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 156:sc= -0.493 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -3.96! K(o=-4.5!,f=-0.88) 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 -19:sc= 0.0147 USER MOD Single : A 6 G O2' : rot -24:sc= 0.0775 USER MOD Single : A 7 C O2' : rot -121:sc= 0.823 USER MOD Single : A 8 U O2' : rot -12:sc= 0.131 USER MOD Single : A 9 G O2' : rot -171:sc= 0.346 USER MOD Single : A 10 A O2' : rot -57:sc= 0.0386 USER MOD Single : A 12 A O2' : rot -17:sc= 0.022 USER MOD Single : A 13 A O2' : rot -20:sc= 0.00998 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -14:sc= 0.0353 USER MOD Single : A 16 C O2' : rot -19:sc= 0.00901 USER MOD Single : A 17 G O2' : rot -21:sc= 0.0257 USER MOD Single : A 18 C O2' : rot -16:sc= 0.0439 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0624 USER MOD Single : B 1 ASN : amide:sc= 0 K(o=0,f=-0.91) USER MOD Single : B 1 ASN N :NH3+ -120:sc= 0.327 (180deg=-0.0122) USER MOD Single : B 3 LYS NZ :NH3+ 148:sc= 0.195 (180deg=-1.04) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0373 USER MOD Single : B 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 THR OG1 : rot -78:sc= -0.64 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.401 6.754 7.614 1.00 0.00 O ATOM 2 C5' G A 4 10.478 5.883 7.292 1.00 0.00 C ATOM 3 C4' G A 4 11.285 6.452 6.114 1.00 0.00 C ATOM 4 O4' G A 4 12.395 5.568 5.791 1.00 0.00 O ATOM 5 C3' G A 4 10.501 6.540 4.802 1.00 0.00 C ATOM 6 O3' G A 4 9.715 7.734 4.694 1.00 0.00 O ATOM 7 C2' G A 4 11.579 6.434 3.733 1.00 0.00 C ATOM 8 O2' G A 4 12.039 7.662 3.167 1.00 0.00 O ATOM 9 C1' G A 4 12.717 5.682 4.395 1.00 0.00 C ATOM 10 N9 G A 4 12.981 4.365 3.772 1.00 0.00 N ATOM 11 C8 G A 4 12.758 3.145 4.292 1.00 0.00 C ATOM 12 N7 G A 4 13.093 2.143 3.515 1.00 0.00 N ATOM 13 C5 G A 4 13.575 2.746 2.380 1.00 0.00 C ATOM 14 C6 G A 4 14.072 2.148 1.211 1.00 0.00 C ATOM 15 O6 G A 4 14.166 0.932 1.018 1.00 0.00 O ATOM 16 N1 G A 4 14.473 3.129 0.254 1.00 0.00 N ATOM 17 C2 G A 4 14.401 4.524 0.417 1.00 0.00 C ATOM 18 N2 G A 4 14.854 5.207 -0.672 1.00 0.00 N ATOM 19 N3 G A 4 13.914 5.057 1.569 1.00 0.00 N ATOM 20 C4 G A 4 13.524 4.135 2.495 1.00 0.00 C ATOM 0 H5' G A 4 10.093 4.896 7.036 1.00 0.00 H new ATOM 0 H5'' G A 4 11.126 5.757 8.160 1.00 0.00 H new ATOM 0 H4' G A 4 11.581 7.445 6.451 1.00 0.00 H new ATOM 0 H3' G A 4 9.752 5.753 4.714 1.00 0.00 H new ATOM 0 H2' G A 4 11.154 5.928 2.866 1.00 0.00 H new ATOM 0 HO2' G A 4 12.728 7.475 2.496 1.00 0.00 H new ATOM 0 HO5' G A 4 8.892 6.382 8.364 1.00 0.00 H new ATOM 0 H1' G A 4 13.647 6.234 4.262 1.00 0.00 H new ATOM 0 H8 G A 4 12.335 3.001 5.275 1.00 0.00 H new ATOM 0 H1 G A 4 14.847 2.786 -0.631 1.00 0.00 H new ATOM 0 H21 G A 4 14.851 6.227 -0.672 1.00 0.00 H new ATOM 0 H22 G A 4 15.196 4.698 -1.487 1.00 0.00 H new ATOM 33 P C A 5 8.414 7.826 3.781 1.00 0.00 P ATOM 34 OP1 C A 5 7.823 9.170 3.983 1.00 0.00 O ATOM 35 OP2 C A 5 7.539 6.668 4.071 1.00 0.00 O ATOM 36 O5' C A 5 8.953 7.690 2.284 1.00 0.00 O ATOM 37 C5' C A 5 9.443 8.807 1.545 1.00 0.00 C ATOM 38 C4' C A 5 9.855 8.477 0.080 1.00 0.00 C ATOM 39 O4' C A 5 11.081 7.675 -0.027 1.00 0.00 O ATOM 40 C3' C A 5 8.820 7.732 -0.766 1.00 0.00 C ATOM 41 O3' C A 5 7.791 8.606 -1.241 1.00 0.00 O ATOM 42 C2' C A 5 9.677 7.084 -1.866 1.00 0.00 C ATOM 43 O2' C A 5 9.996 7.967 -2.943 1.00 0.00 O ATOM 44 C1' C A 5 10.949 6.693 -1.091 1.00 0.00 C ATOM 45 N1 C A 5 10.953 5.297 -0.540 1.00 0.00 N ATOM 46 C2 C A 5 11.338 4.192 -1.383 1.00 0.00 C ATOM 47 O2 C A 5 11.652 4.339 -2.579 1.00 0.00 O ATOM 48 N3 C A 5 11.351 2.932 -0.826 1.00 0.00 N ATOM 49 C4 C A 5 11.017 2.714 0.473 1.00 0.00 C ATOM 50 N4 C A 5 11.023 1.458 0.997 1.00 0.00 N ATOM 51 C5 C A 5 10.637 3.828 1.311 1.00 0.00 C ATOM 52 C6 C A 5 10.617 5.049 0.768 1.00 0.00 C ATOM 0 H5' C A 5 10.305 9.223 2.067 1.00 0.00 H new ATOM 0 H5'' C A 5 8.676 9.581 1.528 1.00 0.00 H new ATOM 0 H4' C A 5 9.986 9.487 -0.308 1.00 0.00 H new ATOM 0 H3' C A 5 8.249 6.982 -0.218 1.00 0.00 H new ATOM 0 H2' C A 5 9.160 6.258 -2.355 1.00 0.00 H new ATOM 0 HO2' C A 5 9.368 8.719 -2.946 1.00 0.00 H new ATOM 0 H1' C A 5 11.795 6.694 -1.779 1.00 0.00 H new ATOM 0 H41 C A 5 10.770 1.312 1.974 1.00 0.00 H new ATOM 0 H42 C A 5 11.281 0.663 0.413 1.00 0.00 H new ATOM 0 H5 C A 5 10.376 3.678 2.348 1.00 0.00 H new ATOM 0 H6 C A 5 10.322 5.882 1.389 1.00 0.00 H new ATOM 64 P G A 6 6.378 8.059 -1.727 1.00 0.00 P ATOM 65 OP1 G A 6 5.459 9.209 -1.881 1.00 0.00 O ATOM 66 OP2 G A 6 5.930 6.960 -0.839 1.00 0.00 O ATOM 67 O5' G A 6 6.745 7.512 -3.171 1.00 0.00 O ATOM 68 C5' G A 6 6.189 6.315 -3.690 1.00 0.00 C ATOM 69 C4' G A 6 7.059 5.789 -4.849 1.00 0.00 C ATOM 70 O4' G A 6 8.322 5.247 -4.350 1.00 0.00 O ATOM 71 C3' G A 6 6.410 4.633 -5.604 1.00 0.00 C ATOM 72 O3' G A 6 5.670 5.121 -6.729 1.00 0.00 O ATOM 73 C2' G A 6 7.571 3.714 -6.006 1.00 0.00 C ATOM 74 O2' G A 6 8.201 4.084 -7.235 1.00 0.00 O ATOM 75 C1' G A 6 8.546 3.921 -4.843 1.00 0.00 C ATOM 76 N9 G A 6 8.583 2.926 -3.732 1.00 0.00 N ATOM 77 C8 G A 6 8.315 3.117 -2.413 1.00 0.00 C ATOM 78 N7 G A 6 8.482 2.063 -1.655 1.00 0.00 N ATOM 79 C5 G A 6 8.891 1.088 -2.522 1.00 0.00 C ATOM 80 C6 G A 6 9.213 -0.243 -2.240 1.00 0.00 C ATOM 81 O6 G A 6 9.193 -0.761 -1.119 1.00 0.00 O ATOM 82 N1 G A 6 9.590 -0.945 -3.418 1.00 0.00 N ATOM 83 C2 G A 6 9.649 -0.415 -4.720 1.00 0.00 C ATOM 84 N2 G A 6 10.033 -1.331 -5.652 1.00 0.00 N ATOM 85 N3 G A 6 9.330 0.886 -4.946 1.00 0.00 N ATOM 86 C4 G A 6 8.965 1.577 -3.830 1.00 0.00 C ATOM 0 H5' G A 6 5.173 6.498 -4.041 1.00 0.00 H new ATOM 0 H5'' G A 6 6.124 5.563 -2.903 1.00 0.00 H new ATOM 0 H4' G A 6 7.197 6.650 -5.503 1.00 0.00 H new ATOM 0 H3' G A 6 5.684 4.088 -5.001 1.00 0.00 H new ATOM 0 H2' G A 6 7.240 2.689 -6.173 1.00 0.00 H new ATOM 0 HO2' G A 6 7.573 4.600 -7.782 1.00 0.00 H new ATOM 0 H1' G A 6 9.537 3.761 -5.268 1.00 0.00 H new ATOM 0 H8 G A 6 7.988 4.068 -2.020 1.00 0.00 H new ATOM 0 H1 G A 6 9.842 -1.927 -3.308 1.00 0.00 H new ATOM 0 H21 G A 6 10.111 -1.059 -6.632 1.00 0.00 H new