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 146:sc= -0.383 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -2.34 K(o=-2.7,f=-0.73) 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 -20:sc= 0.0335 USER MOD Single : A 6 G O2' : rot -15:sc= 0.0553 USER MOD Single : A 7 C O2' : rot -117:sc= 0.853 USER MOD Single : A 8 U O2' : rot -15:sc= 0.0533 USER MOD Single : A 9 G O2' : rot 179:sc= 0.804 USER MOD Single : A 10 A O2' : rot -99:sc= 0.142 USER MOD Single : A 12 A O2' : rot -114:sc= 0.203 USER MOD Single : A 13 A O2' : rot -22:sc= 0.0125 USER MOD Single : A 14 A O2' : rot 180:sc=-0.000718 USER MOD Single : A 15 G O2' : rot -15:sc= 0.0429 USER MOD Single : A 16 C O2' : rot -21:sc= 0.00966 USER MOD Single : A 17 G O2' : rot -27:sc= 0.0312 USER MOD Single : A 18 C O2' : rot -13:sc= 0.0541 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0622 USER MOD Single : B 1 ASN : amide:sc=-0.00125 K(o=-0.0013,f=-3!) USER MOD Single : B 1 ASN N :NH3+ -176:sc= 0 (180deg=-0.0211) USER MOD Single : B 3 LYS NZ :NH3+ 155:sc= 0.537 (180deg=-0.348) 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 -74:sc= -0.619 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.407 7.196 7.294 1.00 0.00 O ATOM 2 C5' G A 4 10.451 6.291 6.963 1.00 0.00 C ATOM 3 C4' G A 4 11.236 6.810 5.747 1.00 0.00 C ATOM 4 O4' G A 4 12.313 5.891 5.417 1.00 0.00 O ATOM 5 C3' G A 4 10.423 6.871 4.450 1.00 0.00 C ATOM 6 O3' G A 4 9.629 8.061 4.334 1.00 0.00 O ATOM 7 C2' G A 4 11.487 6.755 3.365 1.00 0.00 C ATOM 8 O2' G A 4 11.927 7.974 2.766 1.00 0.00 O ATOM 9 C1' G A 4 12.641 6.016 4.023 1.00 0.00 C ATOM 10 N9 G A 4 12.923 4.704 3.394 1.00 0.00 N ATOM 11 C8 G A 4 12.740 3.487 3.932 1.00 0.00 C ATOM 12 N7 G A 4 13.079 2.482 3.160 1.00 0.00 N ATOM 13 C5 G A 4 13.520 3.080 2.007 1.00 0.00 C ATOM 14 C6 G A 4 14.002 2.475 0.837 1.00 0.00 C ATOM 15 O6 G A 4 14.118 1.258 0.662 1.00 0.00 O ATOM 16 N1 G A 4 14.358 3.449 -0.144 1.00 0.00 N ATOM 17 C2 G A 4 14.259 4.845 0.000 1.00 0.00 C ATOM 18 N2 G A 4 14.669 5.519 -1.112 1.00 0.00 N ATOM 19 N3 G A 4 13.788 5.385 1.157 1.00 0.00 N ATOM 20 C4 G A 4 13.440 4.469 2.106 1.00 0.00 C ATOM 0 H5' G A 4 10.034 5.308 6.744 1.00 0.00 H new ATOM 0 H5'' G A 4 11.122 6.171 7.814 1.00 0.00 H new ATOM 0 H4' G A 4 11.558 7.806 6.050 1.00 0.00 H new ATOM 0 H3' G A 4 9.675 6.081 4.390 1.00 0.00 H new ATOM 0 H2' G A 4 11.053 6.233 2.512 1.00 0.00 H new ATOM 0 HO2' G A 4 12.608 7.779 2.088 1.00 0.00 H new ATOM 0 HO5' G A 4 8.912 6.856 8.068 1.00 0.00 H new ATOM 0 H1' G A 4 13.565 6.579 3.893 1.00 0.00 H new ATOM 0 H8 G A 4 12.343 3.346 4.927 1.00 0.00 H new ATOM 0 H1 G A 4 14.718 3.100 -1.032 1.00 0.00 H new ATOM 0 H21 G A 4 14.644 6.539 -1.129 1.00 0.00 H new ATOM 0 H22 G A 4 15.001 5.004 -1.927 1.00 0.00 H new ATOM 33 P C A 5 8.286 8.134 3.481 1.00 0.00 P ATOM 34 OP1 C A 5 7.710 9.490 3.648 1.00 0.00 O ATOM 35 OP2 C A 5 7.412 7.007 3.868 1.00 0.00 O ATOM 36 O5' C A 5 8.756 7.920 1.967 1.00 0.00 O ATOM 37 C5' C A 5 9.215 8.999 1.153 1.00 0.00 C ATOM 38 C4' C A 5 9.555 8.610 -0.318 1.00 0.00 C ATOM 39 O4' C A 5 10.802 7.846 -0.451 1.00 0.00 O ATOM 40 C3' C A 5 8.502 7.791 -1.069 1.00 0.00 C ATOM 41 O3' C A 5 7.436 8.614 -1.548 1.00 0.00 O ATOM 42 C2' C A 5 9.319 7.093 -2.169 1.00 0.00 C ATOM 43 O2' C A 5 9.496 7.890 -3.338 1.00 0.00 O ATOM 44 C1' C A 5 10.658 6.812 -1.463 1.00 0.00 C ATOM 45 N1 C A 5 10.735 5.445 -0.850 1.00 0.00 N ATOM 46 C2 C A 5 11.129 4.319 -1.656 1.00 0.00 C ATOM 47 O2 C A 5 11.401 4.426 -2.866 1.00 0.00 O ATOM 48 N3 C A 5 11.198 3.086 -1.046 1.00 0.00 N ATOM 49 C4 C A 5 10.910 2.914 0.269 1.00 0.00 C ATOM 50 N4 C A 5 10.969 1.682 0.843 1.00 0.00 N ATOM 51 C5 C A 5 10.521 4.050 1.071 1.00 0.00 C ATOM 52 C6 C A 5 10.447 5.245 0.478 1.00 0.00 C ATOM 0 H5' C A 5 10.103 9.431 1.614 1.00 0.00 H new ATOM 0 H5'' C A 5 8.451 9.777 1.141 1.00 0.00 H new ATOM 0 H4' C A 5 9.625 9.602 -0.764 1.00 0.00 H new ATOM 0 H3' C A 5 7.978 7.064 -0.449 1.00 0.00 H new ATOM 0 H2' C A 5 8.822 6.201 -2.549 1.00 0.00 H new ATOM 0 HO2' C A 5 8.814 8.593 -3.361 1.00 0.00 H new ATOM 0 H1' C A 5 11.469 6.832 -2.191 1.00 0.00 H new ATOM 0 H41 C A 5 10.750 1.569 1.833 1.00 0.00 H new ATOM 0 H42 C A 5 11.233 0.871 0.284 1.00 0.00 H new ATOM 0 H5 C A 5 10.296 3.937 2.121 1.00 0.00 H new ATOM 0 H6 C A 5 10.146 6.095 1.072 1.00 0.00 H new ATOM 64 P G A 6 6.028 8.014 -1.980 1.00 0.00 P ATOM 65 OP1 G A 6 5.084 9.137 -2.165 1.00 0.00 O ATOM 66 OP2 G A 6 5.620 6.958 -1.021 1.00 0.00 O ATOM 67 O5' G A 6 6.360 7.400 -3.410 1.00 0.00 O ATOM 68 C5' G A 6 5.853 6.132 -3.800 1.00 0.00 C ATOM 69 C4' G A 6 6.624 5.578 -5.014 1.00 0.00 C ATOM 70 O4' G A 6 7.945 5.091 -4.622 1.00 0.00 O ATOM 71 C3' G A 6 5.930 4.369 -5.640 1.00 0.00 C ATOM 72 O3' G A 6 5.028 4.779 -6.673 1.00 0.00 O ATOM 73 C2' G A 6 7.072 3.489 -6.155 1.00 0.00 C ATOM 74 O2' G A 6 7.554 3.869 -7.447 1.00 0.00 O ATOM 75 C1' G A 6 8.152 3.751 -5.092 1.00 0.00 C ATOM 76 N9 G A 6 8.298 2.799 -3.951 1.00 0.00 N ATOM 77 C8 G A 6 8.134 3.033 -2.622 1.00 0.00 C ATOM 78 N7 G A 6 8.378 2.010 -1.845 1.00 0.00 N ATOM 79 C5 G A 6 8.730 1.010 -2.705 1.00 0.00 C ATOM 80 C6 G A 6 9.093 -0.306 -2.401 1.00 0.00 C ATOM 81 O6 G A 6 9.165 -0.777 -1.261 1.00 0.00 O ATOM 82 N1 G A 6 9.386 -1.048 -3.580 1.00 0.00 N ATOM 83 C2 G A 6 9.333 -0.565 -4.902 1.00 0.00 C ATOM 84 N2 G A 6 9.657 -1.509 -5.828 1.00 0.00 N ATOM 85 N3 G A 6 8.978 0.724 -5.148 1.00 0.00 N ATOM 86 C4 G A 6 8.692 1.450 -4.032 1.00 0.00 C ATOM 0 H5' G A 6 4.795 6.220 -4.046 1.00 0.00 H new ATOM 0 H5'' G A 6 5.930 5.434 -2.967 1.00 0.00 H new ATOM 0 H4' G A 6 6.679 6.410 -5.717 1.00 0.00 H new ATOM 0 H3' G A 6 5.308 3.820 -4.933 1.00 0.00 H new ATOM 0 H2' G A 6 6.770 2.449 -6.283 1.00 0.00 H new ATOM 0 HO2' G A 6 6.912 4.477 -7.870 1.00 0.00 H new ATOM 0 H1' G A 6 9.103 3.591 -5.601 1.00 0.00 H new ATOM 0 H8 G A 6 7.825 3.993 -2.236 1.00 0.00 H new ATOM 0 H1 G A 6 9.661 -2.022 -3.456 1.00 0.00 H new ATOM 0 H21 G A 6 9.653 -1.273 -6.820 1.00 0.00 H new ATOM 0 H22 G