USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=23 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 67:sc= 0.259 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -0.713 F(o=-2.7,f=-0.45) USER MOD Single : A 4 G O2' : rot -9:sc= 0.0815 USER MOD Single : A 4 G O5' : rot 24:sc= 0.0116 USER MOD Single : A 5 C O2' : rot -18:sc= 0.00889 USER MOD Single : A 6 G O2' : rot -14:sc= 0.0674 USER MOD Single : A 7 C O2' : rot -120:sc= 0.87 USER MOD Single : A 8 U O2' : rot -16:sc= 0.102 USER MOD Single : A 9 G O2' : rot -14:sc=0.000518 USER MOD Single : A 10 A O2' : rot 87:sc= 0.403 USER MOD Single : A 12 A O2' : rot -24:sc= 0.0174 USER MOD Single : A 13 A O2' : rot -19:sc= 0.0141 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -17:sc= 0.0286 USER MOD Single : A 16 C O2' : rot -23:sc= 0.00619 USER MOD Single : A 17 G O2' : rot -22:sc= 0.0398 USER MOD Single : A 18 C O2' : rot -13:sc= 0.0547 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0588 USER MOD Single : B 1 ASN : amide:sc= 0 X(o=0,f=-0.066) USER MOD Single : B 1 ASN N :NH3+ -135:sc= 0.0585 (180deg=-0.00209) USER MOD Single : B 3 LYS NZ :NH3+ 172:sc= 0.0622 (180deg=-0.0623) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0.0306 USER MOD Single : B 12 LYS NZ :NH3+ 161:sc= -0.278 (180deg=-0.641) USER MOD Single : B 19 THR OG1 : rot -36:sc= 0.143 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.888 6.689 7.584 1.00 0.00 O ATOM 2 C5' G A 4 10.953 5.911 7.052 1.00 0.00 C ATOM 3 C4' G A 4 11.511 6.573 5.783 1.00 0.00 C ATOM 4 O4' G A 4 12.610 5.784 5.247 1.00 0.00 O ATOM 5 C3' G A 4 10.519 6.645 4.618 1.00 0.00 C ATOM 6 O3' G A 4 9.645 7.776 4.690 1.00 0.00 O ATOM 7 C2' G A 4 11.422 6.674 3.391 1.00 0.00 C ATOM 8 O2' G A 4 11.712 7.969 2.862 1.00 0.00 O ATOM 9 C1' G A 4 12.694 5.974 3.825 1.00 0.00 C ATOM 10 N9 G A 4 12.936 4.703 3.104 1.00 0.00 N ATOM 11 C8 G A 4 12.885 3.453 3.598 1.00 0.00 C ATOM 12 N7 G A 4 13.155 2.504 2.736 1.00 0.00 N ATOM 13 C5 G A 4 13.403 3.174 1.566 1.00 0.00 C ATOM 14 C6 G A 4 13.740 2.650 0.311 1.00 0.00 C ATOM 15 O6 G A 4 13.884 1.448 0.062 1.00 0.00 O ATOM 16 N1 G A 4 13.911 3.682 -0.658 1.00 0.00 N ATOM 17 C2 G A 4 13.773 5.063 -0.430 1.00 0.00 C ATOM 18 N2 G A 4 13.993 5.804 -1.553 1.00 0.00 N ATOM 19 N3 G A 4 13.447 5.527 0.806 1.00 0.00 N ATOM 20 C4 G A 4 13.277 4.552 1.746 1.00 0.00 C ATOM 0 H5' G A 4 10.599 4.906 6.821 1.00 0.00 H new ATOM 0 H5'' G A 4 11.744 5.808 7.795 1.00 0.00 H new ATOM 0 H4' G A 4 11.788 7.575 6.111 1.00 0.00 H new ATOM 0 H3' G A 4 9.825 5.805 4.612 1.00 0.00 H new ATOM 0 H2' G A 4 10.906 6.186 2.564 1.00 0.00 H new ATOM 0 HO2' G A 4 11.152 8.638 3.309 1.00 0.00 H new ATOM 0 HO5' G A 4 9.492 7.233 6.871 1.00 0.00 H new ATOM 0 H1' G A 4 13.555 6.593 3.572 1.00 0.00 H new ATOM 0 H8 G A 4 12.640 3.247 4.629 1.00 0.00 H new ATOM 0 H1 G A 4 14.156 3.392 -1.605 1.00 0.00 H new ATOM 0 H21 G A 4 13.922 6.821 -1.515 1.00 0.00 H new ATOM 0 H22 G A 4 14.229 5.342 -2.431 1.00 0.00 H new ATOM 33 P C A 5 8.201 7.803 4.022 1.00 0.00 P ATOM 34 OP1 C A 5 7.587 9.110 4.357 1.00 0.00 O ATOM 35 OP2 C A 5 7.454 6.598 4.445 1.00 0.00 O ATOM 36 O5' C A 5 8.469 7.707 2.449 1.00 0.00 O ATOM 37 C5' C A 5 8.703 8.853 1.635 1.00 0.00 C ATOM 38 C4' C A 5 8.840 8.556 0.110 1.00 0.00 C ATOM 39 O4' C A 5 10.107 7.899 -0.250 1.00 0.00 O ATOM 40 C3' C A 5 7.750 7.690 -0.534 1.00 0.00 C ATOM 41 O3' C A 5 6.547 8.423 -0.790 1.00 0.00 O ATOM 42 C2' C A 5 8.454 7.149 -1.793 1.00 0.00 C ATOM 43 O2' C A 5 8.470 8.067 -2.887 1.00 0.00 O ATOM 44 C1' C A 5 9.882 6.897 -1.279 1.00 0.00 C ATOM 45 N1 C A 5 10.114 5.510 -0.753 1.00 0.00 N ATOM 46 C2 C A 5 10.443 4.442 -1.664 1.00 0.00 C ATOM 47 O2 C A 5 10.535 4.617 -2.895 1.00 0.00 O ATOM 48 N3 C A 5 10.659 3.189 -1.136 1.00 0.00 N ATOM 49 C4 C A 5 10.574 2.945 0.198 1.00 0.00 C ATOM 50 N4 C A 5 10.772 1.695 0.697 1.00 0.00 N ATOM 51 C5 C A 5 10.249 4.022 1.105 1.00 0.00 C ATOM 52 C6 C A 5 10.033 5.236 0.591 1.00 0.00 C ATOM 0 H5' C A 5 9.613 9.345 1.978 1.00 0.00 H new ATOM 0 H5'' C A 5 7.885 9.558 1.781 1.00 0.00 H new ATOM 0 H4' C A 5 8.763 9.572 -0.278 1.00 0.00 H new ATOM 0 H3' C A 5 7.387 6.885 0.105 1.00 0.00 H new ATOM 0 H2' C A 5 7.946 6.274 -2.199 1.00 0.00 H new ATOM 0 HO2' C A 5 7.790 8.758 -2.744 1.00 0.00 H new ATOM 0 H1' C A 5 10.588 6.978 -2.105 1.00 0.00 H new ATOM 0 H41 C A 5 10.704 1.530 1.701 1.00 0.00 H new ATOM 0 H42 C A 5 10.988 0.923 0.067 1.00 0.00 H new ATOM 0 H5 C A 5 10.183 3.850 2.169 1.00 0.00 H new ATOM 0 H6 C A 5 9.782 6.042 1.265 1.00 0.00 H new ATOM 64 P G A 6 5.152 7.704 -1.072 1.00 0.00 P ATOM 65 OP1 G A 6 4.089 8.733 -1.061 1.00 0.00 O ATOM 66 OP2 G A 6 4.976 6.557 -0.149 1.00 0.00 O ATOM 67 O5' G A 6 5.351 7.210 -2.569 1.00 0.00 O ATOM 68 C5' G A 6 4.896 5.948 -3.029 1.00 0.00 C ATOM 69 C4' G A 6 5.605 5.581 -4.351 1.00 0.00 C ATOM 70 O4' G A 6 6.995 5.190 -4.105 1.00 0.00 O ATOM 71 C3' G A 6 4.980 4.381 -5.066 1.00 0.00 C ATOM 72 O3' G A 6 4.031 4.817 -6.046 1.00 0.00 O ATOM 73 C2' G A 6 6.167 3.628 -5.686 1.00 0.00 C ATOM 74 O2' G A 6 6.546 4.115 -6.974 1.00 0.00 O ATOM 75 C1' G A 6 7.279 3.903 -4.669 1.00 0.00 C ATOM 76 N9 G A 6 7.557 2.890 -3.605 1.00 0.00 N ATOM 77 C8 G A 6 7.464 3.029 -2.254 1.00 0.00 C ATOM 78 N7 G A 6 7.820 1.982 -1.558 1.00 0.00 N ATOM 79 C5 G A 6 8.179 1.060 -2.500 1.00 0.00 C ATOM 80 C6 G A 6 8.644 -0.242 -2.301 1.00 0.00 C ATOM 81 O6 G A 6 8.818 -0.776 -1.202 1.00 0.00 O ATOM 82 N1 G A 6 8.907 -0.893 -3.536 1.00 0.00 N ATOM 83 C2 G A 6 8.740 -0.340 -4.820 1.00 0.00 C ATOM 84 N2 G A 6 9.056 -1.208 -5.820 1.00 0.00 N ATOM 85 N3 G A 6 8.289 0.936 -4.967 1.00 0.00 N ATOM 86 C4 G A 6 8.030 1.576 -3.792 1.00 0.00 C ATOM 0 H5' G A 6 3.817 5.974 -3.181 1.00 0.00 H new ATOM 0 H5'' G A 6 5.094 5.185 -2.277 1.00 0.00 H new ATOM 0 H4' G A 6 5.515 6.477 -4.965 1.00 0.00 H new ATOM 0 H3' G A 6 4.418 3.733 -4.394 1.00 0.00 H new ATOM 0 H2' G A 6 5.939 2.576 -5.858 1.00 0.00 H new ATOM 0 HO2' G A 6 5.835 4.689 -7.329 1.00 0.00 H new ATOM 0 H1' G A 6 8.214 3.851 -5.228 1.00 0.00 H new ATOM 