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 66:sc= -0.0172 USER MOD Set 1.2: B 7 HIS :FLIP no HE2:sc= -1.07 F(o=-2.6,f=-1.1) USER MOD Single : A 4 G O2' : rot 180:sc= 0 USER MOD Single : A 4 G O5' : rot 20:sc= 0.0589 USER MOD Single : A 5 C O2' : rot -27:sc= 0.0334 USER MOD Single : A 6 G O2' : rot -18:sc= 0.0883 USER MOD Single : A 7 C O2' : rot -121:sc= 1.02 USER MOD Single : A 8 U O2' : rot -16:sc= 0.044 USER MOD Single : A 9 G O2' : rot 175:sc= 0.928 USER MOD Single : A 10 A O2' : rot -66:sc= 0.35 USER MOD Single : A 12 A O2' : rot -117:sc= 0.0916 USER MOD Single : A 13 A O2' : rot -21:sc= 0.0128 USER MOD Single : A 14 A O2' : rot -65:sc= 0.0509 USER MOD Single : A 15 G O2' : rot -11:sc= 0.0688 USER MOD Single : A 16 C O2' : rot -20:sc= 0.00697 USER MOD Single : A 17 G O2' : rot -20:sc= 0.0324 USER MOD Single : A 18 C O2' : rot -14:sc= 0.0499 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0575 USER MOD Single : B 1 ASN : amide:sc= -0.222 X(o=-0.22,f=0) USER MOD Single : B 1 ASN N :NH3+ 164:sc= 0.0045 (180deg=-0.0478) USER MOD Single : B 3 LYS NZ :NH3+ 142:sc= 0.309 (180deg=0.00514) USER MOD Single : B 4 THR OG1 : rot 180:sc= 0 USER MOD Single : B 12 LYS NZ :NH3+ -138:sc= 0.024 (180deg=0) USER MOD Single : B 19 THR OG1 : rot 23:sc= -0.518 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.034 7.427 7.417 1.00 0.00 O ATOM 2 C5' G A 4 11.090 6.574 6.992 1.00 0.00 C ATOM 3 C4' G A 4 11.680 7.087 5.669 1.00 0.00 C ATOM 4 O4' G A 4 12.778 6.235 5.235 1.00 0.00 O ATOM 5 C3' G A 4 10.713 7.034 4.483 1.00 0.00 C ATOM 6 O3' G A 4 9.799 8.138 4.434 1.00 0.00 O ATOM 7 C2' G A 4 11.653 6.978 3.285 1.00 0.00 C ATOM 8 O2' G A 4 11.946 8.229 2.662 1.00 0.00 O ATOM 9 C1' G A 4 12.918 6.327 3.807 1.00 0.00 C ATOM 10 N9 G A 4 13.212 5.013 3.183 1.00 0.00 N ATOM 11 C8 G A 4 13.161 3.803 3.765 1.00 0.00 C ATOM 12 N7 G A 4 13.475 2.798 2.988 1.00 0.00 N ATOM 13 C5 G A 4 13.758 3.383 1.781 1.00 0.00 C ATOM 14 C6 G A 4 14.151 2.770 0.584 1.00 0.00 C ATOM 15 O6 G A 4 14.315 1.555 0.430 1.00 0.00 O ATOM 16 N1 G A 4 14.348 3.728 -0.454 1.00 0.00 N ATOM 17 C2 G A 4 14.184 5.121 -0.338 1.00 0.00 C ATOM 18 N2 G A 4 14.438 5.778 -1.505 1.00 0.00 N ATOM 19 N3 G A 4 13.802 5.672 0.849 1.00 0.00 N ATOM 20 C4 G A 4 13.608 4.768 1.852 1.00 0.00 C ATOM 0 H5' G A 4 10.718 5.557 6.864 1.00 0.00 H new ATOM 0 H5'' G A 4 11.867 6.535 7.755 1.00 0.00 H new ATOM 0 H4' G A 4 11.962 8.115 5.897 1.00 0.00 H new ATOM 0 H3' G A 4 10.035 6.182 4.534 1.00 0.00 H new ATOM 0 H2' G A 4 11.165 6.421 2.485 1.00 0.00 H new ATOM 0 HO2' G A 4 12.556 8.084 1.908 1.00 0.00 H new ATOM 0 HO5' G A 4 9.709 7.951 6.655 1.00 0.00 H new ATOM 0 H1' G A 4 13.780 6.938 3.539 1.00 0.00 H new ATOM 0 H8 G A 4 12.881 3.670 4.800 1.00 0.00 H new ATOM 0 H1 G A 4 14.634 3.370 -1.365 1.00 0.00 H new ATOM 0 H21 G A 4 14.353 6.794 -1.547 1.00 0.00 H new ATOM 0 H22 G A 4 14.713 5.254 -2.336 