A 6 9.904 -2.453 -5.529 1.00 0.00 H new ATOM 98 P C A 7 3.572 4.167 -6.798 1.00 0.00 P ATOM 99 OP1 C A 7 2.914 4.745 -7.994 1.00 0.00 O ATOM 100 OP2 C A 7 2.860 4.325 -5.508 1.00 0.00 O ATOM 101 O5' C A 7 3.875 2.632 -7.029 1.00 0.00 O ATOM 102 C5' C A 7 4.308 2.094 -8.277 1.00 0.00 C ATOM 103 C4' C A 7 4.546 0.562 -8.210 1.00 0.00 C ATOM 104 O4' C A 7 5.791 0.226 -7.497 1.00 0.00 O ATOM 105 C3' C A 7 3.459 -0.187 -7.439 1.00 0.00 C ATOM 106 O3' C A 7 2.298 -0.432 -8.234 1.00 0.00 O ATOM 107 C2' C A 7 4.171 -1.435 -6.940 1.00 0.00 C ATOM 108 O2' C A 7 4.117 -2.542 -7.839 1.00 0.00 O ATOM 109 C1' C A 7 5.633 -1.016 -6.768 1.00 0.00 C ATOM 110 N1 C A 7 5.874 -0.894 -5.306 1.00 0.00 N ATOM 111 C2 C A 7 6.212 -2.072 -4.532 1.00 0.00 C ATOM 112 O2 C A 7 6.403 -3.187 -5.055 1.00 0.00 O ATOM 113 N3 C A 7 6.321 -1.938 -3.164 1.00 0.00 N ATOM 114 C4 C A 7 6.120 -0.737 -2.555 1.00 0.00 C ATOM 115 N4 C A 7 6.203 -0.609 -1.200 1.00 0.00 N ATOM 116 C5 C A 7 5.794 0.417 -3.363 1.00 0.00 C ATOM 117 C6 C A 7 5.688 0.298 -4.668 1.00 0.00 C ATOM 0 H5' C A 7 5.230 2.589 -8.583 1.00 0.00 H new ATOM 0 H5'' C A 7 3.561 2.310 -9.041 1.00 0.00 H new ATOM 0 H4' C A 7 4.568 0.263 -9.258 1.00 0.00 H new ATOM 0 H3' C A 7 3.044 0.383 -6.608 1.00 0.00 H new ATOM 0 H2' C A 7 3.686 -1.779 -6.027 1.00 0.00 H new ATOM 0 HO2' C A 7 3.633 -3.282 -7.417 1.00 0.00 H new ATOM 0 H1' C A 7 6.362 -1.725 -7.160 1.00 0.00 H new ATOM 0 H41 C A 7 6.049 0.300 -0.763 1.00 0.00 H new ATOM 0 H42 C A 7 6.419 -1.422 -0.623 1.00 0.00 H new ATOM 0 H5 C A 7 5.637 1.377 -2.894 1.00 0.00 H new ATOM 0 H6 C A 7 5.446 1.172 -5.254 1.00 0.00 H new ATOM 129 P U A 8 0.846 -0.717 -7.652 1.00 0.00 P ATOM 130 OP1 U A 8 -0.116 -0.691 -8.781 1.00 0.00 O ATOM 131 OP2 U A 8 0.565 0.224 -6.548 1.00 0.00 O ATOM 132 O5' U A 8 0.959 -2.205 -7.055 1.00 0.00 O ATOM 133 C5' U A 8 0.989 -3.289 -7.992 1.00 0.00 C ATOM 134 C4' U A 8 1.329 -4.678 -7.395 1.00 0.00 C ATOM 135 O4' U A 8 2.645 -4.769 -6.788 1.00 0.00 O ATOM 136 C3' U A 8 0.365 -5.259 -6.373 1.00 0.00 C ATOM 137 O3' U A 8 -0.795 -5.792 -7.020 1.00 0.00 O ATOM 138 C2' U A 8 1.222 -6.342 -5.693 1.00 0.00 C ATOM 139 O2' U A 8 1.243 -7.596 -6.380 1.00 0.00 O ATOM 140 C1' U A 8 2.630 -5.713 -5.698 1.00 0.00 C ATOM 141 N1 U A 8 3.027 -5.067 -4.404 1.00 0.00 N ATOM 142 C2 U A 8 3.294 -5.915 -3.273 1.00 0.00 C ATOM 143 O2 U A 8 3.235 -7.152 -3.274 1.00 0.00 O ATOM 144 N3 U A 8 3.649 -5.217 -2.099 1.00 0.00 N ATOM 145 C4 U A 8 3.759 -3.810 -1.943 1.00 0.00 C ATOM 146 O4 U A 8 4.070 -3.309 -0.860 1.00 0.00 O ATOM 147 C5 U A 8 3.472 -3.052 -3.146 1.00 0.00 C ATOM 148 C6 U A 8 3.130 -3.687 -4.284 1.00 0.00 C ATOM 0 H5' U A 8 1.720 -3.057 -8.766 1.00 0.00 H new ATOM 0 H5'' U A 8 0.017 -3.351 -8.480 1.00 0.00 H new ATOM 0 H4' U A 8 1.260 -5.265 -8.311 1.00 0.00 H new ATOM 0 H3' U A 8 -0.032 -4.535 -5.661 1.00 0.00 H new ATOM 0 H2' U A 8 0.827 -6.592 -4.708 1.00 0.00 H new ATOM 0 HO2' U A 8 0.522 -7.618 -7.043 1.00 0.00 H new ATOM 0 H1' U A 8 3.372 -6.501 -5.826 1.00 0.00 H new ATOM 0 H3 U A 8 3.848 -5.784 -1.275 1.00 0.00 H new ATOM 0 H5 U A 8 3.533 -1.974 -3.129 1.00 0.00 H new ATOM 0 H6 U A 8 2.923 -3.086 -5.157 1.00 0.00 H new ATOM 159 P G A 9 -2.240 -5.661 -6.380 1.00 0.00 P ATOM 160 OP1 G A 9 -3.211 -6.377 -7.239 1.00 0.00 O ATOM 161 OP2 G A 9 -2.527 -4.236 -6.093 1.00 0.00 O ATOM 162 O5' G A 9 -2.062 -6.415 -5.009 1.00 0.00 O ATOM 163 C5' G A 9 -2.085 -7.827 -4.839 1.00 0.00 C ATOM 164 C4' G A 9 -2.169 -8.212 -3.338 1.00 0.00 C ATOM 165 O4' G A 9 -0.912 -7.932 -2.642 1.00 0.00 O ATOM 166 C3' G A 9 -3.229 -7.413 -2.573 1.00 0.00 C ATOM 167 O3' G A 9 -4.490 -8.066 -2.600 1.00 0.00 O ATOM 168 C2' G A 9 -2.685 -7.268 -1.158 1.00 0.00 C ATOM 169 O2' G A 9 -3.056 -8.349 -0.305 1.00 0.00 O ATOM 170 C1' G A 9 -1.156 -7.284 -1.382 1.00 0.00 C ATOM 171 N9 G A 9 -0.481 -5.948 -1.370 1.00 0.00 N ATOM 172 C8 G A 9 -0.099 -5.144 -2.409 1.00 0.00 C ATOM 173 N7 G A 9 0.470 -4.019 -2.055 1.00 0.00 N ATOM 174 C5 G A 9 0.476 -4.058 -0.690 1.00 0.00 C ATOM 175 C6 G A 9 0.969 -3.102 0.204 1.00 0.00 C ATOM 176 O6 G A 9 1.486 -2.033 -0.120 1.00 0.00 O ATOM 177 N1 G A 9 0.791 -3.512 1.551 1.00 0.00 N ATOM 178 C2 G A 9 0.200 -4.714 1.969 1.00 0.00 C ATOM 179 N2 G A 9 0.162 -4.846 3.312 1.00 0.00 N ATOM 180 N3 G A 9 -0.268 -5.614 1.071 1.00 0.00 N ATOM 181 C4 G A 9 -0.105 -5.239 -0.221 1.00 0.00 C ATOM 0 H5' G A 9 -1.188 -8.263 -5.279 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.938 -8.246 -5.373 1.00 0.00 H new ATOM 0 H4' G A 9 -2.413 -9.274 -3.346 1.00 0.00 H new ATOM 0 H3' G A 9 -3.407 -6.437 -3.025 1.00 0.00 H new ATOM 0 H2' G A 9 -3.070 -6.375 -0.666 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.668 -8.212 0.584 1.00 0.00 H new ATOM 0 H1' G A 9 -0.724 -7.814 -0.534 1.00 0.00 H new ATOM 0 H8 G A 9 -0.255 -5.416 -3.442 1.00 0.00 H new ATOM 0 H1 G A 9 1.121 -2.878 2.278 1.00 0.00 H new ATOM 0 H21 G A 9 -0.246 -5.682 3.731 1.00 0.00 H new ATOM 0 H22 G A 9 0.542 -4.110 3.908 1.00 0.00 H new ATOM 193 P A A 10 -5.736 -7.665 -3.466 1.00 0.00 P ATOM 194 OP1 A A 10 -5.674 -8.375 -4.763 1.00 0.00 O ATOM 195 OP2 A A 10 -5.873 -6.190 -3.507 1.00 0.00 O ATOM 196 O5' A A 10 -6.850 -8.341 -2.568 1.00 0.00 O ATOM 197 C5' A A 10 -7.954 -7.695 -1.952 1.00 0.00 C ATOM 198 C4' A A 10 -7.755 -7.367 -0.447 1.00 0.00 C ATOM 199 O4' A A 10 -7.218 -8.499 0.281 1.00 0.00 O ATOM 200 C3' A A 10 -6.794 -6.200 -0.128 1.00 0.00 C ATOM 201 O3' A A 10 -7.521 -5.001 0.152 1.00 0.00 O ATOM 202 C2' A A 10 -5.932 -6.701 1.067 1.00 0.00 C ATOM 203 O2' A A 10 -5.860 -5.811 2.179 1.00 0.00 O ATOM 204 C1' A A 10 -6.613 -8.016 1.473 1.00 0.00 C ATOM 205 N9 A A 10 -5.756 -9.100 2.013 1.00 0.00 N ATOM 206 C8 A A 10 -5.006 -10.036 1.365 1.00 0.00 C ATOM 207 N7 A A 10 -4.391 -10.884 2.158 1.00 0.00 N ATOM 208 C5 A A 10 -4.754 -10.485 3.421 1.00 0.00 C ATOM 209 C6 A A 10 -4.407 -11.014 4.684 1.00 0.00 C ATOM 210 N6 A A 10 -3.591 -12.109 4.761 1.00 0.00 N ATOM 211 N1 A A 10 -4.961 -10.353 5.759 1.00 0.00 N ATOM 