0 H8 G A 6 7.120 3.941 -1.790 1.00 0.00 H new ATOM 0 H1 G A 6 9.249 -1.853 -3.488 1.00 0.00 H new ATOM 0 H21 G A 6 8.973 -0.916 -6.794 1.00 0.00 H new ATOM 0 H22 G A 6 9.376 -2.150 -5.595 1.00 0.00 H new ATOM 98 P C A 7 2.682 4.032 -6.316 1.00 0.00 P ATOM 99 OP1 C A 7 2.007 4.635 -7.489 1.00 0.00 O ATOM 100 OP2 C A 7 1.901 3.963 -5.060 1.00 0.00 O ATOM 101 O5' C A 7 3.200 2.586 -6.666 1.00 0.00 O ATOM 102 C5' C A 7 3.659 2.139 -7.934 1.00 0.00 C ATOM 103 C4' C A 7 3.970 0.616 -7.931 1.00 0.00 C ATOM 104 O4' C A 7 5.217 0.308 -7.212 1.00 0.00 O ATOM 105 C3' C A 7 2.911 -0.206 -7.195 1.00 0.00 C ATOM 106 O3' C A 7 1.770 -0.481 -8.009 1.00 0.00 O ATOM 107 C2' C A 7 3.660 -1.428 -6.701 1.00 0.00 C ATOM 108 O2' C A 7 3.596 -2.543 -7.581 1.00 0.00 O ATOM 109 C1' C A 7 5.109 -0.973 -6.542 1.00 0.00 C ATOM 110 N1 C A 7 5.379 -0.914 -5.081 1.00 0.00 N ATOM 111 C2 C A 7 5.801 -2.108 -4.379 1.00 0.00 C ATOM 112 O2 C A 7 6.038 -3.179 -4.967 1.00 0.00 O ATOM 113 N3 C A 7 5.937 -2.040 -3.009 1.00 0.00 N ATOM 114 C4 C A 7 5.686 -0.893 -2.325 1.00 0.00 C ATOM 115 N4 C A 7 5.799 -0.851 -0.963 1.00 0.00 N ATOM 116 C5 C A 7 5.276 0.283 -3.065 1.00 0.00 C ATOM 117 C6 C A 7 5.145 0.227 -4.372 1.00 0.00 C ATOM 0 H5' C A 7 4.556 2.693 -8.212 1.00 0.00 H new ATOM 0 H5'' C A 7 2.904 2.354 -8.690 1.00 0.00 H new ATOM 0 H4' C A 7 4.020 0.361 -8.990 1.00 0.00 H new ATOM 0 H3' C A 7 2.463 0.327 -6.357 1.00 0.00 H new ATOM 0 H2' C A 7 3.208 -1.781 -5.774 1.00 0.00 H new ATOM 0 HO2' C A 7 3.178 -3.300 -7.120 1.00 0.00 H new ATOM 0 H1' C A 7 5.848 -1.640 -6.986 1.00 0.00 H new ATOM 0 H41 C A 7 5.608 0.017 -0.462 1.00 0.00 H new ATOM 0 H42 C A 7 6.075 -1.687 -0.448 1.00 0.00 H new ATOM 0 H5 C A 7 5.078 1.207 -2.542 1.00 0.00 H new ATOM 0 H6 C A 7 4.841 1.117 -4.903 1.00 0.00 H new ATOM 129 P U A 8 0.327 -0.855 -7.459 1.00 0.00 P ATOM 130 OP1 U A 8 -0.613 -0.860 -8.605 1.00 0.00 O ATOM 131 OP2 U A 8 -0.021 0.058 -6.348 1.00 0.00 O ATOM 132 O5' U A 8 0.510 -2.347 -6.885 1.00 0.00 O ATOM 133 C5' U A 8 0.576 -3.429 -7.820 1.00 0.00 C ATOM 134 C4' U A 8 0.961 -4.807 -7.220 1.00 0.00 C ATOM 135 O4' U A 8 2.261 -4.856 -6.579 1.00 0.00 O ATOM 136 C3' U A 8 -0.011 -5.443 -6.238 1.00 0.00 C ATOM 137 O3' U A 8 -1.060 -6.062 -6.979 1.00 0.00 O ATOM 138 C2' U A 8 0.873 -6.484 -5.526 1.00 0.00 C ATOM 139 O2' U A 8 0.971 -7.744 -6.197 1.00 0.00 O ATOM 140 C1' U A 8 2.255 -5.811 -5.500 1.00 0.00 C ATOM 141 N1 U A 8 2.652 -5.180 -4.197 1.00 0.00 N ATOM 142 C2 U A 8 2.952 -6.034 -3.076 1.00 0.00 C ATOM 143 O2 U A 8 2.907 -7.271 -3.089 1.00 0.00 O ATOM 144 N3 U A 8 3.322 -5.341 -1.896 1.00 0.00 N ATOM 145 C4 U A 8 3.416 -3.931 -1.737 1.00 0.00 C ATOM 146 O4 U A 8 3.743 -3.421 -0.662 1.00 0.00 O ATOM 147 C5 U A 8 3.094 -3.173 -2.929 1.00 0.00 C ATOM 148 C6 U A 8 2.739 -3.802 -4.068 1.00 0.00 C ATOM 0 H5' U A 8 1.300 -3.174 -8.594 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.393 -3.523 -8.309 1.00 0.00 H new ATOM 0 H4' U A 8 0.949 -5.383 -8.145 1.00 0.00 H new ATOM 0 H3' U A 8 -0.486 -4.755 -5.539 1.00 0.00 H new ATOM 0 H2' U A 8 0.453 -6.733 -4.551 1.00 0.00 H new ATOM 0 HO2' U A 8 0.259 -7.815 -6.866 1.00 0.00 H new ATOM 0 H1' U A 8 3.012 -6.586 -5.623 1.00 0.00 H new ATOM 0 H3 U A 8 3.543 -5.911 -1.079 1.00 0.00 H new ATOM 0 H5 U A 8 3.139 -2.094 -2.905 1.00 0.00 H new ATOM 0 H6 U A 8 2.509 -3.196 -4.932 1.00 0.00 H new ATOM 159 P G A 9 -2.584 -6.105 -6.607 1.00 0.00 P ATOM 160 OP1 G A 9 -3.282 -6.971 -7.587 1.00 0.00 O ATOM 161 OP2 G A 9 -3.078 -4.718 -6.492 1.00 0.00 O ATOM 162 O5' G A 9 -2.580 -6.798 -5.176 1.00 0.00 O ATOM 163 C5' G A 9 -2.365 -8.205 -5.031 1.00 0.00 C ATOM 164 C4' G A 9 -2.144 -8.645 -3.558 1.00 0.00 C ATOM 165 O4' G A 9 -0.862 -8.169 -3.023 1.00 0.00 O ATOM 166 C3' G A 9 -3.202 -8.109 -2.593 1.00 0.00 C ATOM 167 O3' G A 9 -4.340 -8.972 -2.570 1.00 0.00 O ATOM 168 C2' G A 9 -2.463 -8.002 -1.258 1.00 0.00 C ATOM 169 O2' G A 9 -2.537 -9.195 -0.472 1.00 0.00 O ATOM 170 C1' G A 9 -1.006 -7.718 -1.663 1.00 0.00 C ATOM 171 N9 G A 9 -0.585 -6.281 -1.550 1.00 0.00 N ATOM 172 C8 G A 9 -0.569 -5.308 -2.511 1.00 0.00 C ATOM 173 N7 G A 9 -0.178 -4.129 -2.101 1.00 0.00 N ATOM 174 C5 G A 9 0.094 -4.304 -0.777 1.00 0.00 C ATOM 175 C6 G A 9 0.549 -3.354 0.141 1.00 0.00 C ATOM 176 O6 G A 9 0.774 -2.174 -0.122 1.00 0.00 O ATOM 177 N1 G A 9 0.720 -3.914 1.430 1.00 0.00 N ATOM 178 C2 G A 9 0.476 -5.250 1.782 1.00 0.00 C ATOM 179 N2 G A 9 0.755 -5.496 3.083 1.00 0.00 N ATOM 180 N3 G A 9 0.031 -6.150 0.861 1.00 0.00 N ATOM 181 C4 G A 9 -0.140 -5.627 -0.384 1.00 0.00 C ATOM 0 H5' G A 9 -1.498 -8.496 -5.624 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.223 -8.740 -5.438 1.00 0.00 H new ATOM 0 H4' G A 9 -2.188 -9.733 -3.611 1.00 0.00 H new ATOM 0 H3' G A 9 -3.616 -7.141 -2.875 1.00 0.00 H new ATOM 0 H2' G A 9 -2.905 -7.230 -0.628 1.00 0.00 H new ATOM 0 HO2' G A 9 -3.229 -9.785 -0.837 1.00 0.00 H new ATOM 0 H1' G A 9 -0.355 -8.246 -0.966 1.00 0.00 H new ATOM 0 H8 G A 9 -0.858 -5.499 -3.534 1.00 0.00 H new ATOM 0 H1 G A 9 1.050 -3.291 2.168 1.00 0.00 H new ATOM 0 H21 G A 9 0.620 -6.432 3.465 1.00 0.00 H new ATOM 0 H22 G A 9 1.101 -4.746 3.681 1.00 0.00 H new ATOM 193 P A A 10 -5.836 -8.550 -2.873 1.00 0.00 P ATOM 194 OP1 A A 10 -6.444 -9.582 -3.742 1.00 0.00 O ATOM 195 OP2 A A 10 -5.888 -7.148 -3.364 1.00 0.00 O ATOM 196 O5' A A 10 -6.475 -8.675 -1.421 1.00 0.00 O ATOM 197 C5' A A 10 -7.441 -7.756 -0.906 1.00 0.00 C ATOM 198 C4' A A 10 -6.932 -7.009 0.352 1.00 0.00 C ATOM 199 O4' A A 10 -6.762 -7.934 1.471 1.00 0.00 O ATOM 200 C3' A A 10 -5.577 -6.302 0.165 1.00 0.00 C ATOM 201 O3' A A 10 -5.686 -4.872 0.271 1.00 0.00 O ATOM 202 C2' A A 10 -4.678 -6.948 1.218 1.00 0.00 C ATOM 203 O2' A A 10 -3.656 -6.126 1.753 1.00 0.00 O ATOM 204 C1' A A 10 -5.624 -7.563 2.242 1.00 0.00 C ATOM 205 N9 A A 10 -5.098 -8.820 2.818 1.00 0.00 N ATOM 206 C8 A A 10 -4.580 -9.903 2.176 1.00 0.00 C ATOM 207 N7 A A 10 -4.206 -10.879 2.973 1.00 0.00 N ATOM 208 C5 A A 10 -4.497 -10.410 4.232 1.00 0.00 C ATOM 209 C6 A A 10 -4.321 -11.012 5.496 