1.00 0.00 H new ATOM 33 P C A 5 8.385 8.034 3.705 1.00 0.00 P ATOM 34 OP1 C A 5 7.646 9.293 3.964 1.00 0.00 O ATOM 35 OP2 C A 5 7.711 6.785 4.130 1.00 0.00 O ATOM 36 O5' C A 5 8.732 7.908 2.151 1.00 0.00 O ATOM 37 C5' C A 5 9.030 9.028 1.322 1.00 0.00 C ATOM 38 C4' C A 5 9.303 8.675 -0.176 1.00 0.00 C ATOM 39 O4' C A 5 10.582 7.982 -0.406 1.00 0.00 O ATOM 40 C3' C A 5 8.250 7.805 -0.868 1.00 0.00 C ATOM 41 O3' C A 5 7.106 8.565 -1.274 1.00 0.00 O ATOM 42 C2' C A 5 9.038 7.159 -2.020 1.00 0.00 C ATOM 43 O2' C A 5 9.105 7.977 -3.186 1.00 0.00 O ATOM 44 C1' C A 5 10.426 6.936 -1.405 1.00 0.00 C ATOM 45 N1 C A 5 10.607 5.569 -0.799 1.00 0.00 N ATOM 46 C2 C A 5 10.981 4.447 -1.626 1.00 0.00 C ATOM 47 O2 C A 5 11.158 4.551 -2.855 1.00 0.00 O ATOM 48 N3 C A 5 11.146 3.221 -1.014 1.00 0.00 N ATOM 49 C4 C A 5 10.969 3.053 0.325 1.00 0.00 C ATOM 50 N4 C A 5 11.119 1.831 0.916 1.00 0.00 N ATOM 51 C5 C A 5 10.601 4.184 1.140 1.00 0.00 C ATOM 52 C6 C A 5 10.434 5.368 0.546 1.00 0.00 C ATOM 0 H5' C A 5 9.903 9.540 1.726 1.00 0.00 H new ATOM 0 H5'' C A 5 8.198 9.731 1.370 1.00 0.00 H new ATOM 0 H4' C A 5 9.296 9.676 -0.607 1.00 0.00 H new ATOM 0 H3' C A 5 7.803 7.049 -0.222 1.00 0.00 H new ATOM 0 H2' C A 5 8.565 6.245 -2.378 1.00 0.00 H new ATOM 0 HO2' C A 5 8.322 8.565 -3.218 1.00 0.00 H new ATOM 0 H1' C A 5 11.190 6.985 -2.181 1.00 0.00 H new ATOM 0 H41 C A 5 10.981 1.730 1.922 1.00 0.00 H new ATOM 0 H42 C A 5 11.369 1.019 0.352 1.00 0.00 H new ATOM 0 H5 C A 5 10.464 4.076 2.206 1.00 0.00 H new ATOM 0 H6 C A 5 10.148 6.211 1.157 1.00 0.00 H new ATOM 64 P G A 6 5.733 7.867 -1.677 1.00 0.00 P ATOM 65 OP1 G A 6 4.686 8.910 -1.764 1.00 0.00 O ATOM 66 OP2 G A 6 5.468 6.728 -0.765 1.00 0.00 O ATOM 67 O5' G A 6 6.050 7.350 -3.149 1.00 0.00 O ATOM 68 C5' G A 6 5.652 6.053 -3.571 1.00 0.00 C ATOM 69 C4' G A 6 6.503 5.595 -4.771 1.00 0.00 C ATOM 70 O4' G A 6 7.811 5.114 -4.330 1.00 0.00 O ATOM 71 C3' G A 6 5.886 4.421 -5.521 1.00 0.00 C ATOM 72 O3' G A 6 5.098 4.899 -6.616 1.00 0.00 O ATOM 73 C2' G A 6 7.072 3.557 -5.968 1.00 0.00 C ATOM 74 O2' G A 6 7.641 3.967 -7.215 1.00 0.00 O ATOM 75 C1' G A 6 8.079 3.803 -4.841 1.00 0.00 C ATOM 76 N9 G A 6 8.221 2.809 -3.735 1.00 0.00 N ATOM 77 C8 G A 6 8.048 3.004 -2.400 1.00 0.00 C ATOM 78 N7 G A 6 8.305 1.967 -1.648 1.00 0.00 N ATOM 79 C5 G A 6 8.674 0.995 -2.531 1.00 0.00 C ATOM 80 C6 G A 6 9.056 -0.321 -2.256 1.00 0.00 C ATOM 81 O6 G A 6 9.134 -0.821 -1.129 1.00 0.00 O ATOM 82 N1 G A 6 9.363 -1.031 -3.450 1.00 0.00 N ATOM 83 C2 G A 6 9.306 -0.519 -4.760 1.00 0.00 C ATOM 84 N2 G A 6 9.638 -1.438 -5.708 1.00 0.00 N ATOM 85 N3 G A 6 8.934 0.771 -4.979 1.00 0.00 N ATOM 86 C4 G A 6 8.634 1.467 -3.846 1.00 0.00 C ATOM 0 H5' G A 6 4.597 6.061 -3.847 1.00 0.00 H new ATOM 0 H5'' G A 6 5.761 5.346 -2.748 1.00 0.00 H new ATOM 0 H4' G A 6 6.571 6.472 -5.414 1.00 0.00 H new ATOM 0 H3' G A 6 5.204 3.833 -4.908 1.00 0.00 