212 C2 A A 10 -5.759 -9.296 5.548 1.00 0.00 C ATOM 213 N3 A A 10 -6.137 -8.736 4.418 1.00 0.00 N ATOM 214 C4 A A 10 -5.594 -9.384 3.366 1.00 0.00 C ATOM 0 H5' A A 10 -8.834 -8.329 -2.059 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.161 -6.769 -2.488 1.00 0.00 H new ATOM 0 H4' A A 10 -8.765 -7.090 -0.143 1.00 0.00 H new ATOM 0 H3' A A 10 -6.154 -5.935 -0.969 1.00 0.00 H new ATOM 0 H2' A A 10 -4.890 -6.800 0.763 1.00 0.00 H new ATOM 0 HO2' A A 10 -5.018 -5.311 2.144 1.00 0.00 H new ATOM 0 H1' A A 10 -7.280 -7.776 2.301 1.00 0.00 H new ATOM 0 H8 A A 10 -4.924 -10.077 0.289 1.00 0.00 H new ATOM 0 H61 A A 10 -3.338 -12.494 5.671 1.00 0.00 H new ATOM 0 H62 A A 10 -3.235 -12.541 3.908 1.00 0.00 H new ATOM 0 H2 A A 10 -6.152 -8.834 6.442 1.00 0.00 H new ATOM 226 P C A 11 -8.163 -4.046 -0.949 1.00 0.00 P ATOM 227 OP1 C A 11 -9.635 -4.144 -0.836 1.00 0.00 O ATOM 228 OP2 C A 11 -7.584 -4.293 -2.292 1.00 0.00 O ATOM 229 O5' C A 11 -7.731 -2.614 -0.451 1.00 0.00 O ATOM 230 C5' C A 11 -6.429 -2.071 -0.661 1.00 0.00 C ATOM 231 C4' C A 11 -5.928 -1.297 0.581 1.00 0.00 C ATOM 232 O4' C A 11 -6.925 -0.305 1.006 1.00 0.00 O ATOM 233 C3' C A 11 -5.716 -2.202 1.801 1.00 0.00 C ATOM 234 O3' C A 11 -4.379 -2.080 2.282 1.00 0.00 O ATOM 235 C2' C A 11 -6.774 -1.788 2.821 1.00 0.00 C ATOM 236 O2' C A 11 -6.383 -1.899 4.184 1.00 0.00 O ATOM 237 C1' C A 11 -7.157 -0.368 2.424 1.00 0.00 C ATOM 238 N1 C A 11 -8.598 -0.137 2.793 1.00 0.00 N ATOM 239 C2 C A 11 -8.945 0.330 4.123 1.00 0.00 C ATOM 240 O2 C A 11 -8.082 0.584 4.989 1.00 0.00 O ATOM 241 N3 C A 11 -10.285 0.491 4.423 1.00 0.00 N ATOM 242 C4 C A 11 -11.259 0.225 3.512 1.00 0.00 C ATOM 243 N4 C A 11 -12.583 0.368 3.816 1.00 0.00 N ATOM 244 C5 C A 11 -10.897 -0.235 2.188 1.00 0.00 C ATOM 245 C6 C A 11 -9.611 -0.394 1.894 1.00 0.00 C ATOM 0 H5' C A 11 -6.447 -1.404 -1.523 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.732 -2.876 -0.895 1.00 0.00 H new ATOM 0 H4' C A 11 -4.985 -0.844 0.274 1.00 0.00 H new ATOM 0 H3' C A 11 -5.835 -3.260 1.566 1.00 0.00 H new ATOM 0 H2' C A 11 -7.619 -2.476 2.786 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.805 -1.184 4.705 1.00 0.00 H new ATOM 0 H1' C A 11 -6.582 0.407 2.931 1.00 0.00 H new ATOM 0 H41 C A 11 -13.293 0.161 3.113 1.00 0.00 H new ATOM 0 H42 C A 11 -12.862 0.681 4.746 1.00 0.00 H new ATOM 0 H5 C A 11 -11.659 -0.445 1.452 1.00 0.00 H new ATOM 0 H6 C A 11 -9.347 -0.740 0.906 1.00 0.00 H new ATOM 257 P A A 12 -3.357 -3.258 2.536 1.00 0.00 P ATOM 258 OP1 A A 12 -2.051 -2.651 2.883 1.00 0.00 O ATOM 259 OP2 A A 12 -3.374 -4.188 1.383 1.00 0.00 O ATOM 260 O5' A A 12 -3.941 -4.018 3.792 1.00 0.00 O ATOM 261 C5' A A 12 -3.856 -3.596 5.147 1.00 0.00 C ATOM 262 C4' A A 12 -3.340 -4.702 6.100 1.00 0.00 C ATOM 263 O4' A A 12 -3.794 -6.031 5.659 1.00 0.00 O ATOM 264 C3' A A 12 -1.815 -4.829 6.182 1.00 0.00 C ATOM 265 O3' A A 12 -1.210 -3.885 7.071 1.00 0.00 O ATOM 266 C2' A A 12 -1.630 -6.281 6.622 1.00 0.00 C ATOM 267 O2' A A 12 -1.678 -6.480 8.034 1.00 0.00 O ATOM 268 C1' A A 12 -2.782 -7.012 5.917 1.00 0.00 C ATOM 269 N9 A A 12 -2.403 -7.790 4.687 1.00 0.00 N ATOM 270 C8 A A 12 -2.619 -7.545 3.348 1.00 0.00 C ATOM 271 N7 A A 12 -2.158 -8.469 2.550 1.00 0.00 N ATOM 272 C5 A A 12 -1.596 -9.399 3.374 1.00 0.00 C ATOM 273 C6 A A 12 -0.953 -10.608 3.049 1.00 0.00 C ATOM 274 N6 A A 12 -0.853 -10.979 1.734 1.00 0.00 N ATOM 275 N1 A A 12 -0.489 -11.324 4.126 1.00 0.00 N ATOM 276 C2 A A 12 -0.666 -10.856 5.366 1.00 0.00 C ATOM 277 N3 A A 12 -1.261 -9.733 5.770 1.00 0.00 N ATOM 278 C4 A A 12 -1.717 -9.026 4.703 1.00 0.00 C ATOM 0 H5' A A 12 -4.840 -3.268 5.481 1.00 0.00 H new ATOM 0 H5'' A A 12 -3.194 -2.733 5.211 1.00 0.00 H new ATOM 0 H4' A A 12 -3.737 -4.397 7.068 1.00 0.00 H new ATOM 0 H3' A A 12 -1.318 -4.601 5.239 1.00 0.00 H new ATOM 0 H2' A A 12 -0.639 -6.648 6.356 1.00 0.00 H new ATOM 0 HO2' A A 12 -0.800 -6.778 8.352 1.00 0.00 H new ATOM 0 H1' A A 12 -3.144 -7.800 6.577 1.00 0.00 H new ATOM 0 H8 A A 12 -3.127 -6.662 2.989 1.00 0.00 H new ATOM 0 H61 A A 12 -0.390 -11.853 1.484 1.00 0.00 H new ATOM 0 H62 A A 12 -1.242 -10.382 1.005 1.00 0.00 H new ATOM 0 H2 A A 12 -0.269 -11.478 6.155 1.00 0.00 H new ATOM 290 P A A 13 0.259 -3.293 6.867 1.00 0.00 P ATOM 291 OP1 A A 13 0.481 -2.248 7.895 1.00 0.00 O ATOM 292 OP2 A A 13 0.434 -2.866 5.461 1.00 0.00 O ATOM 293 O5' A A 13 1.232 -4.535 7.136 1.00 0.00 O ATOM 294 C5' A A 13 1.510 -4.974 8.466 1.00 0.00 C ATOM 295 C4' A A 13 2.093 -6.408 8.550 1.00 0.00 C ATOM 296 O4' A A 13 1.215 -7.391 7.894 1.00 0.00 O ATOM 297 C3' A A 13 3.453 -6.643 7.881 1.00 0.00 C ATOM 298 O3' A A 13 4.579 -6.200 8.643 1.00 0.00 O ATOM 299 C2' A A 13 3.441 -8.167 7.697 1.00 0.00 C ATOM 300 O2' A A 13 3.742 -8.907 8.883 1.00 0.00 O ATOM 301 C1' A A 13 2.000 -8.410 7.235 1.00 0.00 C ATOM 302 N9 A A 13 1.840 -8.374 5.737 1.00 0.00 N ATOM 303 C8 A A 13 1.345 -7.378 4.950 1.00 0.00 C ATOM 304 N7 A A 13 1.330 -7.632 3.668 1.00 0.00 N ATOM 305 C5 A A 13 1.850 -8.884 3.564 1.00 0.00 C ATOM 306 C6 A A 13 2.069 -9.662 2.413 1.00 0.00 C ATOM 307 N6 A A 13 1.734 -9.152 1.185 1.00 0.00 N ATOM 308 N1 A A 13 2.615 -10.899 2.652 1.00 0.00 N ATOM 309 C2 A A 13 2.893 -11.278 3.905 1.00 0.00 C ATOM 310 N3 A A 13 2.722 -10.616 5.053 1.00 0.00 N ATOM 311 C4 A A 13 2.183 -9.393 4.815 1.00 0.00 C ATOM 0 H5' A A 13 0.591 -4.932 9.051 1.00 0.00 H new ATOM 0 H5'' A A 13 2.213 -4.280 8.927 1.00 0.00 H new ATOM 0 H4' A A 13 2.192 -6.528 9.629 1.00 0.00 H new ATOM 0 H3' A A 13 3.569 -6.069 6.961 1.00 0.00 H new ATOM 0 H2' A A 13 4.212 -8.505 7.005 1.00 0.00 H new ATOM 0 HO2' A A 13 4.239 -8.337 9.507 1.00 0.00 H new ATOM 0 H1' A A 13 1.671 -9.414 7.503 1.00 0.00 H new ATOM 0 H8 A A 13 0.990 -6.443 5.357 1.00 0.00 H new ATOM 0 H61 A A 13 1.888 -9.707 0.343 1.00 0.00 H new ATOM 0 H62 A A 13 1.331 -8.218 1.114 1.00 0.00 H new ATOM 0 H2 A A 13 3.319 -12.266 4.003 1.00 0.00 H new ATOM 323 P A A 14 5.854 -5.527 7.954 1.00 0.00 P ATOM 324 OP1 A A 14 6.833 -5.194 9.014 1.00 