1.00 0.00 C ATOM 210 N6 A A 10 -3.787 -12.269 5.580 1.00 0.00 N ATOM 211 N1 A A 10 -4.730 -10.240 6.564 1.00 0.00 N ATOM 212 C2 A A 10 -5.246 -9.022 6.344 1.00 0.00 C ATOM 213 N3 A A 10 -5.449 -8.384 5.211 1.00 0.00 N ATOM 214 C4 A A 10 -5.049 -9.139 4.169 1.00 0.00 C ATOM 0 H5' A A 10 -8.356 -8.295 -0.660 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.696 -7.030 -1.678 1.00 0.00 H new ATOM 0 H4' A A 10 -7.697 -6.257 0.545 1.00 0.00 H new ATOM 0 H3' A A 10 -5.162 -6.429 -0.835 1.00 0.00 H new ATOM 0 H2' A A 10 -4.055 -7.714 0.757 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.009 -5.617 2.513 1.00 0.00 H new ATOM 0 H1' A A 10 -5.800 -6.863 3.059 1.00 0.00 H new ATOM 0 H8 A A 10 -4.484 -9.956 1.102 1.00 0.00 H new ATOM 0 H61 A A 10 -3.658 -12.708 6.491 1.00 0.00 H new ATOM 0 H62 A A 10 -3.518 -12.767 4.731 1.00 0.00 H new ATOM 0 H2 A A 10 -5.540 -8.482 7.232 1.00 0.00 H new ATOM 226 P C A 11 -4.975 -3.998 -0.868 1.00 0.00 P ATOM 227 OP1 C A 11 -5.832 -3.980 -2.077 1.00 0.00 O ATOM 228 OP2 C A 11 -3.580 -4.470 -1.038 1.00 0.00 O ATOM 229 O5' C A 11 -4.895 -2.552 -0.238 1.00 0.00 O ATOM 230 C5' C A 11 -6.019 -1.700 -0.084 1.00 0.00 C ATOM 231 C4' C A 11 -5.926 -0.932 1.249 1.00 0.00 C ATOM 232 O4' C A 11 -7.052 -0.009 1.384 1.00 0.00 O ATOM 233 C3' C A 11 -6.043 -1.841 2.481 1.00 0.00 C ATOM 234 O3' C A 11 -4.797 -1.880 3.181 1.00 0.00 O ATOM 235 C2' C A 11 -7.190 -1.292 3.334 1.00 0.00 C ATOM 236 O2' C A 11 -6.976 -1.299 4.746 1.00 0.00 O ATOM 237 C1' C A 11 -7.444 0.102 2.765 1.00 0.00 C ATOM 238 N1 C A 11 -8.901 0.442 2.934 1.00 0.00 N ATOM 239 C2 C A 11 -9.380 1.014 4.181 1.00 0.00 C ATOM 240 O2 C A 11 -8.616 1.274 5.133 1.00 0.00 O ATOM 241 N3 C A 11 -10.734 1.272 4.298 1.00 0.00 N ATOM 242 C4 C A 11 -11.602 1.003 3.285 1.00 0.00 C ATOM 243 N4 C A 11 -12.942 1.240 3.402 1.00 0.00 N ATOM 244 C5 C A 11 -11.106 0.439 2.050 1.00 0.00 C ATOM 245 C6 C A 11 -9.809 0.187 1.931 1.00 0.00 C ATOM 0 H5' C A 11 -6.936 -2.288 -0.110 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.068 -0.996 -0.915 1.00 0.00 H new ATOM 0 H4' C A 11 -4.954 -0.440 1.217 1.00 0.00 H new ATOM 0 H3' C A 11 -6.265 -2.873 2.208 1.00 0.00 H new ATOM 0 H2' C A 11 -8.060 -1.945 3.264 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.256 -0.673 4.971 1.00 0.00 H new ATOM 0 H1' C A 11 -6.891 0.900 3.260 1.00 0.00 H new ATOM 0 H41 C A 11 -13.567 1.028 2.625 1.00 0.00 H new ATOM 0 H42 C A 11 -13.317 1.629 4.267 1.00 0.00 H new ATOM 0 H5 C A 11 -11.782 0.226 1.235 1.00 0.00 H new ATOM 0 H6 C A 11 -9.449 -0.237 1.005 1.00 0.00 H new ATOM 257 P A A 12 -3.917 -3.181 3.269 1.00 0.00 P ATOM 258 OP1 A A 12 -3.112 -3.285 2.029 1.00 0.00 O ATOM 259 OP2 A A 12 -4.783 -4.325 3.643 1.00 0.00 O ATOM 260 O5' A A 12 -2.966 -2.851 4.493 1.00 0.00 O ATOM 261 C5' A A 12 -1.773 -3.601 4.711 1.00 0.00 C ATOM 262 C4' A A 12 -1.942 -4.666 5.816 1.00 0.00 C ATOM 263 O4' A A 12 -2.629 -5.848 5.286 1.00 0.00 O ATOM 264 C3' A A 12 -0.615 -5.242 6.302 1.00 0.00 C ATOM 265 O3' A A 12 0.064 -4.388 7.230 1.00 0.00 O ATOM 266 C2' A A 12 -1.005 -6.599 6.879 1.00 0.00 C ATOM 267 O2' A A 12 -1.497 -6.541 8.218 1.00 0.00 O ATOM 268 C1' A A 12 -2.106 -7.044 5.897 1.00 0.00 C ATOM 269 N9 A A 12 -1.690 -8.056 4.864 1.00 0.00 N ATOM 270 C8 A A 12 -1.643 -7.958 3.497 1.00 0.00 C ATOM 271 N7 A A 12 -1.279 -9.047 2.872 1.00 0.00 N ATOM 272 C5 A A 12 -1.054 -9.951 3.872 1.00 0.00 C ATOM 273 C6 A A 12 -0.640 -11.295 3.788 1.00 0.00 C ATOM 274 N6 A A 12 -0.432 -11.861 2.559 1.00 0.00 N ATOM 275 N1 A A 12 -0.501 -11.934 4.996 1.00 0.00 N ATOM 276 C2 A A 12 -0.755 -11.277 6.133 1.00 0.00 C ATOM 277 N3 A A 12 -1.153 -10.019 6.315 1.00 0.00 N ATOM 278 C4 A A 12 -1.290 -9.386 5.121 1.00 0.00 C ATOM 0 H5' A A 12 -0.965 -2.922 4.985 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.479 -4.089 3.782 1.00 0.00 H new ATOM 0 H4' A A 12 -2.477 -4.148 6.612 1.00 0.00 H new ATOM 0 H3' A A 12 0.120 -5.337 5.503 1.00 0.00 H new ATOM 0 H2' A A 12 -0.156 -7.277 6.961 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.151 -5.737 8.659 1.00 0.00 H new ATOM 0 H1' A A 12 -2.863 -7.582 6.467 1.00 0.00 H new ATOM 0 H8 A A 12 -1.889 -7.046 2.974 1.00 0.00 H new ATOM 0 H61 A A 12 -0.132 -12.833 2.490 1.00 0.00 H new ATOM 0 H62 A A 12 -0.577 -11.310 1.713 1.00 0.00 H new ATOM 0 H2 A A 12 -0.617 -11.851 7.037 1.00 0.00 H new ATOM 290 P A A 13 1.587 -3.980 6.983 1.00 0.00 P ATOM 291 OP1 A A 13 1.957 -2.919 7.947 1.00 0.00 O ATOM 292 OP2 A A 13 1.775 -3.673 5.546 1.00 0.00 O ATOM 293 O5' A A 13 2.386 -5.317 7.312 1.00 0.00 O ATOM 294 C5' A A 13 2.487 -5.809 8.647 1.00 0.00 C ATOM 295 C4' A A 13 2.859 -7.311 8.706 1.00 0.00 C ATOM 296 O4' A A 13 1.850 -8.143 8.034 1.00 0.00 O ATOM 297 C3' A A 13 4.163 -7.692 8.000 1.00 0.00 C ATOM 298 O3' A A 13 5.342 -7.418 8.759 1.00 0.00 O ATOM 299 C2' A A 13 3.960 -9.187 7.734 1.00 0.00 C ATOM 300 O2' A A 13 4.199 -10.023 8.869 1.00 0.00 O ATOM 301 C1' A A 13 2.483 -9.223 7.314 1.00 0.00 C ATOM 302 N9 A A 13 2.264 -9.108 5.832 1.00 0.00 N ATOM 303 C8 A A 13 1.789 -8.054 5.112 1.00 0.00 C ATOM 304 N7 A A 13 1.713 -8.252 3.824 1.00 0.00 N ATOM 305 C5 A A 13 2.165 -9.523 3.643 1.00 0.00 C ATOM 306 C6 A A 13 2.303 -10.261 2.453 1.00 0.00 C ATOM 307 N6 A A 13 1.943 -9.693 1.257 1.00 0.00 N ATOM 308 N1 A A 13 2.797 -11.531 2.619 1.00 0.00 N ATOM 309 C2 A A 13 3.104 -11.976 3.843 1.00 0.00 C ATOM 310 N3 A A 13 3.008 -11.355 5.022 1.00 0.00 N ATOM 311 C4 A A 13 2.521 -10.100 4.857 1.00 0.00 C ATOM 0 H5' A A 13 1.537 -5.654 9.159 1.00 0.00 H new ATOM 0 H5'' A A 13 3.238 -5.232 9.186 1.00 0.00 H new ATOM 0 H4' A A 13 2.943 -7.485 9.779 1.00 0.00 H new ATOM 0 H3' A A 13 4.338 -7.103 7.099 1.00 0.00 H new ATOM 0 H2' A A 13 4.662 -9.577 6.998 1.00 0.00 H new ATOM 0 HO2' A A 13 4.732 -9.533 9.530 1.00 0.00 H new ATOM 0 H1' A A 13 2.051 -10.193 7.559 1.00 0.00 H new ATOM 0 H8 A A 13 1.497 -7.122 5.573 1.00 0.00 H new ATOM 0 H61 A A 13 2.041 -10.223 0.391 1.00 0.00 H new ATOM 0 H62 A A 13 1.578 -8.741 1.234 1.00 0.00 H new ATOM 0 H2 A A 