H new ATOM 0 H2' G A 6 6.782 2.519 -6.128 1.00 0.00 H new ATOM 0 HO2' G A 6 7.001 4.531 -7.697 1.00 0.00 H new ATOM 0 H1' G A 6 9.055 3.687 -5.311 1.00 0.00 H new ATOM 0 H8 G A 6 7.721 3.949 -1.991 1.00 0.00 H new ATOM 0 H1 G A 6 9.652 -2.004 -3.347 1.00 0.00 H new ATOM 0 H21 G A 6 9.631 -1.178 -6.694 1.00 0.00 H new ATOM 0 H22 G A 6 9.893 -2.386 -5.432 1.00 0.00 H new ATOM 98 P C A 7 3.693 4.261 -6.969 1.00 0.00 P ATOM 99 OP1 C A 7 3.209 4.845 -8.243 1.00 0.00 O ATOM 100 OP2 C A 7 2.795 4.375 -5.796 1.00 0.00 O ATOM 101 O5' C A 7 4.064 2.745 -7.169 1.00 0.00 O ATOM 102 C5' C A 7 4.687 2.197 -8.324 1.00 0.00 C ATOM 103 C4' C A 7 4.854 0.657 -8.214 1.00 0.00 C ATOM 104 O4' C A 7 5.998 0.271 -7.380 1.00 0.00 O ATOM 105 C3' C A 7 3.660 -0.033 -7.557 1.00 0.00 C ATOM 106 O3' C A 7 2.606 -0.182 -8.508 1.00 0.00 O ATOM 107 C2' C A 7 4.247 -1.316 -6.987 1.00 0.00 C ATOM 108 O2' C A 7 4.206 -2.417 -7.894 1.00 0.00 O ATOM 109 C1' C A 7 5.713 -0.972 -6.691 1.00 0.00 C ATOM 110 N1 C A 7 5.891 -0.874 -5.218 1.00 0.00 N ATOM 111 C2 C A 7 6.227 -2.051 -4.444 1.00 0.00 C ATOM 112 O2 C A 7 6.451 -3.158 -4.969 1.00 0.00 O ATOM 113 N3 C A 7 6.295 -1.925 -3.070 1.00 0.00 N ATOM 114 C4 C A 7 6.056 -0.737 -2.454 1.00 0.00 C ATOM 115 N4 C A 7 6.107 -0.628 -1.093 1.00 0.00 N ATOM 116 C5 C A 7 5.730 0.420 -3.265 1.00 0.00 C ATOM 117 C6 C A 7 5.666 0.307 -4.575 1.00 0.00 C ATOM 0 H5' C A 7 5.664 2.659 -8.464 1.00 0.00 H new ATOM 0 H5'' C A 7 4.092 2.436 -9.206 1.00 0.00 H new ATOM 0 H4' C A 7 4.977 0.347 -9.252 1.00 0.00 H new ATOM 0 H3' C A 7 3.180 0.521 -6.750 1.00 0.00 H new ATOM 0 H2' C A 7 3.671 -1.631 -6.117 1.00 0.00 H new ATOM 0 HO2' C A 7 3.691 -3.150 -7.496 1.00 0.00 H new ATOM 0 H1' C A 7 6.409 -1.734 -7.042 1.00 0.00 H new ATOM 0 H41 C A 7 5.925 0.271 -0.646 1.00 0.00 H new ATOM 0 H42 C A 7 6.327 -1.445 -0.524 1.00 0.00 H new ATOM 0 H5 C A 7 5.540 1.373 -2.795 1.00 0.00 H new ATOM 0 H6 C A 7 5.427 1.182 -5.162 1.00 0.00 H new ATOM 129 P U A 8 1.108 -0.571 -8.194 1.00 0.00 P ATOM 130 OP1 U A 8 0.280 -0.214 -9.367 1.00 0.00 O ATOM 131 OP2 U A 8 0.708 0.010 -6.893 1.00 0.00 O ATOM 132 O5' U A 8 1.212 -2.154 -8.128 1.00 0.00 O ATOM 133 C5' U A 8 0.819 -2.910 -6.999 1.00 0.00 C ATOM 134 C4' U A 8 1.307 -4.372 -7.117 1.00 0.00 C ATOM 135 O4' U A 8 2.721 -4.530 -6.756 1.00 0.00 O ATOM 136 C3' U A 8 0.552 -5.313 -6.189 1.00 0.00 C ATOM 137 O3' U A 8 -0.575 -5.879 -6.871 1.00 0.00 O ATOM 138 C2' U A 8 1.613 -6.352 -5.767 1.00 0.00 C ATOM 139 O2' U A 8 1.757 -7.451 -6.670 1.00 0.00 O ATOM 140 C1' U A 8 2.899 -5.529 -5.732 1.00 0.00 C ATOM 141 N1 U A 8 3.218 -4.936 -4.380 1.00 0.00 N ATOM 142 C2 U A 8 3.556 -5.820 -3.291 1.00 0.00 C ATOM 143 O2 U A 8 3.619 -7.054 -3.366 1.00 0.00 O ATOM 144 N3 U A 8 3.829 -5.161 -2.067 1.00 0.00 N ATOM 145 C4 U A 8 3.799 -3.758 -1.834 1.00 0.00 C ATOM 146 O4 U A 8 4.052 -3.275 -0.729 1.00 0.00 O ATOM 147 C5 U A 8 3.451 -2.968 -2.995 1.00 0.00 C ATOM 148 C6 U A 8 3.186 -3.566 -4.170 1.00 0.00 C ATOM 0 H5' U A 8 -0.267 -2.891 -6.904 1.00 0.00 H new ATOM 0 H5'' U A 8 1.226 -2.458 -6.094 1.00 0.00 H new ATOM 0 H4' U A 8 1.137 -4.619 -8.165 1.00 0.00 H new ATOM 0 H3' U A 8 0.123 -4.828 -5.312 1.00 0.00 H new ATOM 0 H2' U A 8 1.340 -6.826 -4.824 1.00 0.00 H new ATOM 0 HO2' U A 8 0.982 -7.486 -7.269 1.00 0.00 H new ATOM 0 H1' U A 8 3.769 -6.159 -5.919 1.00 0.00 H new ATOM 0 H3 U A 8 4.072 -5.752 -1.272 1.00 0.00 H new ATOM 0 H5 U A 8 3.404 -1.892 -2.918 1.00 0.00 H new ATOM 0 H6 U A 8 2.930 -2.935 -5.008 1.00 0.00 H new ATOM 159 P G A 9 -1.788 -6.562 -6.110 1.00 0.00 P ATOM 160 OP1 G A 9 -2.695 -7.163 -7.115 1.00 0.00 O ATOM 161 OP2 G A 9 -2.376 -5.589 -5.162 1.00 0.00 O ATOM 162 O5' G A 9 -1.029 -7.697 -5.323 1.00 0.00 O ATOM 163 C5' G A 9 -1.500 -8.944 -4.865 1.00 0.00 C ATOM 164 C4' G A 9 -1.659 -8.971 -3.327 1.00 0.00 C ATOM 165 O4' G A 9 -0.485 -8.429 -2.636 1.00 0.00 O ATOM 166 C3' G A 9 -2.811 -8.102 -2.839 1.00 0.00 C ATOM 167 O3' G A 9 -4.033 -8.817 -2.948 1.00 0.00 O ATOM 168 C2' G A 9 -2.438 -7.748 -1.404 1.00 0.00 C ATOM 169 O2' G A 9 -2.862 -8.749 -0.477 1.00 0.00 O ATOM 170 C1' G A 9 -0.892 -7.709 -1.458 1.00 0.00 C ATOM 171 N9 G A 9 -0.289 -6.337 -1.440 1.00 0.00 N ATOM 172 C8 G A 9 0.106 -5.532 -2.473 1.00 0.00 C ATOM 173 N7 G A 9 0.585 -4.369 -2.115 1.00 0.00 N ATOM 174 C5 G A 9 0.516 -4.375 -0.754 1.00 0.00 C ATOM 175 C6 G A 9 0.901 -3.367 0.137 1.00 0.00 C ATOM 176 O6 G A 9 1.369 -2.276 -0.188 1.00 0.00 O ATOM 177 N1 G A 9 0.673 -3.751 1.480 1.00 0.00 N ATOM 178 C2 G A 9 0.133 -4.974 1.901 1.00 0.00 C ATOM 179 N2 G A 9 0.035 -5.059 3.244 1.00 0.00 N ATOM 180 N3 G A 9 -0.230 -5.928 1.009 1.00 0.00 N ATOM 181 C4 G A 9 -0.019 -5.579 -0.286 1.00 0.00 C ATOM 0 H5' G A 9 -0.808 -9.728 -5.172 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.460 -9.164 -5.333 1.00 0.00 H new ATOM 0 H4' G A 9 -1.821 -10.025 -3.104 1.00 0.00 H new ATOM 0 H3' G A 9 -2.962 -7.196 -3.425 1.00 0.00 H new ATOM 0 H2' G A 9 -2.905 -6.822 -1.070 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.530 -8.528 0.418 1.00 0.00 H new ATOM 0 H1' G A 9 -0.520 -8.171 -0.544 1.00 0.00 H new ATOM 0 H8 G A 9 0.028 -5.834 -3.507 1.00 0.00 H new ATOM 0 H1 G A 9 0.924 -3.079 2.205 1.00 0.00 H new ATOM 0 H21 G A 9 -0.344 -5.902 3.675 1.00 0.00 H new ATOM 0 H22 G A 9 0.340 -4.280 3.828 1.00 0.00 H new ATOM 193 P A A 10 -5.326 -8.383 -3.729 1.00 0.00 P ATOM 194 OP1 A A 10 -5.510 -9.288 -4.886 1.00 0.00 O ATOM 195 OP2 A A 10 -5.306 -6.926 -4.007 1.00 0.00 O ATOM 196 O5' A A 10 -6.391 -8.752 -2.614 1.00 0.00 O ATOM 197 C5' A A 10 -7.419 -7.886 -2.157 1.00 0.00 C ATOM 198 C4' A A 10 -7.196 -7.358 -0.720 1.00 0.00 C ATOM 199 O4' A A 10 -7.055 -8.446 0.231 1.00 0.00 O ATOM 200 C3' A A 10 -5.946 -6.493 -0.500 1.00 0.00 C ATOM 201 O3' A A 10 -6.277 -5.111 -0.633 1.00 0.00 O ATOM 202 