0.00 O ATOM 325 OP2 A A 14 5.402 -4.404 7.097 1.00 0.00 O ATOM 326 O5' A A 14 6.465 -6.654 7.005 1.00 0.00 O ATOM 327 C5' A A 14 7.112 -7.819 7.499 1.00 0.00 C ATOM 328 C4' A A 14 7.277 -8.954 6.449 1.00 0.00 C ATOM 329 O4' A A 14 5.981 -9.390 5.905 1.00 0.00 O ATOM 330 C3' A A 14 8.108 -8.611 5.209 1.00 0.00 C ATOM 331 O3' A A 14 9.511 -8.781 5.419 1.00 0.00 O ATOM 332 C2' A A 14 7.522 -9.559 4.150 1.00 0.00 C ATOM 333 O2' A A 14 8.023 -10.895 4.188 1.00 0.00 O ATOM 334 C1' A A 14 6.033 -9.522 4.472 1.00 0.00 C ATOM 335 N9 A A 14 5.312 -8.391 3.778 1.00 0.00 N ATOM 336 C8 A A 14 4.780 -7.269 4.329 1.00 0.00 C ATOM 337 N7 A A 14 4.221 -6.435 3.499 1.00 0.00 N ATOM 338 C5 A A 14 4.379 -7.028 2.281 1.00 0.00 C ATOM 339 C6 A A 14 3.969 -6.578 1.017 1.00 0.00 C ATOM 340 N6 A A 14 3.308 -5.387 0.925 1.00 0.00 N ATOM 341 N1 A A 14 4.281 -7.410 -0.024 1.00 0.00 N ATOM 342 C2 A A 14 4.928 -8.556 0.210 1.00 0.00 C ATOM 343 N3 A A 14 5.358 -9.072 1.367 1.00 0.00 N ATOM 344 C4 A A 14 5.047 -8.242 2.395 1.00 0.00 C ATOM 0 H5' A A 14 6.544 -8.204 8.346 1.00 0.00 H new ATOM 0 H5'' A A 14 8.097 -7.542 7.875 1.00 0.00 H new ATOM 0 H4' A A 14 7.792 -9.716 7.033 1.00 0.00 H new ATOM 0 H3' A A 14 8.044 -7.563 4.917 1.00 0.00 H new ATOM 0 H2' A A 14 7.788 -9.238 3.143 1.00 0.00 H new ATOM 0 HO2' A A 14 7.596 -11.425 3.483 1.00 0.00 H new ATOM 0 H1' A A 14 5.524 -10.418 4.116 1.00 0.00 H new ATOM 0 H8 A A 14 4.818 -7.080 5.392 1.00 0.00 H new ATOM 0 H61 A A 14 3.002 -5.043 0.015 1.00 0.00 H new ATOM 0 H62 A A 14 3.120 -4.842 1.766 1.00 0.00 H new ATOM 0 H2 A A 14 5.134 -9.154 -0.665 1.00 0.00 H new ATOM 356 P G A 15 10.603 -7.895 4.663 1.00 0.00 P ATOM 357 OP1 G A 15 11.937 -8.227 5.218 1.00 0.00 O ATOM 358 OP2 G A 15 10.206 -6.469 4.716 1.00 0.00 O ATOM 359 O5' G A 15 10.531 -8.376 3.144 1.00 0.00 O ATOM 360 C5' G A 15 10.851 -9.717 2.785 1.00 0.00 C ATOM 361 C4' G A 15 10.294 -10.132 1.400 1.00 0.00 C ATOM 362 O4' G A 15 8.864 -9.864 1.226 1.00 0.00 O ATOM 363 C3' G A 15 10.976 -9.480 0.202 1.00 0.00 C ATOM 364 O3' G A 15 12.152 -10.204 -0.160 1.00 0.00 O ATOM 365 C2' G A 15 9.884 -9.504 -0.873 1.00 0.00 C ATOM 366 O2' G A 15 9.795 -10.741 -1.586 1.00 0.00 O ATOM 367 C1' G A 15 8.615 -9.254 -0.051 1.00 0.00 C ATOM 368 N9 G A 15 8.195 -7.819 0.124 1.00 0.00 N ATOM 369 C8 G A 15 8.145 -7.095 1.275 1.00 0.00 C ATOM 370 N7 G A 15 7.749 -5.855 1.141 1.00 0.00 N ATOM 371 C5 G A 15 7.509 -5.719 -0.198 1.00 0.00 C ATOM 372 C6 G A 15 7.064 -4.582 -0.887 1.00 0.00 C ATOM 373 O6 G A 15 6.827 -3.484 -0.372 1.00 0.00 O ATOM 374 N1 G A 15 6.930 -4.839 -2.283 1.00 0.00 N ATOM 375 C2 G A 15 7.204 -6.063 -2.927 1.00 0.00 C ATOM 376 N2 G A 15 6.989 -6.010 -4.271 1.00 0.00 N ATOM 377 N3 G A 15 7.637 -7.141 -2.215 1.00 0.00 N ATOM 378 C4 G A 15 7.769 -6.914 -0.878 1.00 0.00 C ATOM 0 H5' G A 15 10.457 -10.393 3.544 1.00 0.00 H new ATOM 0 H5'' G A 15 11.934 -9.836 2.783 1.00 0.00 H new ATOM 0 H4' G A 15 10.500 -11.202 1.413 1.00 0.00 H new ATOM 0 H3' G A 15 11.334 -8.467 0.383 1.00 0.00 H new ATOM 0 H2' G A 15 10.073 -8.774 -1.660 1.00 0.00 H new ATOM 0 HO2' G A 15 10.604 -11.270 -1.425 1.00 0.00 H new ATOM 0 H1' G A 15 7.773 -9.680 -0.597 1.00 0.00 H new ATOM 0 H8 G A 15 8.414 -7.515 2.233 1.00 0.00 H new ATOM 0 H1 G A 15 6.607 -4.068 -2.868 1.00 0.00 H new ATOM 0 H21 G A 15 7.153 -6.836 -4.847 1.00 0.00 H new ATOM 0 H22 G A 15 6.664 -5.144 -4.702 1.00 0.00 H new ATOM 390 P C A 16 13.549 -9.509 -0.449 1.00 0.00 P ATOM 391 OP1 C A 16 14.578 -10.566 -0.591 1.00 0.00 O ATOM 392 OP2 C A 16 13.807 -8.465 0.571 1.00 0.00 O ATOM 393 O5' C A 16 13.313 -8.798 -1.846 1.00 0.00 O ATOM 394 C5' C A 16 13.149 -9.542 -3.050 1.00 0.00 C ATOM 395 C4' C A 16 12.588 -8.682 -4.207 1.00 0.00 C ATOM 396 O4' C A 16 11.209 -8.234 -3.941 1.00 0.00 O ATOM 397 C3' C A 16 13.358 -7.383 -4.472 1.00 0.00 C ATOM 398 O3' C A 16 14.545 -7.602 -5.234 1.00 0.00 O ATOM 399 C2' C A 16 12.306 -6.526 -5.171 1.00 0.00 C ATOM 400 O2' C A 16 12.129 -6.817 -6.557 1.00 0.00 O ATOM 401 C1' C A 16 11.050 -6.852 -4.336 1.00 0.00 C ATOM 402 N1 C A 16 10.790 -5.937 -3.148 1.00 0.00 N ATOM 403 C2 C A 16 10.328 -4.590 -3.405 1.00 0.00 C ATOM 404 O2 C A 16 10.128 -4.157 -4.556 1.00 0.00 O ATOM 405 N3 C A 16 10.104 -3.761 -2.325 1.00 0.00 N ATOM 406 C4 C A 16 10.302 -4.169 -1.045 1.00 0.00 C ATOM 407 N4 C A 16 10.081 -3.340 0.015 1.00 0.00 N ATOM 408 C5 C A 16 10.759 -5.507 -0.783 1.00 0.00 C ATOM 409 C6 C A 16 10.980 -6.327 -1.822 1.00 0.00 C ATOM 0 H5' C A 16 12.477 -10.381 -2.866 1.00 0.00 H new ATOM 0 H5'' C A 16 14.110 -9.962 -3.347 1.00 0.00 H new ATOM 0 H4' C A 16 12.668 -9.355 -5.061 1.00 0.00 H new ATOM 0 H3' C A 16 13.752 -6.903 -3.576 1.00 0.00 H new ATOM 0 H2' C A 16 12.575 -5.470 -5.201 1.00 0.00 H new ATOM 0 HO2' C A 16 12.928 -7.268 -6.901 1.00 0.00 H new ATOM 0 H1' C A 16 10.160 -6.683 -4.942 1.00 0.00 H new ATOM 0 H41 C A 16 10.238 -3.675 0.966 1.00 0.00 H new ATOM 0 H42 C A 16 9.758 -2.385 -0.143 1.00 0.00 H new ATOM 0 H5 C A 16 10.921 -5.845 0.230 1.00 0.00 H new ATOM 0 H6 C A 16 11.320 -7.333 -1.623 1.00 0.00 H new ATOM 421 P G A 17 15.860 -6.720 -5.044 1.00 0.00 P ATOM 422 OP1 G A 17 16.978 -7.398 -5.742 1.00 0.00 O ATOM 423 OP2 G A 17 16.066 -6.425 -3.607 1.00 0.00 O ATOM 424 O5' G A 17 15.506 -5.356 -5.792 1.00 0.00 O ATOM 425 C5' G A 17 15.373 -5.342 -7.214 1.00 0.00 C ATOM 426 C4' G A 17 14.708 -4.051 -7.742 1.00 0.00 C ATOM 427 O4' G A 17 13.422 -3.796 -7.080 1.00 0.00 O ATOM 428 C3' G A 17 15.508 -2.762 -7.519 1.00 0.00 C ATOM 429 O3' G A 17 16.527 -2.584 -8.505 1.00 0.00 O ATOM 430 C2' G A 17 14.421 -1.686 -7.582 1.00 0.00 C ATOM 431 O2' G A 17 14.026 -1.347 -8.914 1.00 0.00 O ATOM 432 C1' G A 17 13.266 -2.385 -6.837 1.00 0.00 C ATOM 433 N9 G A 17 13.055 -2.077 -5.383 1.00 0.00 N ATOM 434 C8 G A 17 13.102 -2.900 -4.290 1.00 0.00 C ATOM 435 N7 G A 17 12.840 -2.321 -3.148 1.00 0.00 N ATOM 436 C5 G A 17 12.596 -1.020 -3.473 1.00 0.00 C ATOM 437 C6 G A 17 12.262 0.035 -2.617 1.00 0.00 C ATOM 438 O6 G A 