ATOM 0 H22 G A 6 10.243 -2.289 -5.370 1.00 0.00 H new ATOM 98 P C A 7 4.274 4.487 -7.133 1.00 0.00 P ATOM 99 OP1 C A 7 3.838 5.073 -8.422 1.00 0.00 O ATOM 100 OP2 C A 7 3.336 4.603 -5.993 1.00 0.00 O ATOM 101 O5' C A 7 4.646 2.968 -7.319 1.00 0.00 O ATOM 102 C5' C A 7 5.257 2.397 -8.468 1.00 0.00 C ATOM 103 C4' C A 7 5.345 0.849 -8.362 1.00 0.00 C ATOM 104 O4' C A 7 6.430 0.405 -7.480 1.00 0.00 O ATOM 105 C3' C A 7 4.088 0.219 -7.762 1.00 0.00 C ATOM 106 O3' C A 7 3.081 0.111 -8.770 1.00 0.00 O ATOM 107 C2' C A 7 4.581 -1.079 -7.137 1.00 0.00 C ATOM 108 O2' C A 7 4.487 -2.206 -8.001 1.00 0.00 O ATOM 109 C1' C A 7 6.051 -0.814 -6.796 1.00 0.00 C ATOM 110 N1 C A 7 6.171 -0.713 -5.320 1.00 0.00 N ATOM 111 C2 C A 7 6.417 -1.901 -4.537 1.00 0.00 C ATOM 112 O2 C A 7 6.614 -3.014 -5.056 1.00 0.00 O ATOM 113 N3 C A 7 6.428 -1.780 -3.165 1.00 0.00 N ATOM 114 C4 C A 7 6.216 -0.584 -2.555 1.00 0.00 C ATOM 115 N4 C A 7 6.206 -0.502 -1.191 1.00 0.00 N ATOM 116 C5 C A 7 5.981 0.591 -3.376 1.00 0.00 C ATOM 117 C6 C A 7 5.972 0.480 -4.687 1.00 0.00 C ATOM 0 H5' C A 7 6.258 2.811 -8.592 1.00 0.00 H new ATOM 0 H5'' C A 7 4.687 2.669 -9.357 1.00 0.00 H new ATOM 0 H4' C A 7 5.500 0.535 -9.394 1.00 0.00 H new ATOM 0 H3' C A 7 3.590 0.801 -6.986 1.00 0.00 H new ATOM 0 H2' C A 7 3.964 -1.332 -6.275 1.00 0.00 H new ATOM 0 HO2' C A 7 3.924 -2.891 -7.584 1.00 0.00 H new ATOM 0 H1' C A 7 6.719 -1.612 -7.120 1.00 0.00 H new ATOM 0 H41 C A 7 6.047 0.397 -0.735 1.00 0.00 H new ATOM 0 H42 C A 7 6.358 -1.339 -0.629 1.00 0.00 H new ATOM 0 H5 C A 7 5.814 1.552 -2.912 1.00 0.00 H new ATOM 0 H6 C A 7 5.801 1.364 -5.283 1.00 0.00 H new ATOM 129 P U A 8 1.573 -0.306 -8.566 1.00 0.00 P ATOM 130 OP1 U A 8 0.819 0.071 -9.782 1.00 0.00 O ATOM 131 OP2 U A 8 1.087 0.246 -7.281 1.00 0.00 O ATOM 132 O5' U A 8 1.693 -1.894 -8.529 1.00 0.00 O ATOM 133 C5' U A 8 1.101 -2.650 -7.489 1.00 0.00 C ATOM 134 C4' U A 8 1.530 -4.137 -7.523 1.00 0.00 C ATOM 135 O4' U A 8 2.874 -4.364 -6.994 1.00 0.00 O ATOM 136 C3' U A 8 0.608 -4.978 -6.655 1.00 0.00 C ATOM 137 O3' U A 8 -0.380 -5.581 -7.487 1.00 0.00 O ATOM 138 C2' U A 8 1.506 -6.027 -5.987 1.00 0.00 C ATOM 139 O2' U A 8 1.619 -7.262 -6.695 1.00 0.00 O ATOM 140 C1' U A 8 2.863 -5.320 -5.915 1.00 0.00 C ATOM 141 N1 U A 8 3.183 -4.691 -4.586 1.00 0.00 N ATOM 142 C2 U A 8 3.426 -5.556 -3.458 1.00 0.00 C ATOM 143 O2 U A 8 3.399 -6.793 -3.488 1.00 0.00 O ATOM 144 N3 U A 8 3.715 -4.877 -2.251 1.00 0.00 N ATOM 145 C4 U A 8 3.784 -3.470 -2.065 1.00 0.00 C ATOM 146 O4 U A 8 4.043 -2.978 -0.963 1.00 0.00 O ATOM 147 C5 U A 8 3.524 -2.695 -3.265 1.00 0.00 C ATOM 148 C6 U A 8 3.246 -3.311 -4.432 1.00 0.00 C ATOM 0 H5' U A 8 0.016 -2.586 -7.569 1.00 0.00 H new ATOM 0 H5'' U A 8 1.376 -2.217 -6.527 1.00 0.00 H new ATOM 0 H4' U A 8 1.491 -4.415 -8.576 1.00 0.00 H new ATOM 0 H3' U A 8 0.083 -4.395 -5.898 1.00 0.00 H new ATOM 0 H2' U A 8 1.093 -6.332 -5.025 1.00 0.00 H new ATOM 0 HO2' U A 8 0.945 -7.295 -7.405 1.00 0.00 H new ATOM 0 H1' U A 8 3.657 -6.059 -6.020 1.00 0.00 H new ATOM 0 H3 U A 8 3.892 -5.457 -1.431 1.00 0.00 H new ATOM 0 H5 U A 8 3.553 -1.616 -3.223 1.00 0.00 H new ATOM 0 H6 U A 8 3.061 -2.695 -5.299 1.00 0.00 H new ATOM 159 P G A 9 -1.925 -5.662 -7.243 1.00 0.00 P ATOM 160 OP1 G A 9 -2.507 -6.603 -8.228 1.00 0.00 O ATOM 161 OP2 G A 9 -2.477 -4.291 -7.244 1.00 0.00 O ATOM 162 O5' G A 9 -2.008 -6.280 -5.783 1.00 0.00 O ATOM 163 C5' G A 9 -1.847 -7.676 -5.536 1.00 0.00 C ATOM 164 C4' G A 9 -1.881 -8.032 -4.026 1.00 0.00 C ATOM 165 O4' G A 9 -0.632 -7.664 -3.349 1.00 0.00 O ATOM 166 C3' G A 9 -2.984 -7.327 -3.227 1.00 0.00 C ATOM 167 O3' G A 9 -4.232 -8.003 -3.359 1.00 0.00 O ATOM 168 C2' G A 9 -2.423 -7.300 -1.799 1.00 0.00 C ATOM 169 O2' G A 9 -2.684 -8.500 -1.068 1.00 0.00 O ATOM 170 C1' G A 9 -0.900 -7.140 -2.033 1.00 0.00 C ATOM 171 N9 G A 9 -0.353 -5.741 -1.940 1.00 0.00 N ATOM 172 C8 G A 9 -0.095 -4.847 -2.943 1.00 0.00 C ATOM 173 N7 G A 9 0.363 -3.687 -2.555 1.00 0.00 N ATOM 174 C5 G A 9 0.429 -3.787 -1.199 1.00 0.00 C ATOM 175 C6 G A 9 0.855 -2.818 -0.288 1.00 0.00 C ATOM 176 O6 G A 9 1.243 -1.688 -0.590 1.00 0.00 O ATOM 177 N1 G A 9 0.782 -3.293 1.043 1.00 0.00 N ATOM 178 C2 G A 9 0.343 -4.566 1.438 1.00 0.00 C ATOM 179 N2 G A 9 0.400 -4.742 2.778 1.00 0.00 N ATOM 180 N3 G A 9 -0.067 -5.485 0.522 1.00 0.00 N ATOM 181 C4 G A 9 -0.004 -5.046 -0.764 1.00 0.00 C ATOM 0 H5' G A 9 -0.899 -8.008 -5.961 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.636 -8.224 -6.051 1.00 0.00 H new ATOM 0 H4' G A 9 -2.057 -9.108 -4.037 1.00 0.00 H new ATOM 0 H3' G A 9 -3.214 -6.320 -3.575 1.00 0.00 H new ATOM 0 H2' G A 9 -2.879 -6.510 -1.202 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.427 -8.375 -0.131 1.00 0.00 H new ATOM 0 H1' G A 9 -0.399 -7.674 -1.225 1.00 0.00 H new ATOM 0 H8 G A 9 -0.259 -5.084 -3.984 1.00 0.00 H new ATOM 0 H1 G A 9 1.075 -2.653 1.781 1.00 0.00 H new ATOM 0 H21 G A 9 0.107 -5.628 3.189 1.00 0.00 H new ATOM 0 H22 G A 9 0.736 -3.988 3.377 1.00 0.00 H new ATOM 193 P A A 10 -5.478 -7.501 -4.220 1.00 0.00 P ATOM 194 OP1 A A 10 -6.153 -8.689 -4.791 1.00 0.00 O ATOM 195 OP2 A A 10 -5.056 -6.455 -5.181 1.00 0.00 O ATOM 196 O5' A A 10 -6.444 -6.818 -3.157 1.00 0.00 O ATOM 197 C5' A A 10 -6.915 -7.532 -2.014 1.00 0.00 C ATOM 198 C4' A A 10 -6.909 -6.655 -0.740 1.00 0.00 C ATOM 199 O4' A A 10 -7.030 -7.526 0.422 1.00 0.00 O ATOM 200 C3' A A 10 -5.622 -5.838 -0.521 1.00 0.00 C ATOM 201 O3' A A 10 -5.872 -4.441 -0.704 1.00 0.00 O ATOM 202 C2' A A 10 -5.084 -6.223 0.862 1.00 0.00 C ATOM 203 O2' A A 10 -4.808 -5.121 1.720 1.00 0.00 O ATOM 204 C1' A A 10 -6.167 -7.114 1.481 1.00 0.00 C ATOM 205 N9 A A 10 -5.618 -8.363 2.072 1.00 0.00 N ATOM 206 C8 A A 10 -4.920 -9.383 1.482 1.00 0.00 C ATOM 207 N7 A A 10 -4.593 -10.358 2.298 1.00 0.00 N ATOM 208 C5 A A 10 -5.100 -9.967 3.512 1.00 0.00 C ATOM 209 C6 A A 10 -5.059 -10.611 4.767 1.00 0.00 C ATOM 210 N6 A A 10 -4.442 -11.826 4.888 1.00 0.00 N ATOM 211 N1 A A 10 -5.678 -9.923 5.788 1.00 0.00 N ATOM 212 C2 A A 10 -6.256 -8.740 5.537 