C2' A A 10 -5.411 -6.897 0.897 1.00 0.00 C ATOM 203 O2' A A 10 -5.345 -5.826 1.834 1.00 0.00 O ATOM 204 C1' A A 10 -6.406 -7.949 1.400 1.00 0.00 C ATOM 205 N9 A A 10 -5.756 -9.099 2.073 1.00 0.00 N ATOM 206 C8 A A 10 -5.025 -10.123 1.547 1.00 0.00 C ATOM 207 N7 A A 10 -4.597 -10.995 2.433 1.00 0.00 N ATOM 208 C5 A A 10 -5.073 -10.518 3.630 1.00 0.00 C ATOM 209 C6 A A 10 -4.936 -11.031 4.937 1.00 0.00 C ATOM 210 N6 A A 10 -4.238 -12.191 5.142 1.00 0.00 N ATOM 211 N1 A A 10 -5.554 -10.284 5.917 1.00 0.00 N ATOM 212 C2 A A 10 -6.217 -9.168 5.582 1.00 0.00 C ATOM 213 N3 A A 10 -6.398 -8.616 4.399 1.00 0.00 N ATOM 214 C4 A A 10 -5.793 -9.348 3.442 1.00 0.00 C ATOM 0 H5' A A 10 -8.371 -8.415 -2.196 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.497 -7.038 -2.838 1.00 0.00 H new ATOM 0 H4' A A 10 -8.085 -6.746 -0.569 1.00 0.00 H new ATOM 0 H3' A A 10 -5.164 -6.654 -1.242 1.00 0.00 H new ATOM 0 H2' A A 10 -4.384 -7.250 0.806 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.672 -5.177 1.542 1.00 0.00 H new ATOM 0 H1' A A 10 -7.072 -7.488 2.130 1.00 0.00 H new ATOM 0 H8 A A 10 -4.815 -10.210 0.491 1.00 0.00 H new ATOM 0 H61 A A 10 -4.137 -12.565 6.085 1.00 0.00 H new ATOM 0 H62 A A 10 -3.819 -12.681 4.351 1.00 0.00 H new ATOM 0 H2 A A 10 -6.672 -8.641 6.407 1.00 0.00 H new ATOM 226 P C A 11 -5.593 -4.209 -1.761 1.00 0.00 P ATOM 227 OP1 C A 11 -6.576 -3.965 -2.840 1.00 0.00 O ATOM 228 OP2 C A 11 -4.274 -4.752 -2.164 1.00 0.00 O ATOM 229 O5' C A 11 -5.316 -2.877 -0.973 1.00 0.00 O ATOM 230 C5' C A 11 -6.345 -1.997 -0.557 1.00 0.00 C ATOM 231 C4' C A 11 -5.889 -1.226 0.689 1.00 0.00 C ATOM 232 O4' C A 11 -6.929 -0.284 1.084 1.00 0.00 O ATOM 233 C3' C A 11 -5.686 -2.133 1.911 1.00 0.00 C ATOM 234 O3' C A 11 -4.351 -2.002 2.385 1.00 0.00 O ATOM 235 C2' C A 11 -6.741 -1.708 2.933 1.00 0.00 C ATOM 236 O2' C A 11 -6.335 -1.785 4.294 1.00 0.00 O ATOM 237 C1' C A 11 -7.124 -0.297 2.505 1.00 0.00 C ATOM 238 N1 C A 11 -8.555 -0.032 2.878 1.00 0.00 N ATOM 239 C2 C A 11 -8.894 0.472 4.195 1.00 0.00 C ATOM 240 O2 C A 11 -8.023 0.734 5.051 1.00 0.00 O ATOM 241 N3 C A 11 -10.232 0.663 4.490 1.00 0.00 N ATOM 242 C4 C A 11 -11.209 0.391 3.582 1.00 0.00 C ATOM 243 N4 C A 11 -12.532 0.560 3.875 1.00 0.00 N ATOM 244 C5 C A 11 -10.850 -0.105 2.272 1.00 0.00 C ATOM 245 C6 C A 11 -9.570 -0.293 1.984 1.00 0.00 C ATOM 0 H5' C A 11 -7.252 -2.560 -0.337 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.588 -1.301 -1.359 1.00 0.00 H new ATOM 0 H4' C A 11 -4.949 -0.747 0.416 1.00 0.00 H new ATOM 0 H3' C A 11 -5.814 -3.191 1.684 1.00 0.00 H new ATOM 0 H2' C A 11 -7.584 -2.399 2.924 1.00 0.00 H new ATOM 0 HO2' C A 11 -5.619 -1.137 4.459 1.00 0.00 H new ATOM 0 H1' C A 11 -6.532 0.480 2.989 1.00 0.00 H new ATOM 0 H41 C A 11 -13.241 0.347 3.173 1.00 0.00 H new ATOM 0 H42 C A 11 -12.811 0.899 4.796 1.00 0.00 H new ATOM 0 H5 C A 11 -11.614 -0.319 1.539 1.00 0.00 