17 12.126 -0.052 -1.390 1.00 0.00 O ATOM 439 N1 G A 17 12.086 1.247 -3.337 1.00 0.00 N ATOM 440 C2 G A 17 12.219 1.416 -4.729 1.00 0.00 C ATOM 441 N2 G A 17 11.994 2.693 -5.139 1.00 0.00 N ATOM 442 N3 G A 17 12.544 0.360 -5.521 1.00 0.00 N ATOM 443 C4 G A 17 12.718 -0.814 -4.851 1.00 0.00 C ATOM 0 H5' G A 17 14.783 -6.203 -7.527 1.00 0.00 H new ATOM 0 H5'' G A 17 16.358 -5.449 -7.667 1.00 0.00 H new ATOM 0 H4' G A 17 14.621 -4.254 -8.809 1.00 0.00 H new ATOM 0 H3' G A 17 16.063 -2.748 -6.581 1.00 0.00 H new ATOM 0 H2' G A 17 14.747 -0.735 -7.161 1.00 0.00 H new ATOM 0 HO2' G A 17 14.768 -1.521 -9.530 1.00 0.00 H new ATOM 0 H1' G A 17 12.343 -1.972 -7.245 1.00 0.00 H new ATOM 0 H8 G A 17 13.338 -3.951 -4.366 1.00 0.00 H new ATOM 0 H1 G A 17 11.840 2.074 -2.794 1.00 0.00 H new ATOM 0 H21 G A 17 12.063 2.931 -6.129 1.00 0.00 H new ATOM 0 H22 G A 17 11.756 3.413 -4.457 1.00 0.00 H new ATOM 455 P C A 18 17.942 -1.945 -8.152 1.00 0.00 P ATOM 456 OP1 C A 18 18.785 -1.970 -9.371 1.00 0.00 O ATOM 457 OP2 C A 18 18.496 -2.615 -6.953 1.00 0.00 O ATOM 458 O5' C A 18 17.591 -0.444 -7.767 1.00 0.00 O ATOM 459 C5' C A 18 17.205 0.524 -8.741 1.00 0.00 C ATOM 460 C4' C A 18 16.825 1.886 -8.106 1.00 0.00 C ATOM 461 O4' C A 18 15.640 1.768 -7.255 1.00 0.00 O ATOM 462 C3' C A 18 17.899 2.491 -7.208 1.00 0.00 C ATOM 463 O3' C A 18 18.842 3.273 -7.938 1.00 0.00 O ATOM 464 C2' C A 18 17.139 3.265 -6.131 1.00 0.00 C ATOM 465 O2' C A 18 16.936 4.648 -6.419 1.00 0.00 O ATOM 466 C1' C A 18 15.791 2.532 -6.039 1.00 0.00 C ATOM 467 N1 C A 18 15.656 1.707 -4.798 1.00 0.00 N ATOM 468 C2 C A 18 15.403 2.348 -3.521 1.00 0.00 C ATOM 469 O2 C A 18 15.286 3.583 -3.402 1.00 0.00 O ATOM 470 N3 C A 18 15.288 1.545 -2.404 1.00 0.00 N ATOM 471 C4 C A 18 15.408 0.191 -2.489 1.00 0.00 C ATOM 472 N4 C A 18 15.297 -0.617 -1.397 1.00 0.00 N ATOM 473 C5 C A 18 15.658 -0.422 -3.770 1.00 0.00 C ATOM 474 C6 C A 18 15.771 0.347 -4.847 1.00 0.00 C ATOM 0 H5' C A 18 16.357 0.143 -9.311 1.00 0.00 H new ATOM 0 H5'' C A 18 18.023 0.671 -9.446 1.00 0.00 H new ATOM 0 H4' C A 18 16.666 2.527 -8.973 1.00 0.00 H new ATOM 0 H3' C A 18 18.526 1.727 -6.748 1.00 0.00 H new ATOM 0 H2' C A 18 17.711 3.281 -5.203 1.00 0.00 H new ATOM 0 HO2' C A 18 17.509 4.914 -7.169 1.00 0.00 H new ATOM 0 HO3' C A 18 19.509 3.641 -7.321 1.00 0.00 H new ATOM 0 H1' C A 18 14.977 3.252 -5.952 1.00 0.00 H new ATOM 0 H41 C A 18 15.393 -1.627 -1.498 1.00 0.00 H new ATOM 0 H42 C A 18 15.118 -0.211 -0.478 1.00 0.00 H new ATOM 0 H5 C A 18 15.752 -1.495 -3.853 1.00 0.00 H new ATOM 0 H6 C A 18 15.962 -0.122 -5.801 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.130 2.240 5.553 1.00 0.00 N ATOM 489 CA ASN B 1 9.362 1.953 4.307 1.00 0.00 C ATOM 490 C ASN B 1 8.183 2.902 4.146 1.00 0.00 C ATOM 491 O ASN B 1 7.578 3.339 5.132 1.00 0.00 O ATOM 492 CB ASN B 1 8.898 0.455 4.311 1.00 0.00 C ATOM 493 CG ASN B 1 8.421 -0.026 2.922 1.00 0.00 C ATOM 494 OD1 ASN B 1 7.269 0.178 2.524 1.00 0.00 O ATOM 495 ND2 ASN B 1 9.347 -0.683 2.166 1.00 0.00 N ATOM 0 H1 ASN B 1 10.964 1.621 5.597 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.436 3.234 5.551 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.526 2.066 6.381 1.00 0.00 H new ATOM 0 HA ASN B 1 10.013 2.116 3.449 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.722 -0.175 4.646 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.089 0.332 5.031 1.00 0.00 H new ATOM 0 HD21 ASN B 1 9.098 -1.025 1.238 1.00 0.00 H new ATOM 0 HD22 ASN B 1 10.288 -0.832 2.529 1.00 0.00 H new ATOM 503 N ALA B 2 7.835 3.222 2.863 1.00 0.00 N ATOM 504 CA ALA B 2 6.727 4.089 2.484 1.00 0.00 C ATOM 505 C ALA B 2 5.363 3.383 2.383 1.00 0.00 C ATOM 506 O ALA B 2 4.462 3.855 1.681 1.00 0.00 O ATOM 507 CB ALA B 2 7.044 4.865 1.189 1.00 0.00 C ATOM 0 H ALA B 2 8.346 2.862 2.057 1.00 0.00 H new ATOM 0 HA ALA B 2 6.625 4.794 3.309 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.199 5.503 0.931 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.931 5.481 1.341 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.227 4.160 0.378 1.00 0.00 H new ATOM 513 N LYS B 3 5.185 2.247 3.123 1.00 0.00 N ATOM 514 CA LYS B 3 4.012 1.395 3.248 1.00 0.00 C ATOM 515 C LYS B 3 2.706 2.181 3.411 1.00 0.00 C ATOM 516 O LYS B 3 1.765 1.929 2.659 1.00 0.00 O ATOM 517 CB LYS B 3 4.190 0.369 4.423 1.00 0.00 C ATOM 518 CG LYS B 3 3.342 -0.933 4.375 1.00 0.00 C ATOM 519 CD LYS B 3 3.724 -1.990 3.303 1.00 0.00 C ATOM 520 CE LYS B 3 5.140 -2.594 3.433 1.00 0.00 C ATOM 521 NZ LYS B 3 5.373 -3.641 2.417 1.00 0.00 N ATOM 0 H LYS B 3 5.950 1.890 3.695 1.00 0.00 H new ATOM 0 HA LYS B 3 3.929 0.851 2.307 1.00 0.00 H new ATOM 0 HB2 LYS B 3 5.241 0.084 4.464 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.963 0.884 5.356 1.00 0.00 H new ATOM 0 HG2 LYS B 3 3.398 -1.409 5.354 1.00 0.00 H new ATOM 0 HG3 LYS B 3 2.301 -0.652 4.217 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.998 -2.802 3.344 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.634 -1.531 2.318 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.885 -1.806 3.324 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.267 -3.017 4.430 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.393 -3.728 2.