1.00 0.00 C ATOM 213 N3 A A 10 -6.344 -8.065 4.408 1.00 0.00 N ATOM 214 C4 A A 10 -5.737 -8.739 3.408 1.00 0.00 C ATOM 0 H5' A A 10 -6.290 -8.410 -1.852 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.927 -7.891 -2.202 1.00 0.00 H new ATOM 0 H4' A A 10 -7.735 -5.955 -0.868 1.00 0.00 H new ATOM 0 H3' A A 10 -4.852 -6.065 -1.259 1.00 0.00 H new ATOM 0 H2' A A 10 -4.120 -6.719 0.745 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.163 -4.523 1.287 1.00 0.00 H new ATOM 0 H1' A A 10 -6.661 -6.540 2.265 1.00 0.00 H new ATOM 0 H8 A A 10 -4.660 -9.385 0.434 1.00 0.00 H new ATOM 0 H61 A A 10 -4.411 -12.294 5.794 1.00 0.00 H new ATOM 0 H62 A A 10 -4.013 -12.264 4.072 1.00 0.00 H new ATOM 0 H2 A A 10 -6.721 -8.268 6.390 1.00 0.00 H new ATOM 226 P C A 11 -5.148 -3.608 -1.860 1.00 0.00 P ATOM 227 OP1 C A 11 -6.095 -3.411 -2.983 1.00 0.00 O ATOM 228 OP2 C A 11 -3.838 -4.211 -2.187 1.00 0.00 O ATOM 229 O5' C A 11 -4.843 -2.218 -1.164 1.00 0.00 O ATOM 230 C5' C A 11 -5.898 -1.350 -0.769 1.00 0.00 C ATOM 231 C4' C A 11 -5.570 -0.607 0.537 1.00 0.00 C ATOM 232 O4' C A 11 -6.757 0.112 0.985 1.00 0.00 O ATOM 233 C3' C A 11 -5.233 -1.533 1.713 1.00 0.00 C ATOM 234 O3' C A 11 -3.875 -1.332 2.088 1.00 0.00 O ATOM 235 C2' C A 11 -6.232 -1.189 2.825 1.00 0.00 C ATOM 236 O2' C A 11 -5.714 -1.216 4.149 1.00 0.00 O ATOM 237 C1' C A 11 -6.789 0.170 2.414 1.00 0.00 C ATOM 238 N1 C A 11 -8.187 0.335 2.949 1.00 0.00 N ATOM 239 C2 C A 11 -8.402 0.890 4.273 1.00 0.00 C ATOM 240 O2 C A 11 -7.460 1.266 5.001 1.00 0.00 O ATOM 241 N3 C A 11 -9.704 0.996 4.728 1.00 0.00 N ATOM 242 C4 C A 11 -10.761 0.595 3.969 1.00 0.00 C ATOM 243 N4 C A 11 -12.048 0.685 4.418 1.00 0.00 N ATOM 244 C5 C A 11 -10.529 0.048 2.652 1.00 0.00 C ATOM 245 C6 C A 11 -9.283 -0.058 2.208 1.00 0.00 C ATOM 0 H5' C A 11 -6.813 -1.927 -0.638 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.088 -0.626 -1.561 1.00 0.00 H new ATOM 0 H4' C A 11 -4.713 0.023 0.299 1.00 0.00 H new ATOM 0 H3' C A 11 -5.324 -2.592 1.470 1.00 0.00 H new ATOM 0 H2' C A 11 -7.002 -1.956 2.900 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.258 -0.639 4.725 1.00 0.00 H new ATOM 0 H1' C A 11 -6.229 1.021 2.801 1.00 0.00 H new ATOM 0 H41 C A 11 -12.818 0.376 3.825 1.00 0.00 H new ATOM 0 H42 C A 11 -12.239 1.061 5.347 1.00 0.00 H new ATOM 0 H5 C A 11 -11.358 -0.270 2.037 1.00 0.00 H new ATOM 0 H6 C A 11 -9.119 -0.470 1.223 1.00 0.00 H new ATOM 257 P A A 12 -2.602 -2.245 1.917 1.00 0.00 P ATOM 258 OP1 A A 12 -1.409 -1.407 2.180 1.00 0.00 O ATOM 259 OP2 A A 12 -2.647 -2.937 0.610 1.00 0.00 O ATOM 260 O5' A A 12 -2.737 -3.334 3.060 1.00 0.00 O ATOM 261 C5' A A 12 -2.768 -2.982 4.440 1.00 0.00 C ATOM 262 C4' A A 12 -2.817 -4.204 5.391 1.00 0.00 C ATOM 263 O4' A A 12 -3.472 -5.365 4.771 1.00 0.00 O ATOM 264 C3' A A 12 -1.449 -4.740 5.795 1.00 0.00 C ATOM 265 O3' A A 12 -0.823 -3.945 6.807 1.00 0.00 O ATOM 266 C2' A A 12 -1.759 -6.171 6.232 1.00 0.00 C ATOM 267 O2' A A 12 -2.194 -6.295 7.585 1.00 0.00 O ATOM 268 C1' A A 12 -2.859 -6.580 5.234 1.00 0.00 C ATOM 269 N9 A A 12 -2.396 -7.458 4.101 1.00 0.00 N ATOM 270 C8 A A 12 -2.305 -7.218 2.748 1.00 0.00 C ATOM 271 N7 A A 12 -1.889 -8.234 2.038 1.00 0.00 N ATOM 272 C5 A A 12 -1.678 -9.230 2.948 1.00 0.00 C ATOM 273 C6 A A 12 -1.230 -10.550 2.745 1.00 0.00 C ATOM 274 N6 A A 12 -0.970 -10.981 1.471 1.00 0.00 N ATOM 275 N1 A A 12 -1.117 -11.305 3.885 1.00 0.00 N ATOM 276 C2 A A 12 -1.428 -10.773 5.072 1.00 0.00 C ATOM 277 N3 A A 12 -1.863 -9.547 5.365 1.00 0.00 N ATOM 278 C4 A A 12 -1.971 -8.800 4.236 1.00 0.00 C ATOM 0 H5' A A 12 -3.638 -2.352 4.626 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.886 -2.385 4.674 1.00 0.00 H new ATOM 0 H4' A A 12 -3.358 -3.810 6.252 1.00 0.00 H new ATOM 0 H3' A A 12 -0.715 -4.708 4.990 1.00 0.00 H new ATOM 0 H2' A A 12 -0.873 -6.805 6.216 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.965 -5.480 8.078 1.00 0.00 H new ATOM 0 H1' A A 12 -3.578 -7.218 5.749 1.00 0.00 H new ATOM 0 H8 A A 12 -2.558 -6.265 2.308 1.00 0.00 H new ATOM 0 H61 A A 12 -0.645 -11.935 1.312 1.00 0.00 H new ATOM 0 H62 A A 12 -1.101 -10.348 0.682 1.00 0.00 H new ATOM 0 H2 A A 12 -1.309 -11.434 5.918 1.00 0.00 H new ATOM 290 P A A 13 0.707 -3.509 6.706 1.00 0.00 P ATOM 291 OP1 A A 13 0.977 -2.487 7.744 1.00 0.00 O ATOM 292 OP2 A A 13 1.020 -3.131 5.309 1.00 0.00 O ATOM 293 O5' A A 13 1.494 -4.849 7.046 1.00 0.00 O ATOM 294 C5' A A 13 1.491 -5.391 8.365 1.00 0.00 C ATOM 295 C4' A A 13 1.839 -6.898 8.397 1.00 0.00 C ATOM 296 O4' A A 13 0.880 -7.690 7.610 1.00 0.00 O ATOM 297 C3' A A 13 3.193 -7.273 7.789 1.00 0.00 C ATOM 298 O3' A A 13 4.306 -7.042 8.656 1.00 0.00 O ATOM 299 C2' A A 13 2.993 -8.754 7.455 1.00 0.00 C ATOM 300 O2' A A 13 3.110 -9.631 8.578 1.00 0.00 O ATOM 301 C1' A A 13 1.563 -8.744 6.895 1.00 0.00 C ATOM 302 N9 A A 13 1.493 -8.560 5.402 1.00 0.00 N ATOM 303 C8 A A 13 1.129 -7.462 4.681 1.00 0.00 C ATOM 304 N7 A A 13 1.171 -7.610 3.384 1.00 0.00 N ATOM 305 C5 A A 13 1.593 -8.889 3.198 1.00 0.00 C ATOM 306 C6 A A 13 1.819 -9.587 1.998 1.00 0.00 C ATOM 307 N6 A A 13 1.602 -8.961 0.798 1.00 0.00 N ATOM 308 N1 A A 13 2.248 -10.882 2.159 1.00 0.00 N ATOM 309 C2 A A 13 2.419 -11.384 3.387 1.00 0.00 C ATOM 310 N3 A A 13 2.231 -10.805 4.575 1.00 0.00 N ATOM 311 C4 A A 13 1.808 -9.525 4.416 1.00 0.00 C ATOM 0 H5' A A 13 0.508 -5.241 8.812 1.00 0.00 H new ATOM 0 H5'' A A 13 2.207 -4.845 8.979 1.00 0.00 H new ATOM 0 H4' A A 13 1.830 -7.112 9.466 1.00 0.00 H new ATOM 0 H3' A A 13 3.452 -6.658 6.927 1.00 0.00 H new ATOM 0 H2' A A 13 3.756 -9.136 6.777 1.00 0.00 H new ATOM 0 HO2' A A 13 3.602 -9.180 9.296 1.00 0.00 H new ATOM 0 H1' A A 13 1.090 -9.714 7.047 1.00 0.00 H new ATOM 0 H8 A A 13 0.828 -6.536 5.149 1.00 0.00 H new ATOM 0 H61 A A 13 1.764 -9.462 -0.075 1.00 0.00 H new ATOM 0 H62 A A 13 1.278 -7.994 0.779 1.00 0.00 H new ATOM 0 H2 A A 13 2.759 -12.408 3.423 1.00 0.00 H new ATOM 323 P A A 14 5.655 -6.387 8.105 1.00 0.00 P ATOM 324 OP1 A A 14 6.627 -6.314 9.221 1.00 0.00 O ATOM 325 OP2 A A 14 