H new ATOM 0 H6 C A 11 -9.311 -0.668 1.005 1.00 0.00 H new ATOM 257 P A A 12 -3.185 -3.067 2.388 1.00 0.00 P ATOM 258 OP1 A A 12 -1.929 -2.366 2.741 1.00 0.00 O ATOM 259 OP2 A A 12 -3.187 -3.814 1.110 1.00 0.00 O ATOM 260 O5' A A 12 -3.567 -4.070 3.555 1.00 0.00 O ATOM 261 C5' A A 12 -3.687 -3.701 4.927 1.00 0.00 C ATOM 262 C4' A A 12 -3.371 -4.860 5.905 1.00 0.00 C ATOM 263 O4' A A 12 -3.873 -6.142 5.384 1.00 0.00 O ATOM 264 C3' A A 12 -1.881 -5.111 6.144 1.00 0.00 C ATOM 265 O3' A A 12 -1.290 -4.234 7.109 1.00 0.00 O ATOM 266 C2' A A 12 -1.844 -6.579 6.556 1.00 0.00 C ATOM 267 O2' A A 12 -2.038 -6.810 7.950 1.00 0.00 O ATOM 268 C1' A A 12 -2.967 -7.204 5.719 1.00 0.00 C ATOM 269 N9 A A 12 -2.515 -7.973 4.511 1.00 0.00 N ATOM 270 C8 A A 12 -2.552 -7.655 3.174 1.00 0.00 C ATOM 271 N7 A A 12 -2.092 -8.588 2.385 1.00 0.00 N ATOM 272 C5 A A 12 -1.716 -9.601 3.219 1.00 0.00 C ATOM 273 C6 A A 12 -1.156 -10.853 2.907 1.00 0.00 C ATOM 274 N6 A A 12 -0.947 -11.182 1.593 1.00 0.00 N ATOM 275 N1 A A 12 -0.886 -11.653 3.990 1.00 0.00 N ATOM 276 C2 A A 12 -1.159 -11.217 5.225 1.00 0.00 C ATOM 277 N3 A A 12 -1.689 -10.057 5.618 1.00 0.00 N ATOM 278 C4 A A 12 -1.953 -9.269 4.543 1.00 0.00 C ATOM 0 H5' A A 12 -4.700 -3.345 5.113 1.00 0.00 H new ATOM 0 H5'' A A 12 -3.014 -2.869 5.132 1.00 0.00 H new ATOM 0 H4' A A 12 -3.850 -4.540 6.830 1.00 0.00 H new ATOM 0 H3' A A 12 -1.279 -4.902 5.260 1.00 0.00 H new ATOM 0 H2' A A 12 -0.860 -7.012 6.378 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.236 -7.228 8.327 1.00 0.00 H new ATOM 0 H1' A A 12 -3.455 -7.975 6.316 1.00 0.00 H new ATOM 0 H8 A A 12 -2.930 -6.712 2.807 1.00 0.00 H new ATOM 0 H61 A A 12 -0.542 -12.086 1.352 1.00 0.00 H new ATOM 0 H62 A A 12 -1.197 -10.522 0.856 1.00 0.00 H new ATOM 0 H2 A A 12 -0.915 -11.905 6.021 1.00 0.00 H new ATOM 290 P A A 13 0.216 -3.713 6.972 1.00 0.00 P ATOM 291 OP1 A A 13 0.462 -2.720 8.044 1.00 0.00 O ATOM 292 OP2 A A 13 0.444 -3.247 5.586 1.00 0.00 O ATOM 293 O5' A A 13 1.116 -5.014 7.220 1.00 0.00 O ATOM 294 C5' A A 13 1.264 -5.551 8.538 1.00 0.00 C ATOM 295 C4' A A 13 1.728 -7.033 8.578 1.00 0.00 C ATOM 296 O4' A A 13 0.830 -7.908 7.809 1.00 0.00 O ATOM 297 C3' A A 13 3.110 -7.336 7.992 1.00 0.00 C ATOM 298 O3' A A 13 4.197 -7.039 8.871 1.00 0.00 O ATOM 299 C2' A A 13 3.001 -8.837 7.692 1.00 0.00 C ATOM 300 O2' A A 13 3.141 -9.681 8.840 1.00 0.00 O ATOM 301 C1' A A 13 1.586 -8.925 7.115 1.00 0.00 C ATOM 302 N9 A A 13 1.526 -8.769 5.619 1.00 0.00 N ATOM 303 C8 A A 13 1.134 -7.697 4.876 1.00 0.00 C ATOM 304 N7 A A 13 1.194 -7.861 3.582 1.00 0.00 N ATOM 305 C5 A A 13 1.659 -9.130 3.420 1.00 0.00 C ATOM 306 C6 A A 13 1.920 -9.840 2.235 1.00 0.00 C ATOM 307 N6 A A 13 1.694 -9.236 1.025 1.00 0.00 N ATOM 308 N1 A A 13 2.388 -11.117 2.419 1.00 0.00 N ATOM 309 C2 A A 13 2.562 -11.593 3.658 1.00 0.00 C ATOM 310 N3 A A 13 2.345 -11.003 4.835 1.00 0.00 N ATOM 311 C4 