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.004 -4.550 2.764 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 4.885 -3.384 1.535 1.00 0.00 H new ATOM 535 N THR B 4 2.644 3.163 4.368 1.00 0.00 N ATOM 536 CA THR B 4 1.494 4.024 4.668 1.00 0.00 C ATOM 537 C THR B 4 1.283 5.135 3.647 1.00 0.00 C ATOM 538 O THR B 4 0.126 5.394 3.308 1.00 0.00 O ATOM 539 CB THR B 4 1.428 4.603 6.098 1.00 0.00 C ATOM 540 OG1 THR B 4 2.674 5.144 6.528 1.00 0.00 O ATOM 541 CG2 THR B 4 0.926 3.527 7.098 1.00 0.00 C ATOM 0 H THR B 4 3.442 3.369 4.968 1.00 0.00 H new ATOM 0 HA THR B 4 0.669 3.315 4.597 1.00 0.00 H new ATOM 0 HB THR B 4 0.716 5.428 6.074 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.580 5.499 7.437 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.886 3.953 8.101 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.070 3.194 6.805 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.609 2.678 7.092 1.00 0.00 H new ATOM 549 N ARG B 5 2.360 5.803 3.122 1.00 0.00 N ATOM 550 CA ARG B 5 2.284 6.865 2.119 1.00 0.00 C ATOM 551 C ARG B 5 1.559 6.370 0.855 1.00 0.00 C ATOM 552 O ARG B 5 0.578 6.998 0.443 1.00 0.00 O ATOM 553 CB ARG B 5 3.667 7.529 1.831 1.00 0.00 C ATOM 554 CG ARG B 5 3.663 8.766 0.894 1.00 0.00 C ATOM 555 CD ARG B 5 2.802 9.968 1.330 1.00 0.00 C ATOM 556 NE ARG B 5 2.922 11.030 0.266 1.00 0.00 N ATOM 557 CZ ARG B 5 2.045 12.065 0.053 1.00 0.00 C ATOM 558 NH1 ARG B 5 0.892 12.236 0.767 1.00 0.00 N ATOM 559 NH2 ARG B 5 2.341 12.969 -0.932 1.00 0.00 N ATOM 0 H ARG B 5 3.318 5.596 3.406 1.00 0.00 H new ATOM 0 HA ARG B 5 1.679 7.671 2.534 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.108 7.824 2.783 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.323 6.775 1.396 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.691 9.109 0.780 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.323 8.445 -0.091 1.00 0.00 H new ATOM 0 HD2 ARG B 5 1.762 9.668 1.455 1.00 0.00 H new ATOM 0 HD3 ARG B 5 3.140 10.351 2.293 1.00 0.00 H new ATOM 0 HE ARG B 5 3.730 10.974 -0.354 1.00 0.00 H new ATOM 0 HH11 ARG B 5 0.645 11.575 1.503 1.00 0.00 H new ATOM 0 HH12 ARG B 5 0.279 13.025 0.564 1.00 0.00 H new ATOM 0 HH21 ARG B 5 3.193 12.862 -1.483 1.00 0.00 H new ATOM 0 HH22 ARG B 5 1.710 13.749 -1.115 1.00 0.00 H new ATOM 573 N ARG B 6 1.994 5.208 0.263 1.00 0.00 N ATOM 574 CA ARG B 6 1.364 4.557 -0.887 1.00 0.00 C ATOM 575 C ARG B 6 -0.060 4.097 -0.544 1.00 0.00 C ATOM 576 O ARG B 6 -0.981 4.360 -1.322 1.00 0.00 O ATOM 577 CB ARG B 6 2.175 3.385 -1.534 1.00 0.00 C ATOM 578 CG ARG B 6 2.492 2.156 -0.641 1.00 0.00 C ATOM 579 CD ARG B 6 3.130 0.963 -1.364 1.00 0.00 C ATOM 580 NE ARG B 6 2.086 0.065 -1.988 1.00 0.00 N ATOM 581 CZ ARG B 6 1.775 -0.021 -3.322 1.00 0.00 C ATOM 582 NH1 ARG B 6 2.182 0.911 -4.229 1.00 0.00 N ATOM 583 NH2 ARG B 6 1.060 -1.106 -3.766 1.00 0.00 N ATOM 0 H ARG B 6 2.815 4.704 0.599 1.00 0.00 H new ATOM 0 HA ARG B 6 1.337 5.333 -1.652 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.622 3.034 -2.406 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.120 3.790 -1.897 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.160 2.473 0.160 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.567 1.822 -0.171 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.807 1.326 -2.137 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.730 0.388 -0.659 1.00 0.00 H new ATOM 0 HE ARG B 6 1.560 -0.537 -1.354 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.739 1.709 -3.925 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.929 0.810 -5.212 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.770 -1.830 -3.108 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.819 -1.188 -4.754 1.00 0.00 H new ATOM 597 N HIS B 7 -0.253 3.416 0.638 1.00 0.00 N ATOM 598 CA HIS B 7 -1.497 2.906 1.182 1.00 0.00 C ATOM 599 C HIS B 7 -2.578 3.967 1.186 1.00 0.00 C ATOM 600 O HIS B 7 -3.614 3.702 0.604 1.00 0.00 O ATOM 601 CB HIS B 7 -1.358 2.284 2.601 1.00 0.00 C ATOM 602 CG HIS B 7 -2.653 1.823 3.216 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.006 0.510 3.335 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.669 2.555 3.727 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.200 0.452 3.904 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.621 1.679 4.161 1.00 0.00 N ATOM 0 H HIS B 7 0.533 3.212 1.255 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.787 2.096 0.512 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.676 1.436 2.546 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.899 3.020 3.262 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.718 3.633 3.781 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.744 -0.455 4.124 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.504 1.928 4.606 1.00 0.00 H new ATOM 615 N GLU B 8 -2.378 5.168 1.812 1.00 0.00 N ATOM 616 CA GLU B 8 -3.304 6.295 1.904 1.00 0.00 C ATOM 617 C GLU B 8 -4.052 6.574 0.587 1.00 0.00 C ATOM 618 O GLU B 8 -5.284 6.535 0.572 1.00 0.00 O ATOM 619 CB GLU B 8 -2.573 7.558 2.459 1.00 0.00 C ATOM 620 CG GLU B 8 -3.492 8.703 2.946 1.00 0.00 C ATOM 621 CD GLU B 8 -2.673 9.846 3.559 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.835 10.452 2.837 1.00 0.00 O ATOM 623 OE2 GLU B 8 -2.886 10.134 4.768 1.00 0.00 O ATOM 0 H GLU B 8 -1.500 5.366 2.291 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.083 6.018 2.615 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.935 7.251 3.288 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -1.918 7.948 1.680 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -4.081 9.081 2.110 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -4.196 8.319 3.684 1.00 0.00 H new ATOM 630 N ARG B 9 -3.314 6.816 -0.541 1.00 0.00 N ATOM 631 CA ARG B 9 -3.827 7.063 -1.890 1.00 0.00 C ATOM 632 C ARG B 9 -4.620 5.856 -2.413 1.00 0.00 C ATOM 633 O ARG B 9 -5.788 6.008 -2.770 1.00 0.00 O ATOM 634 CB ARG B 9 -2.711 7.460 -2.913 1.00 0.00 C ATOM 635 CG ARG B 9 -1.899 8.736 -2.561 1.00 0.00 C ATOM 636 CD ARG B 9 -0.785 9.128 -3.557 1.00 0.00 C ATOM 637 NE ARG B 9 0.311 8.079 -3.569 1.00 0.00 N ATOM 638 CZ ARG B 9 1.625 8.265 -3.216 1.00 0.00 C ATOM 639 NH1 ARG B 9 2.109 9.444 -2.731 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.491 7.217 -3.372 1.00 0.00 N ATOM 0 H ARG B 9 -2.295 6.841 -0.511 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.495 7.919 -1.801 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.017 6.625 -3.008 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.173 7.603 -3.890 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.593 9.572 -2.476 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -1.448 8.595 -1.579 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.205 9.235 -4.557 