5.332 -5.111 7.425 1.00 0.00 O ATOM 326 O5' A A 14 6.178 -7.416 7.005 1.00 0.00 O ATOM 327 C5' A A 14 6.664 -8.706 7.359 1.00 0.00 C ATOM 328 C4' A A 14 6.789 -9.689 6.166 1.00 0.00 C ATOM 329 O4' A A 14 5.494 -9.936 5.512 1.00 0.00 O ATOM 330 C3' A A 14 7.702 -9.232 5.027 1.00 0.00 C ATOM 331 O3' A A 14 9.079 -9.498 5.288 1.00 0.00 O ATOM 332 C2' A A 14 7.128 -10.006 3.829 1.00 0.00 C ATOM 333 O2' A A 14 7.543 -11.371 3.759 1.00 0.00 O ATOM 334 C1' A A 14 5.622 -9.893 4.079 1.00 0.00 C ATOM 335 N9 A A 14 5.029 -8.627 3.511 1.00 0.00 N ATOM 336 C8 A A 14 4.569 -7.536 4.182 1.00 0.00 C ATOM 337 N7 A A 14 4.132 -6.556 3.435 1.00 0.00 N ATOM 338 C5 A A 14 4.303 -7.011 2.157 1.00 0.00 C ATOM 339 C6 A A 14 4.006 -6.379 0.935 1.00 0.00 C ATOM 340 N6 A A 14 3.465 -5.126 0.943 1.00 0.00 N ATOM 341 N1 A A 14 4.299 -7.110 -0.186 1.00 0.00 N ATOM 342 C2 A A 14 4.828 -8.332 -0.064 1.00 0.00 C ATOM 343 N3 A A 14 5.144 -9.017 1.040 1.00 0.00 N ATOM 344 C4 A A 14 4.853 -8.289 2.149 1.00 0.00 C ATOM 0 H5' A A 14 5.998 -9.140 8.105 1.00 0.00 H new ATOM 0 H5'' A A 14 7.641 -8.597 7.829 1.00 0.00 H new ATOM 0 H4' A A 14 7.208 -10.571 6.650 1.00 0.00 H new ATOM 0 H3' A A 14 7.707 -8.154 4.865 1.00 0.00 H new ATOM 0 H2' A A 14 7.469 -9.602 2.876 1.00 0.00 H new ATOM 0 HO2' A A 14 7.138 -11.796 2.975 1.00 0.00 H new ATOM 0 H1' A A 14 5.075 -10.694 3.582 1.00 0.00 H new ATOM 0 H8 A A 14 4.565 -7.483 5.261 1.00 0.00 H new ATOM 0 H61 A A 14 3.246 -4.659 0.063 1.00 0.00 H new ATOM 0 H62 A A 14 3.280 -4.656 1.829 1.00 0.00 H new ATOM 0 H2 A A 14 5.030 -8.841 -0.995 1.00 0.00 H new ATOM 356 P G A 15 10.245 -8.561 4.727 1.00 0.00 P ATOM 357 OP1 G A 15 11.532 -9.028 5.298 1.00 0.00 O ATOM 358 OP2 G A 15 9.897 -7.141 4.963 1.00 0.00 O ATOM 359 O5' G A 15 10.239 -8.824 3.153 1.00 0.00 O ATOM 360 C5' G A 15 10.521 -10.123 2.642 1.00 0.00 C ATOM 361 C4' G A 15 10.035 -10.325 1.188 1.00 0.00 C ATOM 362 O4' G A 15 8.637 -9.958 0.972 1.00 0.00 O ATOM 363 C3' G A 15 10.823 -9.571 0.125 1.00 0.00 C ATOM 364 O3' G A 15 12.000 -10.297 -0.227 1.00 0.00 O ATOM 365 C2' G A 15 9.809 -9.441 -1.015 1.00 0.00 C ATOM 366 O2' G A 15 9.759 -10.562 -1.898 1.00 0.00 O ATOM 367 C1' G A 15 8.490 -9.245 -0.262 1.00 0.00 C ATOM 368 N9 G A 15 8.085 -7.825 0.009 1.00 0.00 N ATOM 369 C8 G A 15 7.969 -7.188 1.207 1.00 0.00 C ATOM 370 N7 G A 15 7.602 -5.927 1.131 1.00 0.00 N ATOM 371 C5 G A 15 7.456 -5.691 -0.212 1.00 0.00 C ATOM 372 C6 G A 15 7.077 -4.499 -0.865 1.00 0.00 C ATOM 373 O6 G A 15 6.812 -3.419 -0.314 1.00 0.00 O ATOM 374 N1 G A 15 7.045 -4.681 -2.281 1.00 0.00 N ATOM 375 C2 G A 15 7.345 -5.868 -2.974 1.00 0.00 C ATOM 376 N2 G A 15 7.229 -5.747 -4.325 1.00 0.00 N ATOM 377 N3 G A 15 7.708 -6.989 -2.301 1.00 0.00 N ATOM 378 C4 G A 15 7.746 -6.847 -0.949 1.00 0.00 C ATOM 0 H5' G A 15 10.050 -10.868 3.283 1.00 0.00 H new ATOM 0 H5'' G A 15 11.596 -10.298 2.687 1.00 0.00 H new ATOM 0 H4' G A 15 10.188 -11.398 1.072 1.00 0.00 H new ATOM 0 H3' G A 15 11.199 -8.596 0.436 1.00 0.00 H new ATOM 0 H2' G A 15 10.066 -8.627 -1.693 1.00 0.00 H new ATOM 0 HO2' G A 15 10.543 -11.131 -1.749 1.00 0.00 H new ATOM 0 H1' G A 15 7.687 -9.616 -0.899 1.00 0.00 H new ATOM 0 H8 G A 15 8.164 -7.681 2.148 1.00 0.00 H new ATOM 0 H1 G A 15 6.779 -3.873 -2.844 1.00 0.00 H new ATOM 0 H21 G A 15 7.423 -6.547 -4.927 1.00 0.00 H new ATOM 0 H22 G A 15 6.948 -4.856 -4.735 1.00 0.00 H new ATOM 390 P C A 16 13.423 -9.620 -0.416 1.00 0.00 P ATOM 391 OP1 C A 16 14.443 -10.688 -0.530 1.00 0.00 O ATOM 392 OP2 C A 16 13.640 -8.607 0.643 1.00 0.00 O ATOM 393 O5' C A 16 13.278 -8.869 -1.805 1.00 0.00 O ATOM 394 C5' C A 16 13.143 -9.580 -3.033 1.00 0.00 C ATOM 395 C4' C A 16 12.658 -8.675 -4.189 1.00 0.00 C ATOM 396 O4' C A 16 11.286 -8.184 -3.972 1.00 0.00 O ATOM 397 C3' C A 16 13.486 -7.400 -4.395 1.00 0.00 C ATOM 398 O3' C A 16 14.694 -7.651 -5.111 1.00 0.00 O ATOM 399 C2' C A 16 12.495 -6.489 -5.117 1.00 0.00 C ATOM 400 O2' C A 16 12.359 -6.756 -6.512 1.00 0.00 O ATOM 401 C1' C A 16 11.198 -6.784 -4.332 1.00 0.00 C ATOM 402 N1 C A 16 10.918 -5.891 -3.132 1.00 0.00 N ATOM 403 C2 C A 16 10.489 -4.530 -3.372 1.00 0.00 C ATOM 404 O2 C A 16 10.342 -4.063 -4.518 1.00 0.00 O ATOM 405 N3 C A 16 10.236 -3.725 -2.282 1.00 0.00 N ATOM 406 C4 C A 16 10.377 -4.167 -1.007 1.00 0.00 C ATOM 407 N4 C A 16 10.125 -3.364 0.065 1.00 0.00 N ATOM 408 C5 C A 16 10.803 -5.518 -0.760 1.00 0.00 C ATOM 409 C6 C A 16 11.051 -6.314 -1.809 1.00 0.00 C ATOM 0 H5' C A 16 12.439 -10.401 -2.898 1.00 0.00 H new ATOM 0 H5'' C A 16 14.102 -10.023 -3.300 1.00 0.00 H new ATOM 0 H4' C A 16 12.746 -9.333 -5.053 1.00 0.00 H new ATOM 0 H3' C A 16 13.860 -6.950 -3.475 1.00 0.00 H new ATOM 0 H2' C A 16 12.802 -5.443 -5.120 1.00 0.00 H new ATOM 0 HO2' C A 16 13.138 -7.261 -6.826 1.00 0.00 H new ATOM 0 H1' C A 16 10.340 -6.558 -4.965 1.00 0.00 H new ATOM 0 H41 C A 16 10.240 -3.726 1.012 1.00 0.00 H new ATOM 0 H42 C A 16 9.821 -2.401 -0.079 1.00 0.00 H new ATOM 0 H5 C A 16 10.921 -5.883 0.250 1.00 0.00 H new ATOM 0 H6 C A 16 11.368 -7.329 -1.622 1.00 0.00 H new ATOM 421 P G A 17 16.050 -6.868 -4.808 1.00 0.00 P ATOM 422 OP1 G A 17 17.166 -7.600 -5.453 1.00 0.00 O ATOM 423 OP2 G A 17 16.180 -6.624 -3.353 1.00 0.00 O ATOM 424 O5' G A 17 15.833 -5.466 -5.533 1.00 0.00 O ATOM 425 C5' G A 17 15.795 -5.407 -6.960 1.00 0.00 C ATOM 426 C4' G A 17 15.242 -4.067 -7.493 1.00 0.00 C ATOM 427 O4' G A 17 13.917 -3.773 -6.934 1.00 0.00 O ATOM 428 C3' G A 17 16.079 -2.827 -7.154 1.00 0.00 C ATOM 429 O3' G A 17 17.187 -2.670 -8.044 1.00 0.00 O ATOM 430 C2' G A 17 15.052 -1.699 -7.268 1.00 0.00 C ATOM 431 O2' G A 17 14.790 -1.294 -8.615 1.00 0.00 O ATOM 432 C1' G A 17 13.807 -2.365 -6.651 1.00 0.00 C ATOM 433 N9 G A 17 13.480 -2.102 -5.210 1.00 0.00 N ATOM 434 C8 G A 17 13.424 -2.966 -4.151 1.00 0.00 C ATOM 435 N7 G A 17 13.074 -2.427 -3.014 1.00 0.00 N ATOM 436 C5 G A 17 12.874 -1.112 -3.304 1.00 0.00 C ATOM 437 C6 G A 17 12.483 -0.088 -2.437 1.00 0.00 C ATOM 438 O6 G A 17 12.245 -0.224 -1.233 1.00 0.00 O ATOM 439 N1 G A 17 12.383 