CG ARG B 6 1.749 2.433 -1.815 1.00 0.00 C ATOM 579 CD ARG B 6 2.555 1.213 -2.283 1.00 0.00 C ATOM 580 NE ARG B 6 1.636 0.087 -2.696 1.00 0.00 N ATOM 581 CZ ARG B 6 1.041 -0.069 -3.923 1.00 0.00 C ATOM 582 NH1 ARG B 6 0.972 0.943 -4.836 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.500 -1.285 -4.243 1.00 0.00 N ATOM 0 H ARG B 6 2.944 4.609 1.318 1.00 0.00 H new ATOM 0 HA ARG B 6 1.845 5.349 -1.178 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.436 3.646 -1.226 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.699 2.763 0.096 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.819 2.085 -1.366 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.479 3.028 -2.688 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.193 1.493 -3.121 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.212 0.876 -1.481 1.00 0.00 H new ATOM 0 HE ARG B 6 1.439 -0.627 -1.995 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.371 1.856 -4.617 1.00 0.00 H new ATOM 0 HH12 ARG B 6 0.521 0.787 -5.737 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.544 -2.054 -3.575 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.053 -1.422 -5.150 1.00 0.00 H new ATOM 597 N HIS B 7 -0.135 3.590 0.951 1.00 0.00 N ATOM 598 CA HIS B 7 -1.459 3.194 1.402 1.00 0.00 C ATOM 599 C HIS B 7 -2.477 4.316 1.325 1.00 0.00 C ATOM 600 O HIS B 7 -3.482 4.112 0.667 1.00 0.00 O ATOM 601 CB HIS B 7 -1.439 2.576 2.833 1.00 0.00 C ATOM 602 CG HIS B 7 -2.778 2.290 3.459 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.206 1.032 3.778 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.731 3.152 3.882 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.386 1.137 4.373 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.723 2.413 4.455 1.00 0.00 N ATOM 0 H HIS B 7 0.586 3.181 1.545 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.776 2.421 0.702 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.874 1.645 2.795 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.893 3.253 3.490 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.710 4.227 3.784 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.979 0.310 4.734 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.577 2.781 4.874 1.00 0.00 H new ATOM 615 N GLU B 8 -2.250 5.501 1.968 1.00 0.00 N ATOM 616 CA GLU B 8 -3.096 6.691 2.015 1.00 0.00 C ATOM 617 C GLU B 8 -3.889 6.975 0.720 1.00 0.00 C ATOM 618 O GLU B 8 -5.118 7.058 0.775 1.00 0.00 O ATOM 619 CB GLU B 8 -2.238 7.927 2.451 1.00 0.00 C ATOM 620 CG GLU B 8 -3.040 9.181 2.884 1.00 0.00 C ATOM 621 CD GLU B 8 -2.095 10.333 3.240 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.407 10.246 4.294 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.058 11.325 2.463 1.00 0.00 O ATOM 0 H GLU B 8 -1.394 5.639 2.505 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.867 6.492 2.759 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.594 7.626 3.278 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.585 8.204 1.623 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.708 9.488 2.079 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.666 8.939 3.743 1.00 0.00 H new ATOM 630 N ARG B 9 -3.204 7.095 -0.461 1.00 0.00 N ATOM 631 CA ARG B 9 -3.773 7.346 -1.788 1.00 0.00 C ATOM 632 C ARG B 9 -4.481 6.107 -2.339 1.00 0.00 C ATOM 633 O ARG B 9 -5.636 6.213 -2.757 1.00 0.00 O ATOM 634 CB ARG B 9 -2.727 7.839 -2.846 1.00 0.00 C ATOM 635 CG ARG B 9 -2.034 9.208 -2.609 1.00 0.00 C ATOM 636 CD ARG B 9 -1.004 9.261 -1.460 1.00 0.00 C ATOM 637 NE ARG B 9 -0.171 10.516 -1.610 1.00 0.00 N ATOM 638 CZ ARG B 9 1.201 10.573 -1.561 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.970 9.524 -1.147 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.824 11.727 -1.948 1.00 0.00 N ATOM 0 H ARG B 9 -2.188 7.012 -0.493 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.490 8.152 -1.631 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.948 7.080 -2.923 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.227 7.882 -3.814 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.534 9.503 -3.531 