A A 13 1.881 -9.740 4.650 1.00 0.00 C ATOM 0 H5' A A 13 0.311 -5.467 9.061 1.00 0.00 H new ATOM 0 H5'' A A 13 1.983 -4.943 9.087 1.00 0.00 H new ATOM 0 H4' A A 13 1.736 -7.219 9.652 1.00 0.00 H new ATOM 0 H3' A A 13 3.340 -6.717 7.125 1.00 0.00 H new ATOM 0 H2' A A 13 3.799 -9.187 7.037 1.00 0.00 H new ATOM 0 HO2' A A 13 3.609 -9.193 9.549 1.00 0.00 H new ATOM 0 H1' A A 13 1.170 -9.920 7.272 1.00 0.00 H new ATOM 0 H8 A A 13 0.797 -6.775 5.326 1.00 0.00 H new ATOM 0 H61 A A 13 1.880 -9.743 0.159 1.00 0.00 H new ATOM 0 H62 A A 13 1.340 -8.280 0.990 1.00 0.00 H new ATOM 0 H2 A A 13 2.933 -12.606 3.713 1.00 0.00 H new ATOM 323 P A A 14 5.583 -6.474 8.314 1.00 0.00 P ATOM 324 OP1 A A 14 6.532 -6.367 9.446 1.00 0.00 O ATOM 325 OP2 A A 14 5.322 -5.230 7.551 1.00 0.00 O ATOM 326 O5' A A 14 6.102 -7.581 7.292 1.00 0.00 O ATOM 327 C5' A A 14 6.523 -8.875 7.705 1.00 0.00 C ATOM 328 C4' A A 14 6.733 -9.877 6.536 1.00 0.00 C ATOM 329 O4' A A 14 5.506 -10.095 5.758 1.00 0.00 O ATOM 330 C3' A A 14 7.782 -9.451 5.512 1.00 0.00 C ATOM 331 O3' A A 14 9.087 -9.860 5.932 1.00 0.00 O ATOM 332 C2' A A 14 7.286 -10.087 4.202 1.00 0.00 C ATOM 333 O2' A A 14 7.742 -11.425 4.011 1.00 0.00 O ATOM 334 C1' A A 14 5.760 -10.021 4.345 1.00 0.00 C ATOM 335 N9 A A 14 5.133 -8.785 3.758 1.00 0.00 N ATOM 336 C8 A A 14 4.618 -7.701 4.409 1.00 0.00 C ATOM 337 N7 A A 14 4.152 -6.756 3.642 1.00 0.00 N ATOM 338 C5 A A 14 4.357 -7.221 2.374 1.00 0.00 C ATOM 339 C6 A A 14 4.048 -6.618 1.144 1.00 0.00 C ATOM 340 N6 A A 14 3.449 -5.391 1.138 1.00 0.00 N ATOM 341 N1 A A 14 4.384 -7.351 0.035 1.00 0.00 N ATOM 342 C2 A A 14 4.963 -8.548 0.179 1.00 0.00 C ATOM 343 N3 A A 14 5.296 -9.205 1.296 1.00 0.00 N ATOM 344 C4 A A 14 4.961 -8.473 2.390 1.00 0.00 C ATOM 0 H5' A A 14 5.782 -9.284 8.392 1.00 0.00 H new ATOM 0 H5'' A A 14 7.456 -8.782 8.261 1.00 0.00 H new ATOM 0 H4' A A 14 7.062 -10.777 7.056 1.00 0.00 H new ATOM 0 H3' A A 14 7.889 -8.373 5.388 1.00 0.00 H new ATOM 0 H2' A A 14 7.668 -9.566 3.324 1.00 0.00 H new ATOM 0 HO2' A A 14 8.716 -11.427 3.906 1.00 0.00 H new ATOM 0 H1' A A 14 5.308 -10.838 3.783 1.00 0.00 H new ATOM 0 H8 A A 14 4.598 -7.631 5.487 1.00 0.00 H new ATOM 0 H61 A A 14 3.218 -4.940 0.252 1.00 0.00 H new ATOM 0 H62 A A 14 3.232 -4.925 2.019 1.00 0.00 H new ATOM 0 H2 A A 14 5.196 -9.060 -0.743 1.00 0.00 H new ATOM 356 P G A 15 10.418 -9.240 5.333 1.00 0.00 P ATOM 357 OP1 G A 15 11.558 -9.702 6.155 1.00 0.00 O ATOM 358 OP2 G A 15 10.256 -7.772 5.176 1.00 0.00 O ATOM 359 O5' G A 15 10.483 -9.983 3.928 1.00 0.00 O ATOM 360 C5' G A 15 10.894 -9.310 2.750 1.00 0.00 C ATOM 361 C4' G A 15 10.362 -10.030 1.493 1.00 0.00 C ATOM 362 O4' G A 15 8.912 -9.870 1.342 1.00 0.00 O ATOM 363 C3' G A 15 10.968 -9.451 0.216 1.00 0.00 C ATOM 364 O3' G A 15 12.100 -10.222 -0.191 1.00 0.00 O ATOM 365 C2' G A 15 9.818 -9.471 -0.793 1.00 0.00 C ATOM 366 O2' G A 15 9.724 -10.668 -1.567 