1.156 -3.117 1.00 0.00 N ATOM 440 C2 G A 17 12.635 1.377 -4.487 1.00 0.00 C ATOM 441 N2 G A 17 12.459 2.674 -4.861 1.00 0.00 N ATOM 442 N3 G A 17 13.013 0.348 -5.292 1.00 0.00 N ATOM 443 C4 G A 17 13.114 -0.855 -4.658 1.00 0.00 C ATOM 0 H5' G A 17 15.178 -6.224 -7.336 1.00 0.00 H new ATOM 0 H5'' G A 17 16.801 -5.560 -7.352 1.00 0.00 H new ATOM 0 H4' G A 17 15.241 -4.228 -8.571 1.00 0.00 H new ATOM 0 H3' G A 17 16.552 -2.869 -6.173 1.00 0.00 H new ATOM 0 H2' G A 17 15.383 -0.780 -6.784 1.00 0.00 H new ATOM 0 HO2' G A 17 15.534 -1.570 -9.190 1.00 0.00 H new ATOM 0 H1' G A 17 12.947 -1.887 -7.120 1.00 0.00 H new ATOM 0 H8 G A 17 13.653 -4.017 -4.248 1.00 0.00 H new ATOM 0 H1 G A 17 12.103 1.965 -2.562 1.00 0.00 H new ATOM 0 H21 G A 17 12.614 2.951 -5.831 1.00 0.00 H new ATOM 0 H22 G A 17 12.173 3.369 -4.172 1.00 0.00 H new ATOM 455 P C A 18 18.603 -2.143 -7.548 1.00 0.00 P ATOM 456 OP1 C A 18 19.546 -2.185 -8.691 1.00 0.00 O ATOM 457 OP2 C A 18 19.007 -2.886 -6.331 1.00 0.00 O ATOM 458 O5' C A 18 18.318 -0.634 -7.140 1.00 0.00 O ATOM 459 C5' C A 18 18.078 0.384 -8.108 1.00 0.00 C ATOM 460 C4' C A 18 17.673 1.734 -7.464 1.00 0.00 C ATOM 461 O4' C A 18 16.397 1.629 -6.755 1.00 0.00 O ATOM 462 C3' C A 18 18.659 2.263 -6.426 1.00 0.00 C ATOM 463 O3' C A 18 19.715 3.019 -7.014 1.00 0.00 O ATOM 464 C2' C A 18 17.804 3.046 -5.429 1.00 0.00 C ATOM 465 O2' C A 18 17.672 4.438 -5.722 1.00 0.00 O ATOM 466 C1' C A 18 16.435 2.347 -5.504 1.00 0.00 C ATOM 467 N1 C A 18 16.151 1.489 -4.312 1.00 0.00 N ATOM 468 C2 C A 18 15.769 2.096 -3.052 1.00 0.00 C ATOM 469 O2 C A 18 15.654 3.329 -2.909 1.00 0.00 O ATOM 470 N3 C A 18 15.523 1.262 -1.980 1.00 0.00 N ATOM 471 C4 C A 18 15.632 -0.089 -2.094 1.00 0.00 C ATOM 472 N4 C A 18 15.393 -0.926 -1.043 1.00 0.00 N ATOM 473 C5 C A 18 16.011 -0.668 -3.358 1.00 0.00 C ATOM 474 C6 C A 18 16.252 0.130 -4.390 1.00 0.00 C ATOM 0 H5' C A 18 17.289 0.057 -8.785 1.00 0.00 H new ATOM 0 H5'' C A 18 18.976 0.527 -8.710 1.00 0.00 H new ATOM 0 H4' C A 18 17.633 2.412 -8.316 1.00 0.00 H new ATOM 0 H3' C A 18 19.194 1.461 -5.918 1.00 0.00 H new ATOM 0 H2' C A 18 18.265 3.037 -4.441 1.00 0.00 H new ATOM 0 HO2' C A 18 18.359 4.703 -6.369 1.00 0.00 H new ATOM 0 HO3' C A 18 20.319 3.338 -6.312 1.00 0.00 H new ATOM 0 H1' C A 18 15.632 3.083 -5.478 1.00 0.00 H new ATOM 0 H41 C A 18 15.484 -1.935 -1.163 1.00 0.00 H new ATOM 0 H42 C A 18 15.123 -0.543 -0.137 1.00 0.00 H new ATOM 0 H5 C A 18 16.098 -1.739 -3.464 1.00 0.00 H new ATOM 0 H6 C A 18 16.540 -0.314 -5.331 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.060 1.754 5.431 1.00 0.00 N ATOM 489 CA ASN B 1 9.305 1.464 4.182 1.00 0.00 C ATOM 490 C ASN B 1 8.119 2.395 4.013 1.00 0.00 C ATOM 491 O ASN B 1 7.409 2.694 4.980 1.00 0.00 O ATOM 492 CB ASN B 1 8.865 -0.037 4.158 1.00 0.00 C ATOM 493 CG ASN B 1 8.579 -0.559 2.735 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.494 -1.038 2.055 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.285 -0.494 2.297 1.00 0.00 N ATOM 0 H1 ASN B 1 11.040 2.008 5.193 1.00 0.00 H new ATOM 0 H2 ASN B 1 9.609 2.545 5.933 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.059 0.912 6.041 1.00 0.00 H new ATOM 0 HA ASN B 1 9.966 1.644 3.334 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.646 -0.646 4.612 1.00 0.00 H new ATOM 0 HB3 ASN B 1 7.971 -0.158 4.770 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.041 -0.850 1.373 1.00 0.00 H new ATOM 0 HD22 ASN B 1 6.564 -0.090 2.895 1.00 0.00 H new ATOM 503 N ALA B 2 7.890 2.859 2.747 1.00 0.00 N ATOM 504 CA ALA B 2 6.797 3.732 2.363 1.00 0.00 C ATOM 505 C ALA B 2 5.626 2.838 1.999 1.00 0.00 C ATOM 506 O ALA B 2 5.424 2.452 0.842 1.00 0.00 O ATOM 507 CB ALA B 2 7.157 4.731 1.248 1.00 0.00 C ATOM 0 H ALA B 2 8.493 2.614 1.962 1.00 0.00 H new ATOM 0 HA ALA B 2 6.539 4.381 3.200 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.288 5.348 1.017 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.976 5.368 1.581 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.462 4.185 0.355 1.00 0.00 H new ATOM 513 N LYS B 3 4.858 2.469 3.061 1.00 0.00 N ATOM 514 CA LYS B 3 3.681 1.630 3.063 1.00 0.00 C ATOM 515 C LYS B 3 2.447 2.536 3.044 1.00 0.00 C ATOM 516 O LYS B 3 1.647 2.460 2.113 1.00 0.00 O ATOM 517 CB LYS B 3 3.671 0.635 4.275 1.00 0.00 C ATOM 518 CG LYS B 3 2.851 -0.671 4.093 1.00 0.00 C ATOM 519 CD LYS B 3 3.492 -1.781 3.214 1.00 0.00 C ATOM 520 CE LYS B 3 4.738 -2.461 3.823 1.00 0.00 C ATOM 521 NZ LYS B 3 5.326 -3.466 2.906 1.00 0.00 N ATOM 0 H LYS B 3 5.086 2.790 4.002 1.00 0.00 H new ATOM 0 HA LYS B 3 3.679 1.000 2.174 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.702 0.362 4.501 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.283 1.163 5.146 1.00 0.00 H new ATOM 0 HG2 LYS B 3 2.654 -1.090 5.080 1.00 0.00 H new ATOM 0 HG3 LYS B 3 1.886 -0.409 3.660 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.740 -2.545 3.016 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.767 -1.348 2.252 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.486 -1.704 4.058 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.466 -2.943 4.762 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.356 -3.501 3.044 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 4.918 -4.401 3.108 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.117 -3.202 1.922 1.00 0.00 H new ATOM 535 N THR B 4 2.299 3.428 4.077 1.00 0.00 N ATOM 536 CA THR B 4 1.216 4.391 4.298 1.00 0.00 C ATOM 537 C THR B 4 1.115 5.468 3.224 1.00 0.00 C ATOM 538 O THR B 4 0.006 5.801 2.806 1.00 0.00 O ATOM 539 CB THR B 4 1.197 5.052 5.695 1.00 0.00 C ATOM 540 OG1 THR B 4 2.471 5.576 6.071 1.00 0.00 O ATOM 541 CG2 THR B 4 0.685 4.054 6.765 1.00 0.00 C ATOM 0 H THR B 4 2.996 3.480 4.820 1.00 0.00 H new ATOM 0 HA THR B 4 0.334 3.754 4.233 1.00 0.00 H new ATOM 0 HB THR B 4 0.509 5.896 5.635 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.407 5.984 6.960 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.679 4.539 7.741 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.326 