13 3.485 -12.986 3.884 1.00 0.00 H new ATOM 323 P A A 14 6.617 -6.731 8.084 1.00 0.00 P ATOM 324 OP1 A A 14 7.685 -6.626 9.105 1.00 0.00 O ATOM 325 OP2 A A 14 6.198 -5.468 7.433 1.00 0.00 O ATOM 326 O5' A A 14 7.066 -7.752 6.944 1.00 0.00 O ATOM 327 C5' A A 14 7.621 -9.025 7.250 1.00 0.00 C ATOM 328 C4' A A 14 7.657 -10.007 6.050 1.00 0.00 C ATOM 329 O4' A A 14 6.310 -10.309 5.540 1.00 0.00 O ATOM 330 C3' A A 14 8.421 -9.519 4.816 1.00 0.00 C ATOM 331 O3' A A 14 9.830 -9.718 4.924 1.00 0.00 O ATOM 332 C2' A A 14 7.759 -10.327 3.688 1.00 0.00 C ATOM 333 O2' A A 14 8.207 -11.681 3.589 1.00 0.00 O ATOM 334 C1' A A 14 6.284 -10.271 4.099 1.00 0.00 C ATOM 335 N9 A A 14 5.578 -9.032 3.603 1.00 0.00 N ATOM 336 C8 A A 14 5.153 -7.960 4.327 1.00 0.00 C ATOM 337 N7 A A 14 4.591 -7.000 3.641 1.00 0.00 N ATOM 338 C5 A A 14 4.631 -7.450 2.351 1.00 0.00 C ATOM 339 C6 A A 14 4.167 -6.833 1.178 1.00 0.00 C ATOM 340 N6 A A 14 3.578 -5.607 1.265 1.00 0.00 N ATOM 341 N1 A A 14 4.355 -7.548 0.025 1.00 0.00 N ATOM 342 C2 A A 14 4.946 -8.747 0.077 1.00 0.00 C ATOM 343 N3 A A 14 5.420 -9.419 1.133 1.00 0.00 N ATOM 344 C4 A A 14 5.230 -8.704 2.272 1.00 0.00 C ATOM 0 H5' A A 14 7.044 -9.476 8.057 1.00 0.00 H new ATOM 0 H5'' A A 14 8.636 -8.887 7.623 1.00 0.00 H new ATOM 0 H4' A A 14 8.164 -10.868 6.487 1.00 0.00 H new ATOM 0 H3' A A 14 8.358 -8.443 4.654 1.00 0.00 H new ATOM 0 H2' A A 14 7.990 -9.921 2.703 1.00 0.00 H new ATOM 0 HO2' A A 14 7.740 -12.127 2.852 1.00 0.00 H new ATOM 0 H1' A A 14 5.725 -11.097 3.660 1.00 0.00 H new ATOM 0 H8 A A 14 5.273 -7.906 5.399 1.00 0.00 H new ATOM 0 H61 A A 14 3.235 -5.145 0.423 1.00 0.00 H new ATOM 0 H62 A A 14 3.480 -5.152 2.172 1.00 0.00 H new ATOM 0 H2 A A 14 5.057 -9.247 -0.874 1.00 0.00 H new ATOM 356 P G A 15 10.878 -8.715 4.254 1.00 0.00 P ATOM 357 OP1 G A 15 12.242 -9.122 4.666 1.00 0.00 O ATOM 358 OP2 G A 15 10.488 -7.318 4.557 1.00 0.00 O ATOM 359 O5' G A 15 10.702 -8.955 2.687 1.00 0.00 O ATOM 360 C5' G A 15 11.004 -10.229 2.122 1.00 0.00 C ATOM 361 C4' G A 15 10.400 -10.435 0.714 1.00 0.00 C ATOM 362 O4' G A 15 8.962 -10.177 0.644 1.00 0.00 O ATOM 363 C3' G A 15 11.014 -9.591 -0.398 1.00 0.00 C ATOM 364 O3' G A 15 12.222 -10.181 -0.879 1.00 0.00 O ATOM 365 C2' G A 15 9.890 -9.550 -1.438 1.00 0.00 C ATOM 366 O2' G A 15 9.830 -10.704 -2.281 1.00 0.00 O ATOM 367 C1' G A 15 8.642 -9.450 -0.551 1.00 0.00 C ATOM 368 N9 G A 15 8.178 -8.064 -0.203 1.00 0.00 N ATOM 369 C8 G A 15 8.163 -7.461 1.017 1.00 0.00 C ATOM 370 N7 G A 15 7.705 -6.230 1.024 1.00 0.00 N ATOM 371 C5 G A 15 7.386 -5.976 -0.283 1.00 0.00 C ATOM 372 C6 G A 15 6.852 -4.801 -0.846 1.00 0.00 C ATOM 373 O6 G A 15 6.584 -3.759 -0.230 1.00 0.00 O ATOM 374 N1 G A 15 6.662 -4.946 -2.252 1.00 0.00 N ATOM 375 C2 G A 15 6.956 -6.093 -3.016 1.00 0.00 C ATOM 376 N2 G A 15 6.676 -5.944 -4.339 1.00 0.00 N ATOM 377 N3 G A 15 7.472 -7.203 -2.427 1.00 0.00 N ATOM 378 C4 G A 15 7.663 -7.091 -1.086 1.00 0.00 C ATOM 0 H5' G A 15 10.633 -11.010 2.786 1.00 0.00 H new ATOM 0 H5'' G A 15 12.086 -10.346 2.066 1.00 0.00 H new ATOM 0 H4' G A 15 10.632 -11.488 0.551 1.00 0.00 H new ATOM 0 H3' G A 15 11.323 -8.591 -0.093 1.00 0.00 H new ATOM 0 H2' G A 15 10.019 -8.733 -2.148 1.00 0.00 H new ATOM 0 HO2' G A 15 10.676 -11.195 -2.224 1.00 0.00 H new ATOM 0 H1' G A 15 7.801 -9.855 -1.113 1.00 0.00 H new ATOM 0 H8 G A 15 8.503 -7.958 1.914 1.00 0.00 H new ATOM 0 H1 G A 15 6.277 -4.144 -2.751 1.00 0.00 H new ATOM 0 H21 G A 15 6.850 -6.712 -4.987 1.00 0.00 H new ATOM 0 H22 G A 15 6.292 -5.064 -4.683 1.00 0.00 H new ATOM 390 P C A 16 13.537 -9.342 -1.177 1.00 0.00 P ATOM 391 OP1 C A 16 14.647 -10.286 -1.443 1.00 0.00 O ATOM 392 OP2 C A 16 13.755 -8.355 -0.092 1.00 0.00 O ATOM 393 O5' C A 16 13.172 -8.555 -2.504 1.00 0.00 O ATOM 394 C5' C A 16 13.010 -9.224 -3.752 1.00 0.00 C ATOM 395 C4' C A 16 12.347 -8.328 -4.826 1.00 0.00 C ATOM 396 O4' C A 16 10.959 -7.975 -4.472 1.00 0.00 O ATOM 397 C3' C A 16 13.031 -6.971 -5.048 1.00 0.00 C ATOM 398 O3' C A 16 14.191 -7.067 -5.875 1.00 0.00 O ATOM 399 C2' C A 16 11.896 -6.144 -5.647 1.00 0.00 C ATOM 400 O2' C A 16 11.657 -6.378 -7.035 1.00 0.00 O ATOM 401 C1' C A 16 10.711 -6.580 -4.765 1.00 0.00 C ATOM 402 N1 C A 16 10.489 -5.751 -3.506 1.00 0.00 N ATOM 403 C2 C A 16 9.974 -4.405 -3.649 1.00 0.00 C ATOM 404 O2 C A 16 9.701 -3.905 -4.756 1.00 0.00 O ATOM 405 N3 C A 16 9.782 -3.656 -2.506 1.00 0.00 N ATOM 406 C4 C A 16 10.059 -4.142 -1.269 1.00 0.00 C ATOM 407 N4 C A 16 9.868 -3.395 -0.142 1.00 0.00 N ATOM 408 C5 C A 16 10.568 -5.478 -1.119 1.00 0.00 C ATOM 409 C6 C A 16 10.760 -6.219 -2.220 1.00 0.00 C ATOM 0 H5' C A 16 12.404 -10.118 -3.605 1.00 0.00 H new ATOM 0 H5'' C A 16 13.984 -9.555 -4.112 1.00 0.00 H new ATOM 0 H4' C A 16 12.423 -8.945 -5.721 1.00 0.00 H new ATOM 0 H3' C A 16 13.443 -6.523 -4.143 1.00 0.00 H new ATOM 0 H2' C A 16 12.105 -5.074 -5.639 1.00 0.00 H new ATOM 0 HO2' C A 16 12.466 -6.745 -7.449 1.00 0.00 H new ATOM 0 H1' C A 16 9.776 -6.419 -5.301 1.00 0.00 H new ATOM 0 H41 C A 16 10.086 -3.788 0.774 1.00 0.00 H new ATOM 0 H42 C A 16 9.508 -2.444 -0.216 1.00 0.00 H new ATOM 0 H5 C A 16 10.791 -5.876 -0.140 1.00 0.00 H new ATOM 0 H6 C A 16 11.141 -7.223 -2.106 1.00 0.00 H new ATOM 421 P G A 17 15.426 -6.065 -5.738 1.00 0.00 P ATOM 422 OP1 G A 17 16.574 -6.640 -6.479 1.00 0.00 O ATOM 423 OP2 G A 17 15.661 -5.746 -4.310 1.00 0.00 O ATOM 424 O5' G A 17 14.922 -4.741 -6.469 1.00 0.00 O ATOM 425 C5' G A 17 14.723 -4.734 -7.882 1.00 0.00 C ATOM 426 C4' G A 17 13.967 -3.481 -8.380 1.00 0.00 C ATOM 427 O4' G A 17 12.707 -3.289 -7.650 1.00 0.00 O ATOM 428 C3' G A 17 14.714 -2.151 -8.216 1.00 0.00 C ATOM 429 O3' G A 17 15.628 -1.923 -9.291 1.00 0.00 O ATOM 430 C2' G A 17 13.573 -1.132 -8.174 1.00 0.00 C ATOM 431 O2' G A 17 13.067 -0.790 -9.468 1.00 0.00 O ATOM 432 C1' G A 17 12.517 -1.891 -7.355 1.00 0.00 C ATOM 433 N9 G A 17 12.424 -1.638 -5.876 1.00 0.00 N ATOM 434 C8 G A 17 12.606 -2.500 -4.830 1.00 0.00 C ATOM 435 N7 G A 17 12.419 -1.983 -3.645 1.00 0.00 N ATOM 436 C5 G A 17 