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -0.367 10.096 -3.281 1.00 0.00 H new ATOM 0 HE ARG B 9 0.045 7.141 -3.869 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.485 10.242 -2.615 1.00 0.00 H new ATOM 0 HH12 ARG B 9 3.095 9.527 -2.484 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.154 6.328 -3.742 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.473 7.325 -3.119 1.00 0.00 H new ATOM 654 N ARG B 10 -4.008 4.628 -2.440 1.00 0.00 N ATOM 655 CA ARG B 10 -4.574 3.344 -2.856 1.00 0.00 C ATOM 656 C ARG B 10 -5.872 3.015 -2.096 1.00 0.00 C ATOM 657 O ARG B 10 -6.857 2.655 -2.737 1.00 0.00 O ATOM 658 CB ARG B 10 -3.482 2.234 -2.685 1.00 0.00 C ATOM 659 CG ARG B 10 -3.861 0.747 -2.906 1.00 0.00 C ATOM 660 CD ARG B 10 -2.656 -0.195 -2.696 1.00 0.00 C ATOM 661 NE ARG B 10 -3.106 -1.636 -2.587 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.657 -2.534 -1.657 1.00 0.00 C ATOM 663 NH1 ARG B 10 -1.980 -2.166 -0.531 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.879 -3.862 -1.886 1.00 0.00 N ATOM 0 H ARG B 10 -3.037 4.526 -2.146 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.859 3.397 -3.907 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.668 2.469 -3.371 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.083 2.322 -1.675 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.661 0.471 -2.219 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.250 0.618 -3.916 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.959 -0.090 -3.527 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -2.119 0.091 -1.792 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.799 -1.964 -3.260 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -1.787 -1.181 -0.351 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.667 -2.876 0.131 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.367 -4.159 -2.731 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.557 -4.557 -1.212 1.00 0.00 H new ATOM 678 N ARG B 11 -5.903 3.164 -0.733 1.00 0.00 N ATOM 679 CA ARG B 11 -6.978 2.988 0.224 1.00 0.00 C ATOM 680 C ARG B 11 -8.195 3.749 -0.278 1.00 0.00 C ATOM 681 O ARG B 11 -9.205 3.097 -0.513 1.00 0.00 O ATOM 682 CB ARG B 11 -6.541 3.395 1.656 1.00 0.00 C ATOM 683 CG ARG B 11 -7.571 3.159 2.773 1.00 0.00 C ATOM 684 CD ARG B 11 -7.600 4.239 3.851 1.00 0.00 C ATOM 685 NE ARG B 11 -8.661 3.823 4.840 1.00 0.00 N ATOM 686 CZ ARG B 11 -9.192 4.596 5.840 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.770 5.867 6.104 1.00 0.00 N ATOM 688 NH2 ARG B 11 -10.193 4.053 6.599 1.00 0.00 N ATOM 0 H ARG B 11 -5.052 3.447 -0.248 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.244 1.934 0.304 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.633 2.846 1.906 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.282 4.454 1.647 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.562 3.085 2.325 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.362 2.199 3.245 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.629 4.329 4.338 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.831 5.213 3.419 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.019 2.872 4.756 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -8.026 6.284 5.545 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -9.199 6.400 6.860 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.518 3.105 6.411 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.614 4.597 7.353 1.00 0.00 H new ATOM 702 N LYS B 12 -8.114 5.107 -0.494 1.00 0.00 N ATOM 703 CA LYS B 12 -9.162 5.986 -1.025 1.00 0.00 C ATOM 704 C LYS B 12 -9.928 5.329 -2.181 1.00 0.00 C ATOM 705 O LYS B 12 -11.147 5.171 -2.086 1.00 0.00 O ATOM 706 CB LYS B 12 -8.644 7.403 -1.440 1.00 0.00 C ATOM 707 CG LYS B 12 -8.170 8.306 -0.275 1.00 0.00 C ATOM 708 CD LYS B 12 -7.494 9.626 -0.724 1.00 0.00 C ATOM 709 CE LYS B 12 -6.951 10.522 0.410 1.00 0.00 C ATOM 710 NZ LYS B 12 -8.035 11.120 1.230 1.00 0.00 N ATOM 0 H LYS B 12 -7.260 5.623 -0.283 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.852 6.140 -0.195 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.817 7.278 -2.140 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.440 7.919 -1.976 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.027 8.546 0.354 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.469 7.744 0.342 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.670 9.381 -1.394 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.215 10.203 -1.304 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.297 9.933 1.052 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.343 11.318 -0.020 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -7.619 11.712 1.977 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -8.646 11.705 0.625 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -8.600 10.362 1.664 1.00 0.00 H new ATOM 724 N LEU B 13 -9.209 4.888 -3.258 1.00 0.00 N ATOM 725 CA LEU B 13 -9.741 4.195 -4.426 1.00 0.00 C ATOM 726 C LEU B 13 -10.343 2.847 -4.093 1.00 0.00 C ATOM 727 O LEU B 13 -11.506 2.624 -4.420 1.00 0.00 O ATOM 728 CB LEU B 13 -8.777 4.092 -5.621 1.00 0.00 C ATOM 729 CG LEU B 13 -8.416 5.459 -6.283 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.575 6.501 -6.392 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.101 6.057 -5.721 1.00 0.00 C ATOM 0 H LEU B 13 -8.200 5.023 -3.317 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.547 4.850 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.858 3.610 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.222 3.444 -6.376 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.234 5.201 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.204 7.409 -6.868 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.385 6.083 -6.990 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.945 6.739 -5.395 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.894 7.007 -6.213 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.204 6.219 -4.648 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.279 