3.736 6.512 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.342 3.185 6.795 1.00 0.00 H new ATOM 549 N ARG B 5 2.267 6.023 2.759 1.00 0.00 N ATOM 550 CA ARG B 5 2.409 7.059 1.746 1.00 0.00 C ATOM 551 C ARG B 5 1.747 6.657 0.425 1.00 0.00 C ATOM 552 O ARG B 5 0.929 7.430 -0.085 1.00 0.00 O ATOM 553 CB ARG B 5 3.904 7.489 1.603 1.00 0.00 C ATOM 554 CG ARG B 5 4.445 8.459 2.695 1.00 0.00 C ATOM 555 CD ARG B 5 4.365 7.960 4.155 1.00 0.00 C ATOM 556 NE ARG B 5 5.018 8.961 5.070 1.00 0.00 N ATOM 557 CZ ARG B 5 5.229 8.790 6.416 1.00 0.00 C ATOM 558 NH1 ARG B 5 4.705 7.748 7.130 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.997 9.710 7.074 1.00 0.00 N ATOM 0 H ARG B 5 3.174 5.725 3.119 1.00 0.00 H new ATOM 0 HA ARG B 5 1.867 7.946 2.074 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.521 6.591 1.606 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.034 7.962 0.629 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.487 8.684 2.467 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.894 9.397 2.623 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.324 7.815 4.443 1.00 0.00 H new ATOM 0 HD3 ARG B 5 4.859 6.993 4.246 1.00 0.00 H new ATOM 0 HE ARG B 5 5.330 9.839 4.656 1.00 0.00 H new ATOM 0 HH11 ARG B 5 4.126 7.050 6.663 1.00 0.00 H new ATOM 0 HH12 ARG B 5 4.893 7.669 8.129 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.397 10.498 6.565 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.170 9.608 8.074 1.00 0.00 H new ATOM 573 N ARG B 6 2.035 5.430 -0.119 1.00 0.00 N ATOM 574 CA ARG B 6 1.415 4.870 -1.322 1.00 0.00 C ATOM 575 C ARG B 6 -0.050 4.502 -1.046 1.00 0.00 C ATOM 576 O ARG B 6 -0.925 4.865 -1.840 1.00 0.00 O ATOM 577 CB ARG B 6 2.176 3.673 -1.977 1.00 0.00 C ATOM 578 CG ARG B 6 2.457 2.439 -1.083 1.00 0.00 C ATOM 579 CD ARG B 6 3.098 1.248 -1.810 1.00 0.00 C ATOM 580 NE ARG B 6 2.052 0.368 -2.453 1.00 0.00 N ATOM 581 CZ ARG B 6 1.774 0.283 -3.793 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.172 1.229 -4.694 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.086 -0.806 -4.260 1.00 0.00 N ATOM 0 H ARG B 6 2.726 4.804 0.294 1.00 0.00 H new ATOM 0 HA ARG B 6 1.471 5.666 -2.065 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.602 3.340 -2.842 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.130 4.043 -2.351 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.111 2.742 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.519 2.111 -0.636 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.787 1.613 -2.572 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.685 0.661 -1.103 1.00 0.00 H new ATOM 0 HE ARG B 6 1.499 -0.220 -1.830 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.700 2.043 -4.379 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.941 1.122 -5.682 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.789 -1.537 -3.614 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.871 -0.885 -5.254 1.00 0.00 H new ATOM 597 N HIS B 7 -0.336 3.790 0.099 1.00 0.00 N ATOM 598 CA HIS B 7 -1.625 3.352 0.607 1.00 0.00 C ATOM 599 C HIS B 7 -2.659 4.463 0.550 1.00 0.00 C ATOM 600 O HIS B 7 -3.700 4.216 -0.033 1.00 0.00 O ATOM 601 CB HIS B 7 -1.520 2.746 2.040 1.00 0.00 C ATOM 602 CG HIS B 7 -2.797 2.557 2.826 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.230 1.343 3.282 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.645 3.485 3.329 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.295 1.537 4.045 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.563 2.829 4.097 1.00 0.00 N ATOM 0 H HIS B 7 0.418 3.498 0.721 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.964 2.553 -0.052 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -1.032 1.775 1.957 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.859 3.385 2.625 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -2.805 0.440 3.070 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.603 4.550 3.154 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.856 0.761 4.545 1.00 0.00 H new ATOM 615 N GLU B 8 -2.413 5.685 1.117 1.00 0.00 N ATOM 616 CA GLU B 8 -3.273 6.869 1.150 1.00 0.00 C ATOM 617 C GLU B 8 -4.197 7.025 -0.079 1.00 0.00 C ATOM 618 O GLU B 8 -5.416 7.028 0.091 1.00 0.00 O ATOM 619 CB GLU B 8 -2.419 8.157 1.410 1.00 0.00 C ATOM 620 CG GLU B 8 -3.215 9.422 1.817 1.00 0.00 C ATOM 621 CD GLU B 8 -2.274 10.604 2.075 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.690 11.136 1.091 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.139 11.001 3.264 1.00 0.00 O ATOM 0 H GLU B 8 -1.530 5.861 1.597 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.958 6.723 1.985 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.695 7.938 2.195 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.852 8.382 0.507 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.922 9.681 1.028 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -3.799 9.215 2.714 1.00 0.00 H new ATOM 630 N ARG B 9 -3.638 7.113 -1.330 1.00 0.00 N ATOM 631 CA ARG B 9 -4.354 7.233 -2.603 1.00 0.00 C ATOM 632 C ARG B 9 -5.081 5.929 -2.972 1.00 0.00 C ATOM 633 O ARG B 9 -6.284 5.957 -3.231 1.00 0.00 O ATOM 634 CB ARG B 9 -3.403 7.709 -3.751 1.00 0.00 C ATOM 635 CG ARG B 9 -4.088 8.089 -5.088 1.00 0.00 C ATOM 636 CD ARG B 9 -3.118 8.585 -6.178 1.00 0.00 C ATOM 637 NE ARG B 9 -3.900 8.892 -7.436 1.00 0.00 N ATOM 638 CZ ARG B 9 -4.003 8.087 -8.547 1.00 0.00 C ATOM 639 NH1 ARG B 9 -3.397 6.866 -8.639 1.00 0.00 N ATOM 640 NH2 ARG B 9 -4.747 8.532 -9.604 1.00 0.00 N ATOM 0 H ARG B 9 -2.627 7.100 -1.461 1.00 0.00 H new ATOM 0 HA ARG B 9 -5.118 8.000 -2.474 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.841 8.573 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.680 6.918 -3.948 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -4.628 7.221 -5.466 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -4.828 8.866 -4.896 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -2.592 9.476 -5.836 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -2.362 