12.088 -0.686 -3.887 1.00 0.00 C ATOM 437 C6 G A 17 11.784 0.311 -2.958 1.00 0.00 C ATOM 438 O6 G A 17 11.763 0.159 -1.732 1.00 0.00 O ATOM 439 N1 G A 17 11.488 1.544 -3.598 1.00 0.00 N ATOM 440 C2 G A 17 11.489 1.780 -4.988 1.00 0.00 C ATOM 441 N2 G A 17 11.166 3.062 -5.312 1.00 0.00 N ATOM 442 N3 G A 17 11.791 0.777 -5.857 1.00 0.00 N ATOM 443 C4 G A 17 12.078 -0.414 -5.259 1.00 0.00 C ATOM 0 H5' G A 17 14.166 -5.626 -8.169 1.00 0.00 H new ATOM 0 H5'' G A 17 15.691 -4.789 -8.380 1.00 0.00 H new ATOM 0 H4' G A 17 13.832 -3.695 -9.440 1.00 0.00 H new ATOM 0 H3' G A 17 15.346 -2.107 -7.329 1.00 0.00 H new ATOM 0 H2' G A 17 13.881 -0.172 -7.758 1.00 0.00 H new ATOM 0 HO2' G A 17 13.746 -0.985 -10.147 1.00 0.00 H new ATOM 0 H1' G A 17 11.550 -1.498 -7.669 1.00 0.00 H new ATOM 0 H8 G A 17 12.884 -3.534 -4.973 1.00 0.00 H new ATOM 0 H1 G A 17 11.253 2.333 -2.995 1.00 0.00 H new ATOM 0 H21 G A 17 11.135 3.348 -6.290 1.00 0.00 H new ATOM 0 H22 G A 17 10.955 3.736 -4.576 1.00 0.00 H new ATOM 455 P C A 18 17.045 -1.235 -9.081 1.00 0.00 P ATOM 456 OP1 C A 18 17.756 -1.221 -10.380 1.00 0.00 O ATOM 457 OP2 C A 18 17.744 -1.890 -7.951 1.00 0.00 O ATOM 458 O5' C A 18 16.683 0.249 -8.650 1.00 0.00 O ATOM 459 C5' C A 18 16.163 1.215 -9.560 1.00 0.00 C ATOM 460 C4' C A 18 15.766 2.539 -8.855 1.00 0.00 C ATOM 461 O4' C A 18 14.664 2.335 -7.914 1.00 0.00 O ATOM 462 C3' C A 18 16.879 3.175 -8.028 1.00 0.00 C ATOM 463 O3' C A 18 17.717 4.027 -8.807 1.00 0.00 O ATOM 464 C2' C A 18 16.171 3.879 -6.870 1.00 0.00 C ATOM 465 O2' C A 18 15.863 5.252 -7.109 1.00 0.00 O ATOM 466 C1' C A 18 14.880 3.062 -6.685 1.00 0.00 C ATOM 467 N1 C A 18 14.902 2.191 -5.469 1.00 0.00 N ATOM 468 C2 C A 18 14.711 2.769 -4.153 1.00 0.00 C ATOM 469 O2 C A 18 14.521 3.989 -3.976 1.00 0.00 O ATOM 470 N3 C A 18 14.741 1.923 -3.063 1.00 0.00 N ATOM 471 C4 C A 18 14.942 0.583 -3.211 1.00 0.00 C ATOM 472 N4 C A 18 14.973 -0.270 -2.147 1.00 0.00 N ATOM 473 C5 C A 18 15.127 0.033 -4.530 1.00 0.00 C ATOM 474 C6 C A 18 15.102 0.844 -5.581 1.00 0.00 C ATOM 0 H5' C A 18 15.291 0.801 -10.066 1.00 0.00 H new ATOM 0 H5'' C A 18 16.908 1.425 -10.328 1.00 0.00 H new ATOM 0 H4' C A 18 15.502 3.193 -9.686 1.00 0.00 H new ATOM 0 H3' C A 18 17.580 2.433 -7.645 1.00 0.00 H new ATOM 0 H2' C A 18 16.816 3.911 -5.992 1.00 0.00 H new ATOM 0 HO2' C A 18 16.344 5.561 -7.905 1.00 0.00 H new ATOM 0 HO3' C A 18 18.413 4.413 -8.235 1.00 0.00 H new ATOM 0 H1' C A 18 14.037 3.726 -6.495 1.00 0.00 H new ATOM 0 H41 C A 18 15.126 -1.267 -2.297 1.00 0.00 H new ATOM 0 H42 C A 18 14.843 0.089 -1.201 1.00 0.00 H new ATOM 0 H5 C A 18 15.284 -1.027 -4.662 1.00 0.00 H new ATOM 0 H6 C A 18 15.246 0.422 -6.565 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.550 1.702 5.305 1.00 0.00 N ATOM 489 CA ASN B 1 9.628 1.463 4.160 1.00 0.00 C ATOM 490 C ASN B 1 8.396 2.350 4.249 1.00 0.00 C ATOM 491 O ASN B 1 7.884 2.613 5.344 1.00 0.00 O ATOM 492 CB ASN B 1 9.240 -0.054 4.118 1.00 0.00 C ATOM 493 CG ASN B 1 8.656 -0.499 2.760 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.407 -0.811 1.828 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.293 -0.562 2.667 1.00 0.00 N ATOM 0 H1 ASN B 1 11.527 1.771 4.955 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.289 2.589 5.781 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.478 0.913 5.979 1.00 0.00 H new ATOM 0 HA ASN B 1 10.137 1.724 3.232 1.00 0.00 H new ATOM 0 HB2 ASN B 1 10.123 -0.654 4.340 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.511 -0.257 4.903 1.00 0.00 H new ATOM 0 HD21 ASN B 1 6.855 -0.877 1.801 1.00 0.00 H new ATOM 0 HD22 ASN B 1 6.715 -0.294 3.463 1.00 0.00 H new ATOM 503 N ALA B 2 7.894 2.820 3.064 1.00 0.00 N ATOM 504 CA ALA B 2 6.716 3.656 2.930 1.00 0.00 C ATOM 505 C ALA B 2 5.520 2.729 2.848 1.00 0.00 C ATOM 506 O ALA B 2 5.141 2.237 1.778 1.00 0.00 O ATOM 507 CB ALA B 2 6.764 4.646 1.752 1.00 0.00 C ATOM 0 H ALA B 2 8.330 2.606 2.167 1.00 0.00 H new ATOM 0 HA ALA B 2 6.651 4.309 3.801 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.843 5.229 1.729 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.615 5.316 1.874 1.00 0.00 H new ATOM 0 HB3 ALA B 2 6.868 4.095 0.817 1.00 0.00 H new ATOM 513 N LYS B 3 4.949 2.456 4.053 1.00 0.00 N ATOM 514 CA LYS B 3 3.820 1.592 4.313 1.00 0.00 C ATOM 515 C LYS B 3 2.540 2.421 4.368 1.00 0.00 C ATOM 516 O LYS B 3 1.674 2.232 3.517 1.00 0.00 O ATOM 517 CB LYS B 3 4.044 0.690 5.573 1.00 0.00 C ATOM 518 CG LYS B 3 3.500 -0.763 5.501 1.00 0.00 C ATOM 519 CD LYS B 3 4.302 -1.773 4.632 1.00 0.00 C ATOM 520 CE LYS B 3 3.885 -1.895 3.152 1.00 0.00 C ATOM 521 NZ LYS B 3 4.708 -2.912 2.452 1.00 0.00 N ATOM 0 H LYS B 3 5.308 2.875 4.911 1.00 0.00 H new ATOM 0 HA LYS B 3 3.713 0.887 3.488 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.115 0.642 5.770 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.584 1.183 6.429 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.448 -1.156 6.516 1.00 0.00 H new ATOM 0 HG3 LYS B 3 2.479 -0.724 5.121 1.00 0.00 H new ATOM 0 HD2 LYS B 3 5.355 -1.492 4.667 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.220 -2.758 5.091 1.00 0.00 H new ATOM 0 HE2 LYS B 3 2.831 -2.167 3.088 1.00 0.00 H new ATOM 0 HE3 LYS B 3 3.995 -0.930 2.658 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 4.323 -3.074 1.500 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.688 -2.573 2.376 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 4.690 -3.803 2.989 1.00 0.00 H new ATOM 535 N THR B 4 2.411 3.370 5.353 1.00 0.00 N ATOM 536 CA THR B 4 1.265 4.268 5.568 1.00 0.00 C ATOM 537 C THR B 4 1.180 5.371 4.525 1.00 0.00 C ATOM 538 O THR B 4 0.074 5.638 4.056 1.00 0.00 O ATOM 539 CB THR B 4 1.104 4.856 6.985 1.00 0.00 C ATOM 540 OG1 THR B 4 2.330 5.360 7.510 1.00 0.00 O ATOM 541 CG2 THR B 4 0.491 3.802 7.943 1.00 0.00 C ATOM 0 H THR B 4 3.148 3.522 6.041 1.00 0.00 H new ATOM 0 HA THR B 4 0.420 3.590 5.450 1.00 0.00 H new ATOM 0 HB THR B 4 0.423 5.703 6.904 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.177 5.723 