5.366 -5.906 1.00 0.00 H new ATOM 743 N ALA B 14 -9.583 1.941 -3.408 1.00 0.00 N ATOM 744 CA ALA B 14 -9.982 0.615 -2.956 1.00 0.00 C ATOM 745 C ALA B 14 -11.312 0.647 -2.234 1.00 0.00 C ATOM 746 O ALA B 14 -12.193 -0.154 -2.567 1.00 0.00 O ATOM 747 CB ALA B 14 -8.964 -0.044 -2.006 1.00 0.00 C ATOM 0 H ALA B 14 -8.619 2.152 -3.152 1.00 0.00 H new ATOM 0 HA ALA B 14 -10.048 0.027 -3.871 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.327 -1.028 -1.710 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -8.006 -0.148 -2.515 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.838 0.578 -1.120 1.00 0.00 H new ATOM 753 N ILE B 15 -11.488 1.608 -1.260 1.00 0.00 N ATOM 754 CA ILE B 15 -12.715 1.795 -0.524 1.00 0.00 C ATOM 755 C ILE B 15 -13.826 2.143 -1.514 1.00 0.00 C ATOM 756 O ILE B 15 -14.825 1.424 -1.568 1.00 0.00 O ATOM 757 CB ILE B 15 -12.810 2.788 0.668 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.576 2.920 1.612 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.070 2.365 1.462 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.074 4.356 1.643 1.00 0.00 C ATOM 0 H ILE B 15 -10.752 2.261 -0.990 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.796 0.835 -0.015 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.857 3.790 0.242 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.847 2.602 2.619 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.779 2.258 1.272 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.198 3.025 2.320 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.946 2.433 0.817 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.954 1.338 1.809 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.213 4.426 2.307 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.783 4.661 0.638 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.866 5.011 2.006 1.00 0.00 H new ATOM 772 N GLU B 16 -13.648 3.268 -2.280 1.00 0.00 N ATOM 773 CA GLU B 16 -14.574 3.835 -3.240 1.00 0.00 C ATOM 774 C GLU B 16 -15.168 2.803 -4.233 1.00 0.00 C ATOM 775 O GLU B 16 -16.359 2.887 -4.541 1.00 0.00 O ATOM 776 CB GLU B 16 -13.928 5.058 -3.995 1.00 0.00 C ATOM 777 CG GLU B 16 -14.906 5.961 -4.785 1.00 0.00 C ATOM 778 CD GLU B 16 -14.155 7.122 -5.449 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.699 8.042 -4.718 1.00 0.00 O ATOM 780 OE2 GLU B 16 -14.039 7.106 -6.705 1.00 0.00 O ATOM 0 H GLU B 16 -12.790 3.815 -2.217 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.423 4.193 -2.657 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.404 5.675 -3.265 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -13.177 4.677 -4.687 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.420 5.372 -5.545 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.671 6.352 -4.114 1.00 0.00 H new ATOM 787 N ARG B 17 -14.357 1.809 -4.724 1.00 0.00 N ATOM 788 CA ARG B 17 -14.725 0.707 -5.621 1.00 0.00 C ATOM 789 C ARG B 17 -15.856 -0.132 -5.010 1.00 0.00 C ATOM 790 O ARG B 17 -16.924 -0.257 -5.615 1.00 0.00 O ATOM 791 CB ARG B 17 -13.531 -0.239 -6.004 1.00 0.00 C ATOM 792 CG ARG B 17 -12.364 0.397 -6.796 1.00 0.00 C ATOM 793 CD ARG B 17 -11.127 -0.511 -6.941 1.00 0.00 C ATOM 794 NE ARG B 17 -9.991 0.305 -7.518 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.696 0.331 -7.062 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.254 -0.432 -6.019 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.803 1.161 -7.685 1.00 0.00 N ATOM 0 H ARG B 17 -13.368 1.773 -4.475 1.00 0.00 H new ATOM 0 HA ARG B 17 -15.055 1.186 -6.543 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.126 -0.664 -5.086 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.928 -1.067 -6.591 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.720 0.668 -7.790 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -12.066 1.321 -6.301 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.843 -0.921 -5.972 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -11.353 -1.356 -7.591 1.00 0.00 H new ATOM 0 HE ARG B 17 -10.208 0.892 -8.323 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.898 -1.060 -5.538 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.280 -0.373 -5.721 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -8.106 1.741 -8.468 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.835 1.200 -7.366 1.00 0.00 H new ATOM 811 N ASP B 18 -15.619 -0.697 -3.787 1.00 0.00 N ATOM 812 CA ASP B 18 -16.504 -1.518 -2.965 1.00 0.00 C ATOM 813 C ASP B 18 -17.819 -0.798 -2.635 1.00 0.00 C ATOM 814 O ASP B 18 -18.897 -1.310 -2.942 1.00 0.00 O ATOM 815 CB ASP B 18 -15.764 -2.022 -1.676 1.00 0.00 C ATOM 816 CG ASP B 18 -16.590 -3.030 -0.864 1.00 0.00 C ATOM 817 OD1 ASP B 18 -16.836 -4.154 -1.376 1.00 0.00 O ATOM 818 OD2 ASP B 18 -16.976 -2.682 0.284 1.00 0.00 O ATOM 0 H ASP B 18 -14.717 -0.565 -3.329 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.777 -2.396 -3.550 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.819 -2.483 -1.963 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.522 -1.167 -1.045 1.00 0.00 H new ATOM 823 N THR B 19 -17.713 0.413 -2.024 1.00 0.00 N ATOM 824 CA THR B 19 -18.748 1.361 -1.608 1.00 0.00 C ATOM 825 C THR B 19 -19.690 1.689 -2.792 1.00 0.00 C ATOM 826 O THR B 19 -20.913 1.419 -2.647 1.00 0.00 O ATOM 827 CB THR B 19 -18.174 2.670 -1.027 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.090 3.119 -1.773 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.717 2.540 0.436 1.00 0.00 C ATOM 830 OXT THR B 19 -19.213 2.200 -3.843 1.00 0.00 O ATOM 0 H THR B 19 -16.789 0.776 -1.791 1.00 0.00 H new ATOM 0 HA THR B 19 -19.306 0.871 -0.810 1.00 0.00 H new ATOM 0 HB THR B 19 -18.997 3.383 -1.071 1.00 0.00 H new ATOM 0 HG1 THR B 19 -16.310 2.554 -1.590 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.324 3.497 0.781 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.564 2.250 1.057 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.938 1.781 0.508 1.00 0.00 H new TER 838 THR B 19