7.827 -6.381 1.00 0.00 H new ATOM 0 HE ARG B 9 -4.399 9.781 -7.463 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -2.838 6.514 -7.862 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -3.504 6.306 -9.485 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -5.209 9.440 -9.556 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -4.840 7.956 -10.440 1.00 0.00 H new ATOM 654 N ARG B 10 -4.363 4.764 -2.981 1.00 0.00 N ATOM 655 CA ARG B 10 -4.828 3.402 -3.263 1.00 0.00 C ATOM 656 C ARG B 10 -6.055 3.020 -2.401 1.00 0.00 C ATOM 657 O ARG B 10 -7.011 2.445 -2.921 1.00 0.00 O ATOM 658 CB ARG B 10 -3.607 2.441 -3.066 1.00 0.00 C ATOM 659 CG ARG B 10 -3.735 0.951 -3.458 1.00 0.00 C ATOM 660 CD ARG B 10 -2.390 0.201 -3.312 1.00 0.00 C ATOM 661 NE ARG B 10 -2.578 -1.282 -3.509 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.216 -2.022 -4.605 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.748 -1.480 -5.764 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.346 -3.378 -4.507 1.00 0.00 N ATOM 0 H ARG B 10 -3.365 4.774 -2.772 1.00 0.00 H new ATOM 0 HA ARG B 10 -5.184 3.322 -4.290 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.772 2.856 -3.630 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.330 2.478 -2.012 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.487 0.473 -2.830 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.084 0.875 -4.488 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.676 0.581 -4.042 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.968 0.390 -2.325 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.023 -1.790 -2.744 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.650 -0.468 -5.851 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.495 -2.086 -6.545 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.699 -3.796 -3.646 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.090 -3.973 -5.295 1.00 0.00 H new ATOM 678 N ARG B 11 -6.054 3.389 -1.081 1.00 0.00 N ATOM 679 CA ARG B 11 -7.049 3.263 -0.036 1.00 0.00 C ATOM 680 C ARG B 11 -8.360 3.848 -0.532 1.00 0.00 C ATOM 681 O ARG B 11 -9.320 3.086 -0.581 1.00 0.00 O ATOM 682 CB ARG B 11 -6.549 3.894 1.288 1.00 0.00 C ATOM 683 CG ARG B 11 -7.467 3.728 2.508 1.00 0.00 C ATOM 684 CD ARG B 11 -7.410 4.883 3.504 1.00 0.00 C ATOM 685 NE ARG B 11 -8.330 4.503 4.638 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.954 5.361 5.506 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.714 6.704 5.529 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.861 4.829 6.382 1.00 0.00 N ATOM 0 H ARG B 11 -5.223 3.844 -0.703 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.224 2.212 0.195 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.578 3.461 1.529 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.390 4.959 1.121 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.494 3.614 2.161 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.201 2.806 3.025 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.393 5.038 3.863 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.730 5.815 3.038 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.505 3.507 4.772 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.043 7.113 4.879 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.206 7.299 6.196 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.051 3.827 6.373 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.346 5.435 7.044 1.00 0.00 H new ATOM 702 N LYS B 12 -8.430 5.165 -0.941 1.00 0.00 N ATOM 703 CA LYS B 12 -9.610 5.848 -1.494 1.00 0.00 C ATOM 704 C LYS B 12 -10.369 4.948 -2.478 1.00 0.00 C ATOM 705 O LYS B 12 -11.560 4.701 -2.279 1.00 0.00 O ATOM 706 CB LYS B 12 -9.320 7.247 -2.144 1.00 0.00 C ATOM 707 CG LYS B 12 -9.314 8.473 -1.191 1.00 0.00 C ATOM 708 CD LYS B 12 -8.111 8.582 -0.226 1.00 0.00 C ATOM 709 CE LYS B 12 -8.102 9.809 0.711 1.00 0.00 C ATOM 710 NZ LYS B 12 -7.889 11.082 -0.023 1.00 0.00 N ATOM 0 H LYS B 12 -7.621 5.784 -0.882 1.00 0.00 H new ATOM 0 HA LYS B 12 -10.238 6.052 -0.627 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.351 7.197 -2.640 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -10.066 7.423 -2.919 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.350 9.378 -1.797 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -10.228 8.450 -0.598 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -8.080 7.681 0.387 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.196 8.596 -0.818 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -9.048 9.858 1.250 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.316 9.687 1.457 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.891 11.875 0.650 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.974 11.049 -0.517 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.652 11.215 -0.717 1.00 0.00 H new ATOM 724 N LEU B 13 -9.665 4.403 -3.515 1.00 0.00 N ATOM 725 CA LEU B 13 -10.175 3.490 -4.528 1.00 0.00 C ATOM 726 C LEU B 13 -10.659 2.171 -3.959 1.00 0.00 C ATOM 727 O LEU B 13 -11.822 1.836 -4.169 1.00 0.00 O ATOM 728 CB LEU B 13 -9.252 3.304 -5.747 1.00 0.00 C ATOM 729 CG LEU B 13 -9.080 4.591 -6.621 1.00 0.00 C ATOM 730 CD1 LEU B 13 -10.358 5.468 -6.824 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.830 5.418 -6.220 1.00 0.00 C ATOM 0 H LEU B 13 -8.677 4.614 -3.654 1.00 0.00 H new ATOM 0 HA LEU B 13 -11.056 3.999 -4.919 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -8.271 2.980 -5.400 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.650 2.504 -6.372 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.903 4.195 -7.621 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -10.113 6.329 -7.445 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -11.132 4.876 -7.313 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -10.722 5.811 -5.855 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.757 6.300 -6.857 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.918 5.729 -5.179 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.935 