8.407 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.384 4.233 8.938 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.488 3.499 7.572 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.145 2.932 7.993 1.00 0.00 H new ATOM 549 N ARG B 5 2.318 6.009 4.111 1.00 0.00 N ATOM 550 CA ARG B 5 2.387 7.044 3.077 1.00 0.00 C ATOM 551 C ARG B 5 1.801 6.508 1.761 1.00 0.00 C ATOM 552 O ARG B 5 0.974 7.188 1.145 1.00 0.00 O ATOM 553 CB ARG B 5 3.826 7.621 2.888 1.00 0.00 C ATOM 554 CG ARG B 5 4.222 8.791 3.832 1.00 0.00 C ATOM 555 CD ARG B 5 4.516 8.481 5.325 1.00 0.00 C ATOM 556 NE ARG B 5 3.269 8.177 6.127 1.00 0.00 N ATOM 557 CZ ARG B 5 2.344 9.079 6.593 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.403 10.416 6.333 1.00 0.00 N ATOM 559 NH2 ARG B 5 1.317 8.587 7.352 1.00 0.00 N ATOM 0 H ARG B 5 3.231 5.797 4.512 1.00 0.00 H new ATOM 0 HA ARG B 5 1.781 7.887 3.410 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.542 6.811 3.027 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.926 7.962 1.858 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.108 9.267 3.413 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.419 9.527 3.800 1.00 0.00 H new ATOM 0 HD2 ARG B 5 5.196 7.631 5.386 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.029 9.332 5.772 1.00 0.00 H new ATOM 0 HE ARG B 5 3.097 7.196 6.345 1.00 0.00 H new ATOM 0 HH11 ARG B 5 3.163 10.792 5.766 1.00 0.00 H new ATOM 0 HH12 ARG B 5 1.687 11.040 6.706 1.00 0.00 H new ATOM 0 HH21 ARG B 5 1.262 7.588 7.550 1.00 0.00 H new ATOM 0 HH22 ARG B 5 0.606 9.219 7.720 1.00 0.00 H new ATOM 573 N ARG B 6 2.163 5.247 1.363 1.00 0.00 N ATOM 574 CA ARG B 6 1.642 4.509 0.227 1.00 0.00 C ATOM 575 C ARG B 6 0.155 4.211 0.488 1.00 0.00 C ATOM 576 O ARG B 6 -0.678 4.589 -0.338 1.00 0.00 O ATOM 577 CB ARG B 6 2.431 3.184 -0.030 1.00 0.00 C ATOM 578 CG ARG B 6 1.775 2.201 -1.029 1.00 0.00 C ATOM 579 CD ARG B 6 2.491 0.858 -1.155 1.00 0.00 C ATOM 580 NE ARG B 6 1.623 -0.128 -1.892 1.00 0.00 N ATOM 581 CZ ARG B 6 1.400 -0.175 -3.245 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.774 0.834 -4.080 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.788 -1.282 -3.769 1.00 0.00 N ATOM 0 H ARG B 6 2.867 4.713 1.873 1.00 0.00 H new ATOM 0 HA ARG B 6 1.759 5.116 -0.671 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.425 3.439 -0.398 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.565 2.671 0.922 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.745 2.022 -0.721 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.737 2.672 -2.011 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.435 0.989 -1.684 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.732 0.472 -0.165 1.00 0.00 H new ATOM 0 HE ARG B 6 1.152 -0.834 -1.326 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.237 1.661 -3.704 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.591 0.762 -5.081 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.509 -2.048 -3.156 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.611 -1.340 -4.772 1.00 0.00 H new ATOM 597 N HIS B 7 -0.184 3.509 1.628 1.00 0.00 N ATOM 598 CA HIS B 7 -1.506 3.103 2.075 1.00 0.00 C ATOM 599 C HIS B 7 -2.529 4.209 1.906 1.00 0.00 C ATOM 600 O HIS B 7 -3.516 3.943 1.248 1.00 0.00 O ATOM 601 CB HIS B 7 -1.553 2.516 3.516 1.00 0.00 C ATOM 602 CG HIS B 7 -2.930 2.114 3.978 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.952 2.927 4.321 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -3.380 0.828 4.120 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -5.006 2.138 4.676 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.638 0.875 4.539 1.00 0.00 N flip ATOM 0 H HIS B 7 0.537 3.206 2.283 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.773 2.279 1.414 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.899 1.646 3.563 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.151 3.254 4.210 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.938 3.947 4.316 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.810 -0.068 3.925 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.973 2.484 5.011 1.00 0.00 H new ATOM 615 N GLU B 8 -2.326 5.452 2.441 1.00 0.00 N ATOM 616 CA GLU B 8 -3.197 6.627 2.328 1.00 0.00 C ATOM 617 C GLU B 8 -3.732 6.817 0.895 1.00 0.00 C ATOM 618 O GLU B 8 -4.950 6.812 0.703 1.00 0.00 O ATOM 619 CB GLU B 8 -2.488 7.932 2.825 1.00 0.00 C ATOM 620 CG GLU B 8 -2.316 8.057 4.361 1.00 0.00 C ATOM 621 CD GLU B 8 -1.526 9.323 4.713 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.297 9.360 4.436 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.145 10.267 5.274 1.00 0.00 O ATOM 0 H GLU B 8 -1.493 5.654 2.994 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.049 6.437 2.980 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.503 7.988 2.361 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.057 8.791 2.470 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.294 8.087 4.841 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.798 7.179 4.747 1.00 0.00 H new ATOM 630 N ARG B 9 -2.833 6.943 -0.133 1.00 0.00 N ATOM 631 CA ARG B 9 -3.142 7.094 -1.557 1.00 0.00 C ATOM 632 C ARG B 9 -3.912 5.884 -2.113 1.00 0.00 C ATOM 633 O ARG B 9 -4.987 6.059 -2.691 1.00 0.00 O ATOM 634 CB ARG B 9 -1.881 7.349 -2.456 1.00 0.00 C ATOM 635 CG ARG B 9 -0.889 8.477 -2.056 1.00 0.00 C ATOM 636 CD ARG B 9 -1.421 9.929 -2.033 1.00 0.00 C ATOM 637 NE ARG B 9 -2.157 10.200 -0.735 1.00 0.00 N ATOM 638 CZ ARG B 9 -1.872 11.199 0.165 1.00 0.00 C ATOM 639 NH1 ARG B 9 -0.870 12.108 -0.022 1.00 0.00 N ATOM 640 NH2 ARG B 9 -2.624 11.287 1.303 1.00 0.00 N ATOM 0 H ARG B 9 -1.828 6.939 0.040 1.00 0.00 H new ATOM 0 HA ARG B 9 -3.770 7.983 -1.603 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.318 6.417 -2.506 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.233 7.563 -3.465 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -0.502 8.246 -1.064 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -0.045 8.440 -2.744 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.592 