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.805 9.953 -2.412 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.513 9.259 -0.496 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.365 8.378 -1.485 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.670 11.393 -1.760 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.529 8.651 -0.857 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.986 9.613 -1.127 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.271 12.523 -2.265 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.842 11.791 -1.920 1.00 0.00 H new ATOM 654 N ARG B 10 -3.821 4.904 -2.337 1.00 0.00 N ATOM 655 CA ARG B 10 -4.346 3.615 -2.792 1.00 0.00 C ATOM 656 C ARG B 10 -5.649 3.252 -2.064 1.00 0.00 C ATOM 657 O ARG B 10 -6.601 2.861 -2.731 1.00 0.00 O ATOM 658 CB ARG B 10 -3.257 2.499 -2.659 1.00 0.00 C ATOM 659 CG ARG B 10 -3.681 1.031 -2.931 1.00 0.00 C ATOM 660 CD ARG B 10 -2.496 0.050 -2.915 1.00 0.00 C ATOM 661 NE ARG B 10 -2.985 -1.374 -2.743 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.554 -2.244 -1.776 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.799 -1.852 -0.709 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.876 -3.567 -1.898 1.00 0.00 N ATOM 0 H ARG B 10 -2.862 4.827 -1.997 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.597 3.699 -3.849 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.443 2.743 -3.342 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.851 2.548 -1.649 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.410 0.724 -2.181 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.178 0.976 -3.899 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.932 0.137 -3.844 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.815 0.307 -2.104 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.690 -1.711 -3.398 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.531 -0.873 -0.606 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.502 -2.538 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.425 -3.887 -2.696 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.567 -4.234 -1.191 1.00 0.00 H new ATOM 678 N ARG B 11 -5.723 3.410 -0.705 1.00 0.00 N ATOM 679 CA ARG B 11 -6.826 3.218 0.222 1.00 0.00 C ATOM 680 C ARG B 11 -8.071 3.889 -0.344 1.00 0.00 C ATOM 681 O ARG B 11 -9.057 3.190 -0.530 1.00 0.00 O ATOM 682 CB ARG B 11 -6.458 3.744 1.633 1.00 0.00 C ATOM 683 CG ARG B 11 -7.523 3.563 2.726 1.00 0.00 C ATOM 684 CD ARG B 11 -7.551 4.686 3.759 1.00 0.00 C ATOM 685 NE ARG B 11 -8.583 4.289 4.786 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.180 5.117 5.703 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.831 6.426 5.863 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.171 4.588 6.486 1.00 0.00 N ATOM 0 H ARG B 11 -4.892 3.714 -0.197 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.035 2.154 0.338 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.546 3.243 1.958 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.227 4.806 1.553 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.503 3.492 2.255 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.346 2.617 3.238 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.572 4.814 4.221 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.811 5.637 3.293 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.864 3.309 4.800 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.094 6.832 5.286 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.307 6.999 6.560 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.441 3.611 6.376 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.639 5.171 7.179 1.00 0.00 H new ATOM 702 N LYS B 12 -8.035 5.225 -0.663 1.00 0.00 N ATOM 703 CA LYS B 12 -9.101 6.035 -1.260 1.00 0.00 C ATOM 704 C LYS B 12 -9.802 5.289 -2.407 1.00 0.00 C ATOM 705 O LYS B 12 -11.018 5.085 -2.353 1.00 0.00 O ATOM 706 CB LYS B 12 -8.597 7.450 -1.710 1.00 0.00 C ATOM 707 CG LYS B 12 -8.118 8.376 -0.562 1.00 0.00 C ATOM 708 CD LYS B 12 -7.377 9.649 -1.033 1.00 0.00 C ATOM 709 CE LYS B 12 -6.758 10.478 0.109 