4.807 -6.342 1.00 0.00 H new ATOM 743 N ALA B 14 -9.801 1.419 -3.203 1.00 0.00 N ATOM 744 CA ALA B 14 -10.097 0.154 -2.534 1.00 0.00 C ATOM 745 C ALA B 14 -11.355 0.229 -1.696 1.00 0.00 C ATOM 746 O ALA B 14 -12.202 -0.663 -1.812 1.00 0.00 O ATOM 747 CB ALA B 14 -8.959 -0.328 -1.622 1.00 0.00 C ATOM 0 H ALA B 14 -8.837 1.714 -3.049 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.230 -0.557 -3.349 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.242 -1.272 -1.155 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -8.055 -0.472 -2.214 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.772 0.417 -0.849 1.00 0.00 H new ATOM 753 N ILE B 15 -11.515 1.318 -0.867 1.00 0.00 N ATOM 754 CA ILE B 15 -12.689 1.557 -0.056 1.00 0.00 C ATOM 755 C ILE B 15 -13.899 1.654 -0.988 1.00 0.00 C ATOM 756 O ILE B 15 -14.846 0.883 -0.822 1.00 0.00 O ATOM 757 CB ILE B 15 -12.756 2.730 0.951 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.480 3.037 1.793 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.947 2.417 1.892 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.120 4.510 1.683 1.00 0.00 C ATOM 0 H ILE B 15 -10.804 2.042 -0.767 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.660 0.702 0.620 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.867 3.639 0.360 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.652 2.774 2.837 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.649 2.425 1.443 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.047 3.213 2.630 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.864 2.347 1.307 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.769 1.470 2.402 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.227 4.712 2.275 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.928 4.761 0.640 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.947 5.115 2.055 1.00 0.00 H new ATOM 772 N GLU B 16 -13.860 2.620 -1.965 1.00 0.00 N ATOM 773 CA GLU B 16 -14.888 2.928 -2.938 1.00 0.00 C ATOM 774 C GLU B 16 -15.449 1.677 -3.667 1.00 0.00 C ATOM 775 O GLU B 16 -16.653 1.634 -3.931 1.00 0.00 O ATOM 776 CB GLU B 16 -14.403 4.028 -3.954 1.00 0.00 C ATOM 777 CG GLU B 16 -15.509 4.691 -4.813 1.00 0.00 C ATOM 778 CD GLU B 16 -14.912 5.759 -5.736 1.00 0.00 C ATOM 779 OE1 GLU B 16 -14.485 6.829 -5.223 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.888 5.520 -6.973 1.00 0.00 O ATOM 0 H GLU B 16 -13.045 3.224 -2.074 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.726 3.336 -2.372 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.887 4.809 -3.395 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.670 3.578 -4.624 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -16.018 3.933 -5.408 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -16.259 5.143 -4.164 1.00 0.00 H new ATOM 787 N ARG B 17 -14.599 0.636 -3.970 1.00 0.00 N ATOM 788 CA ARG B 17 -14.939 -0.647 -4.594 1.00 0.00 C ATOM 789 C ARG B 17 -15.998 -1.384 -3.755 1.00 0.00 C ATOM 790 O ARG B 17 -17.094 -1.659 -4.248 1.00 0.00 O ATOM 791 CB ARG B 17 -13.731 -1.630 -4.821 1.00 0.00 C ATOM 792 CG ARG B 17 -12.532 -1.150 -5.672 1.00 0.00 C ATOM 793 CD ARG B 17 -11.396 -2.195 -5.759 1.00 0.00 C ATOM 794 NE ARG B 17 -10.085 -1.510 -6.088 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.871 -1.795 -5.508 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.696 -2.820 -4.620 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.793 -1.016 -5.822 1.00 0.00 N ATOM 0 H ARG B 17 -13.602 0.698 -3.763 1.00 0.00 H new ATOM 0 HA ARG B 17 -15.311 -0.374 -5.581 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.348 -1.914 -3.841 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -14.124 -2.535 -5.285 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.879 -0.914 -6.678 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -12.138 -0.227 -5.246 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -11.309 -2.729 -4.813 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -11.630 -2.936 -6.523 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.105 -0.778 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -9.486 -3.412 -4.362 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.776 -2.993 -4.216 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.898 -0.240 -6.476 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.884 -1.211 -5.403 1.00 0.00 H new ATOM 811 N ASP B 18 -15.659 -1.688 -2.464 1.00 0.00 N ATOM 812 CA ASP B 18 -16.439 -2.363 -1.430 1.00 0.00 C ATOM 813 C ASP B 18 -17.777 -1.662 -1.158 1.00 0.00 C ATOM 814 O ASP B 18 -18.836 -2.283 -1.277 1.00 0.00 O ATOM 815 CB ASP B 18 -15.589 -2.541 -0.122 1.00 0.00 C ATOM 816 CG ASP B 18 -16.293 -3.396 0.942 1.00 0.00 C ATOM 817 OD1 ASP B 18 -16.515 -4.610 0.687 1.00 0.00 O ATOM 818 OD2 ASP B 18 -16.606 -2.841 2.030 1.00 0.00 O ATOM 0 H ASP B 18 -14.738 -1.432 -2.108 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.690 -3.356 -1.803 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.634 -3.001 -0.376 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.368 -1.559 0.297 1.00 0.00 H new ATOM 823 N THR B 19 -17.714 -0.349 -0.811 1.00 0.00 N ATOM 824 CA THR B 19 -18.780 0.611 -0.519 1.00 0.00 C ATOM 825 C THR B 19 -19.813 0.642 -1.674 1.00 0.00 C ATOM 826 O THR B 19 -19.436 0.950 -2.837 1.00 0.00 O ATOM 827 CB THR B 19 -18.249 2.036 -0.262 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.254 2.368 -1.177 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.678 2.227 1.156 1.00 0.00 C ATOM 830 OXT THR B 19 -21.005 0.346 -1.387 1.00 0.00 O ATOM 0 H THR B 19 -16.803 0.101 -0.723 1.00 0.00 H new ATOM 0 HA THR B 19 -19.259 0.271 0.399 1.00 0.00 H new ATOM 0 HB THR B 19 -19.113 2.691 -0.374 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.413 1.936 -0.917 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.322 3.251 1.270 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.458 2.030 1.892 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.850 1.536 1.311 1.00 0.00 H new TER 838 THR B 19