10.629 -2.142 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -2.089 10.092 -2.879 1.00 0.00 H new ATOM 0 HE ARG B 9 -2.937 9.583 -0.509 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -0.292 12.064 -0.861 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -0.700 12.831 0.678 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -3.377 10.620 1.469 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -2.432 12.020 1.986 1.00 0.00 H new ATOM 654 N ARG B 10 -3.379 4.633 -1.927 1.00 0.00 N ATOM 655 CA ARG B 10 -3.942 3.352 -2.352 1.00 0.00 C ATOM 656 C ARG B 10 -5.334 3.112 -1.745 1.00 0.00 C ATOM 657 O ARG B 10 -6.230 2.727 -2.486 1.00 0.00 O ATOM 658 CB ARG B 10 -2.957 2.177 -2.035 1.00 0.00 C ATOM 659 CG ARG B 10 -3.361 0.753 -2.504 1.00 0.00 C ATOM 660 CD ARG B 10 -2.239 -0.288 -2.309 1.00 0.00 C ATOM 661 NE ARG B 10 -2.718 -1.688 -2.620 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.679 -2.329 -3.831 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.295 -1.733 -4.994 1.00 0.00 N ATOM 664 NH2 ARG B 10 -3.052 -3.643 -3.852 1.00 0.00 N ATOM 0 H ARG B 10 -2.489 4.510 -1.444 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.074 3.389 -3.433 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.993 2.417 -2.483 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.808 2.145 -0.956 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.246 0.433 -1.954 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.637 0.788 -3.558 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.396 -0.040 -2.954 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.878 -0.246 -1.281 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.115 -2.214 -1.842 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.014 -0.752 -4.996 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.288 -2.267 -5.863 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.343 -4.104 -2.990 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.040 -4.163 -4.730 1.00 0.00 H new ATOM 678 N ARG B 11 -5.553 3.358 -0.413 1.00 0.00 N ATOM 679 CA ARG B 11 -6.762 3.272 0.393 1.00 0.00 C ATOM 680 C ARG B 11 -7.877 4.026 -0.309 1.00 0.00 C ATOM 681 O ARG B 11 -8.881 3.395 -0.615 1.00 0.00 O ATOM 682 CB ARG B 11 -6.525 3.776 1.842 1.00 0.00 C ATOM 683 CG ARG B 11 -7.723 3.683 2.803 1.00 0.00 C ATOM 684 CD ARG B 11 -7.818 4.834 3.799 1.00 0.00 C ATOM 685 NE ARG B 11 -9.018 4.551 4.670 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.661 5.447 5.485 1.00 0.00 C ATOM 687 NH1 ARG B 11 -9.232 6.729 5.670 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.789 5.021 6.134 1.00 0.00 N ATOM 0 H ARG B 11 -4.770 3.657 0.169 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.057 2.227 0.491 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.699 3.209 2.270 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.206 4.817 1.794 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.642 3.647 2.218 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.660 2.745 3.354 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.911 4.903 4.399 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.931 5.786 3.281 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.387 3.600 4.650 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.395 7.061 5.190 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.748 7.355 6.288 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -11.123 4.066 6.003 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -11.295 5.658 6.749 1.00 0.00 H new ATOM 702 N LYS B 12 -7.711 5.358 -0.608 1.00 0.00 N ATOM 703 CA LYS B 12 -8.645 6.233 -1.327 1.00 0.00 C ATOM 704 C LYS B 12 -9.250 5.517 -2.543 1.00 0.00 C ATOM 705 O LYS B 12 -10.474 5.421 -2.654 1.00 0.00 O ATOM 706 CB LYS B 12 -8.001 7.608 -1.712 1.00 0.00 C ATOM 707 CG LYS B 12 -7.698 8.535 -0.505 1.00 0.00 C ATOM 708 CD LYS B 12 -6.791 9.749 -0.823 1.00 0.00 C ATOM 709 CE LYS B 12 -6.467 10.670 0.376 1.00 0.00 C ATOM 710 NZ LYS B 12 -5.659 9.989 1.422 1.00 0.00 N ATOM 0 H LYS B 12 -6.867 5.857 -0.328 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.461 6.464 -0.642 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.073 7.422 -2.253 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -8.670 8.130 -2.396 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.642 8.902 -0.102 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.225 7.943 0.279 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -5.853 9.381 -1.240 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.271 10.346 -1.598 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -5.927 11.547 0.019 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.398 11.026 0.817 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.203 10.701 2.027 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.278 9.387 2.002 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -4.930 9.401 0.970 1.00 0.00 H new ATOM 724 N LEU B 13 -8.384 4.948 -3.435 1.00 0.00 N ATOM 725 CA LEU B 13 -8.728 4.167 -4.614 1.00 0.00 C ATOM 726 C LEU B 13 -9.383 2.843 -4.266 1.00 0.00 C ATOM 727 O LEU B 13 -10.457 2.571 -4.790 1.00 0.00 O ATOM 728 CB LEU B 13 -7.506 3.915 -5.537 1.00 0.00 C ATOM 729 CG LEU B 13 -6.989 5.201 -6.239 1.00 0.00 C ATOM 730 CD1 LEU B 13 -5.525 5.014 -6.713 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.999 5.691 -7.321 1.00 0.00 C ATOM 0 H LEU B 13 -7.374 5.041 -3.323 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.451 4.775 -5.157 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -6.698 3.482 -4.948 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -7.778 3.180 -6.295 1.00 0.00 H new ATOM 0 HG LEU B 13 -6.942 6.025 -5.527 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -5.182 5.926 -7.202 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -4.889 4.801 -5.854 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -5.474 4.183 -7.417 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.613 6.592 -7.797 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -8.133 