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.012 11.641 -0.427 1.00 0.00 N ATOM 0 H LYS B 12 -7.197 5.780 -0.490 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.841 6.204 -0.478 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.777 7.318 -2.415 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.402 7.951 -2.247 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.982 8.673 0.033 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.458 7.809 0.094 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.587 9.361 -1.727 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.074 10.278 -1.587 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.544 10.823 0.781 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.088 9.851 0.697 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.604 12.184 0.360 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.249 11.307 -1.049 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.659 12.249 -0.969 1.00 0.00 H new ATOM 724 N LEU B 13 -9.024 4.820 -3.429 1.00 0.00 N ATOM 725 CA LEU B 13 -9.474 4.037 -4.577 1.00 0.00 C ATOM 726 C LEU B 13 -9.961 2.655 -4.195 1.00 0.00 C ATOM 727 O LEU B 13 -11.054 2.276 -4.609 1.00 0.00 O ATOM 728 CB LEU B 13 -8.476 3.967 -5.744 1.00 0.00 C ATOM 729 CG LEU B 13 -8.210 5.339 -6.438 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.458 6.259 -6.638 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.983 6.074 -5.833 1.00 0.00 C ATOM 0 H LEU B 13 -8.020 4.997 -3.457 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.327 4.603 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.530 3.569 -5.376 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.851 3.263 -6.487 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.951 5.074 -7.463 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.154 7.183 -7.129 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.194 5.745 -7.257 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.898 6.491 -5.668 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.837 7.024 -6.348 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.156 6.259 -4.773 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.093 5.456 -5.953 1.00 0.00 H new ATOM 743 N ALA B 14 -9.172 1.895 -3.380 1.00 0.00 N ATOM 744 CA ALA B 14 -9.449 0.575 -2.844 1.00 0.00 C ATOM 745 C ALA B 14 -10.820 0.506 -2.214 1.00 0.00 C ATOM 746 O ALA B 14 -11.582 -0.409 -2.542 1.00 0.00 O ATOM 747 CB ALA B 14 -8.451 0.122 -1.771 1.00 0.00 C ATOM 0 H ALA B 14 -8.262 2.237 -3.072 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.372 -0.083 -3.709 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.723 -0.873 -1.418 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.448 0.095 -2.196 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.473 0.822 -0.935 1.00 0.00 H new ATOM 753 N ILE B 15 -11.162 1.503 -1.324 1.00 0.00 N ATOM 754 CA ILE B 15 -12.446 1.619 -0.676 1.00 0.00 C ATOM 755 C ILE B 15 -13.509 1.695 -1.772 1.00 0.00 C ATOM 756 O ILE B 15 -14.391 0.836 -1.804 1.00 0.00 O ATOM 757 CB ILE B 15 -12.717 2.719 0.385 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.596 2.988 1.437 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.022 2.280 1.100 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.148 4.441 1.437 1.00 0.00 C ATOM 0 H ILE B 15 -10.513 2.244 -1.058 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.472 0.731 -0.044 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.777 3.672 -0.140 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.959 2.721 2.429 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.741 2.345 1.227 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.280 3.010 1.867 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.832 2.216 0.373 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.873 1.305 1.563 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.367 4.581 2.185 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.759 4.702 0.453 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.996 5.083 1.674 1.00 0.00 H new ATOM 772 N GLU B 16 -13.409 2.729 -2.670 1.00 0.00 N ATOM 773 CA GLU B 16 -14.300 3.009 -3.776 1.00 0.00 C ATOM 774 C GLU B 16 -14.606 1.775 -4.673 1.00 0.00 C ATOM 775 O GLU B 16 -15.737 1.657 -5.150 1.00 0.00 O ATOM 776 CB GLU B 16 -13.809 4.241 -4.621 1.00 0.00 C ATOM 777 CG GLU B 16 -14.909 4.926 -5.472 1.00 0.00 C ATOM 778 CD GLU B 16 -15.966 5.623 -4.605 1.00 0.00 C ATOM 779 OE1 GLU B 16 -15.632 6.658 -3.965 1.00 0.00 O ATOM 780 OE2 GLU B 16 -17.126 5.131 -4.580 1.00 0.00 O ATOM 0 H GLU B 16 -12.651 3.409 -2.611 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.254 3.274 -3.320 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.380 4.980 -3.944 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.008 3.913 -5.284 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.449 5.657 -6.137 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.394 4.181 -6.103 1.00 0.00 H new ATOM 787 N ARG B 17 -13.625 0.829 -4.886 1.00 0.00 N ATOM 788 CA ARG B 17 -13.748 -0.424 -5.641 1.00 0.00 C ATOM 789 C ARG B 17 -14.805 -1.329 -4.992 1.00 0.00 C ATOM 790 O ARG B 17 -15.801 -1.668 -5.635 1.00 0.00 O ATOM 791 CB ARG B 17 -12.428 -1.264 -5.809 1.00 0.00 C ATOM 792 CG ARG B 17 -11.246 -0.621 -6.577 1.00 0.00 C ATOM 793 CD ARG B 17 -10.019 -1.545 -6.803 1.00 0.00 C ATOM 794 NE ARG B 17 -9.357 -1.906 -5.486 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.353 -2.828 -5.313 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.818 -3.546 -6.343 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.865 -3.044 -4.052 1.00 0.00 N ATOM 0 H ARG B 17 -12.686 0.950 -4.505 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.030 -0.099 -6.642 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.073 -1.530 -4.813 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -12.687 -2.194 -6.314 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.607 -0.281 -7.548 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.918 0.264 -6.031 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.334 -2.454 -7.316 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.298 -1.046 -7.451 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.688 -1.420 -4.653 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.163 -3.409 -7.293 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.073 -4.219 -6.163 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.247 -2.525 -3.262 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.120 -3.724 -3.903 1.00 0.00 H new ATOM 811 N ASP B 18 -14.584 -1.710 -3.696 1.00 0.00 N ATOM 812 CA ASP B 18 -15.410 -2.548 -2.825 1.00 0.00 C ATOM 813 C ASP B 18 -16.846 -2.027 -2.709 1.00 0.00 C ATOM 814 O ASP B 18 -17.796 -2.764 -2.982 1.00 0.00 O ATOM 815 CB ASP B 18 -14.789 -2.746 -1.398 1.00 0.00 C ATOM 816 CG ASP B 18 -13.434 -3.467 -1.435 1.00 0.00 C ATOM 817 OD1 ASP B 18 -13.396 -4.657 -1.850 1.00 0.00 O ATOM 818 OD2 ASP B 18 -12.419 -2.835 -1.035 1.00 0.00 O ATOM 0 H ASP B 18 -13.743 -1.400 -3.209 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.438 -3.524 -3.310 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.665 -1.773 -0.922 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.483 -3.317 -0.781 1.00 0.00 H new ATOM 823 N THR B 19 -16.993 -0.730 -2.323 1.00 0.00 N ATOM 824 CA THR B 19 -18.199 0.079 -2.153 1.00 0.00 C ATOM 825 C THR B 19 -19.036 0.065 -3.457 1.00 0.00 C ATOM 826 O THR B 19 -18.521 0.476 -4.532 1.00 0.00 O ATOM 827 CB THR B 19 -17.891 1.536 -1.749 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.836 2.050 -2.499 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.550 1.689 -0.254 1.00 0.00 C ATOM 830 OXT THR B 19 -20.215 -0.376 -3.378 1.00 0.00 O ATOM 0 H THR B 19 -16.165 -0.177 -2.102 1.00 0.00 H new ATOM 0 HA THR B 19 -18.767 -0.369 -1.337 1.00 0.00 H new ATOM 0 HB THR B 19 -18.806 2.095 -1.948 1.00 0.00 H new ATOM 0 HG1 THR B 19 -15.991 1.669 -2.180 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.343 2.736 -0.033 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.393 1.351 0.348 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.672 1.088 -0.018 1.00 0.00 H new TER 838 THR B 19