4.913 -8.072 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -8.958 5.911 -6.851 1.00 0.00 H new ATOM 743 N ALA B 14 -8.777 2.010 -3.367 1.00 0.00 N ATOM 744 CA ALA B 14 -9.245 0.726 -2.856 1.00 0.00 C ATOM 745 C ALA B 14 -10.690 0.809 -2.426 1.00 0.00 C ATOM 746 O ALA B 14 -11.488 -0.037 -2.837 1.00 0.00 O ATOM 747 CB ALA B 14 -8.431 0.207 -1.657 1.00 0.00 C ATOM 0 H ALA B 14 -7.875 2.260 -2.961 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.120 0.031 -3.686 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.835 -0.751 -1.330 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.389 0.080 -1.952 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.491 0.924 -0.839 1.00 0.00 H new ATOM 753 N ILE B 15 -11.049 1.871 -1.623 1.00 0.00 N ATOM 754 CA ILE B 15 -12.394 2.135 -1.181 1.00 0.00 C ATOM 755 C ILE B 15 -13.257 2.351 -2.426 1.00 0.00 C ATOM 756 O ILE B 15 -14.210 1.600 -2.625 1.00 0.00 O ATOM 757 CB ILE B 15 -12.696 3.257 -0.151 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.689 3.442 1.028 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.111 2.937 0.394 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.099 4.842 1.061 1.00 0.00 C ATOM 0 H ILE B 15 -10.373 2.554 -1.281 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.622 1.250 -0.587 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.609 4.210 -0.672 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -12.195 3.240 1.972 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.885 2.712 0.935 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.396 3.689 1.130 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.827 2.944 -0.427 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -14.106 1.953 0.863 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.405 4.925 1.897 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.569 5.036 0.128 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.900 5.572 1.181 1.00 0.00 H new ATOM 772 N GLU B 16 -12.932 3.381 -3.269 1.00 0.00 N ATOM 773 CA GLU B 16 -13.643 3.770 -4.475 1.00 0.00 C ATOM 774 C GLU B 16 -13.922 2.606 -5.467 1.00 0.00 C ATOM 775 O GLU B 16 -14.970 2.603 -6.115 1.00 0.00 O ATOM 776 CB GLU B 16 -12.893 4.957 -5.198 1.00 0.00 C ATOM 777 CG GLU B 16 -13.702 5.695 -6.296 1.00 0.00 C ATOM 778 CD GLU B 16 -12.895 6.860 -6.880 1.00 0.00 C ATOM 779 OE1 GLU B 16 -11.893 6.597 -7.599 1.00 0.00 O ATOM 780 OE2 GLU B 16 -13.280 8.031 -6.622 1.00 0.00 O ATOM 0 H GLU B 16 -12.122 3.976 -3.093 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.626 4.102 -4.142 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.591 5.684 -4.444 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -11.980 4.566 -5.647 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.966 4.996 -7.090 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.636 6.069 -5.876 1.00 0.00 H new ATOM 787 N ARG B 17 -13.015 1.584 -5.591 1.00 0.00 N ATOM 788 CA ARG B 17 -13.156 0.373 -6.413 1.00 0.00 C ATOM 789 C ARG B 17 -14.446 -0.363 -6.010 1.00 0.00 C ATOM 790 O ARG B 17 -15.263 -0.696 -6.872 1.00 0.00 O ATOM 791 CB ARG B 17 -11.933 -0.605 -6.335 1.00 0.00 C ATOM 792 CG ARG B 17 -10.602 -0.067 -6.920 1.00 0.00 C ATOM 793 CD ARG B 17 -9.361 -0.923 -6.595 1.00 0.00 C ATOM 794 NE ARG B 17 -8.122 -0.158 -7.008 1.00 0.00 N ATOM 795 CZ ARG B 17 -6.961 -0.029 -6.283 1.00 0.00 C ATOM 796 NH1 ARG B 17 -6.766 -0.626 -5.070 1.00 0.00 N ATOM 797 NH2 ARG B 17 -5.951 0.734 -6.803 1.00 0.00 N ATOM 0 H ARG B 17 -12.128 1.601 -5.088 1.00 0.00 H new ATOM 0 HA ARG B 17 -13.201 0.705 -7.450 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.769 -0.869 -5.290 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -12.193 -1.525 -6.859 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -10.701 0.008 -8.003 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.438 0.943 -6.544 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.327 -1.150 -5.529 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -9.410 -1.876 -7.123 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.151 0.308 -7.915 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -7.502 -1.201 -4.660 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -5.884 -0.497 -4.574 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -6.070 1.190 -7.707 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -5.079 0.847 -6.286 1.00 0.00 H new ATOM 811 N ASP B 18 -14.645 -0.567 -4.674 1.00 0.00 N ATOM 812 CA ASP B 18 -15.788 -1.163 -3.998 1.00 0.00 C ATOM 813 C ASP B 18 -17.039 -0.279 -4.112 1.00 0.00 C ATOM 814 O ASP B 18 -18.103 -0.798 -4.461 1.00 0.00 O ATOM 815 CB ASP B 18 -15.507 -1.497 -2.491 1.00 0.00 C ATOM 816 CG ASP B 18 -14.410 -2.559 -2.321 1.00 0.00 C ATOM 817 OD1 ASP B 18 -14.624 -3.720 -2.765 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.349 -2.221 -1.731 1.00 0.00 O ATOM 0 H ASP B 18 -13.932 -0.285 -4.002 1.00 0.00 H new ATOM 0 HA ASP B 18 -15.971 -2.106 -4.513 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.212 -0.587 -1.969 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.426 -1.849 -2.022 1.00 0.00 H new ATOM 823 N THR B 19 -16.920 1.057 -3.817 1.00 0.00 N ATOM 824 CA THR B 19 -17.951 2.105 -3.839 1.00 0.00 C ATOM 825 C THR B 19 -18.848 2.006 -5.101 1.00 0.00 C ATOM 826 O THR B 19 -18.315 2.067 -6.243 1.00 0.00 O ATOM 827 CB THR B 19 -17.467 3.569 -3.653 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.771 4.099 -4.765 1.00 0.00 O ATOM 829 CG2 THR B 19 -16.737 3.829 -2.316 1.00 0.00 C ATOM 830 OXT THR B 19 -20.086 1.856 -4.920 1.00 0.00 O ATOM 0 H THR B 19 -16.018 1.441 -3.537 1.00 0.00 H new ATOM 0 HA THR B 19 -18.527 1.885 -2.940 1.00 0.00 H new ATOM 0 HB THR B 19 -18.395 4.138 -3.595 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.236 3.392 -5.183 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.432 4.874 -2.265 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.407 3.606 -1.486 1.00 0.00 H new ATOM 0 HG23 THR B 19 -15.856 3.190 -2.252 1.00 0.00 H new TER 838 THR B 19