1.00 0.00 O ATOM 367 C1' G A 15 8.587 -9.262 0.086 1.00 0.00 C ATOM 368 N9 G A 15 8.146 -7.839 0.302 1.00 0.00 N ATOM 369 C8 G A 15 8.032 -7.170 1.482 1.00 0.00 C ATOM 370 N7 G A 15 7.637 -5.925 1.379 1.00 0.00 N ATOM 371 C5 G A 15 7.466 -5.728 0.036 1.00 0.00 C ATOM 372 C6 G A 15 7.050 -4.562 -0.631 1.00 0.00 C ATOM 373 O6 G A 15 6.775 -3.481 -0.093 1.00 0.00 O ATOM 374 N1 G A 15 6.994 -4.766 -2.041 1.00 0.00 N ATOM 375 C2 G A 15 7.307 -5.961 -2.719 1.00 0.00 C ATOM 376 N2 G A 15 7.161 -5.864 -4.070 1.00 0.00 N ATOM 377 N3 G A 15 7.707 -7.063 -2.029 1.00 0.00 N ATOM 378 C4 G A 15 7.767 -6.893 -0.679 1.00 0.00 C ATOM 0 H5' G A 15 11.982 -9.262 2.714 1.00 0.00 H new ATOM 0 H5'' G A 15 10.530 -8.283 2.767 1.00 0.00 H new ATOM 0 H4' G A 15 10.633 -11.077 1.629 1.00 0.00 H new ATOM 0 H3' G A 15 11.355 -8.439 0.334 1.00 0.00 H new ATOM 0 H2' G A 15 9.951 -8.709 -1.561 1.00 0.00 H new ATOM 0 HO2' G A 15 10.534 -11.205 -1.439 1.00 0.00 H new ATOM 0 H1' G A 15 7.733 -9.705 -0.427 1.00 0.00 H new ATOM 0 H8 G A 15 8.251 -7.632 2.433 1.00 0.00 H new ATOM 0 H1 G A 15 6.700 -3.973 -2.612 1.00 0.00 H new ATOM 0 H21 G A 15 7.360 -6.669 -4.664 1.00 0.00 H new ATOM 0 H22 G A 15 6.852 -4.986 -4.488 1.00 0.00 H new ATOM 390 P C A 16 13.521 -9.589 -0.507 1.00 0.00 P ATOM 391 OP1 C A 16 14.494 -10.690 -0.700 1.00 0.00 O ATOM 392 OP2 C A 16 13.859 -8.581 0.525 1.00 0.00 O ATOM 393 O5' C A 16 13.279 -8.834 -1.880 1.00 0.00 O ATOM 394 C5' C A 16 13.095 -9.539 -3.104 1.00 0.00 C ATOM 395 C4' C A 16 12.543 -8.633 -4.231 1.00 0.00 C ATOM 396 O4' C A 16 11.168 -8.184 -3.949 1.00 0.00 O ATOM 397 C3' C A 16 13.322 -7.329 -4.450 1.00 0.00 C ATOM 398 O3' C A 16 14.512 -7.515 -5.216 1.00 0.00 O ATOM 399 C2' C A 16 12.275 -6.443 -5.120 1.00 0.00 C ATOM 400 O2' C A 16 12.090 -6.685 -6.514 1.00 0.00 O ATOM 401 C1' C A 16 11.019 -6.787 -4.297 1.00 0.00 C ATOM 402 N1 C A 16 10.777 -5.904 -3.083 1.00 0.00 N ATOM 403 C2 C A 16 10.347 -4.540 -3.303 1.00 0.00 C ATOM 404 O2 C A 16 10.160 -4.068 -4.441 1.00 0.00 O ATOM 405 N3 C A 16 10.137 -3.739 -2.201 1.00 0.00 N ATOM 406 C4 C A 16 10.319 -4.189 -0.934 1.00 0.00 C ATOM 407 N4 C A 16 10.108 -3.385 0.148 1.00 0.00 N ATOM 408 C5 C A 16 10.746 -5.546 -0.708 1.00 0.00 C ATOM 409 C6 C A 16 10.954 -6.338 -1.770 1.00 0.00 C ATOM 0 H5' C A 16 12.409 -10.370 -2.941 1.00 0.00 H new ATOM 0 H5'' C A 16 14.046 -9.968 -3.420 1.00 0.00 H new ATOM 0 H4' C A 16 12.621 -9.275 -5.108 1.00 0.00 H new ATOM 0 H3' C A 16 13.718 -6.890 -3.534 1.00 0.00 H new ATOM 0 H2' C A 16 12.555 -5.390 -5.116 1.00 0.00 H new ATOM 0 HO2' C A 16 12.873 -7.153 -6.871 1.00 0.00 H new ATOM 0 H1' C A 16 10.125 -6.597 -4.891 1.00 0.00 H new ATOM 0 H41 C A 16 10.252 -3.749 1.090 1.00 0.00 H new ATOM 0 H42 C A 16 9.806 -2.420 0.015 1.00 0.00 H new ATOM 0 H5 C A 16 10.895 -5.918 0.295 1.00 0.00 H new ATOM 0 H6 C A 16 11.272 -7.356 -1.601 1.00 0.00 H new ATOM 421 P G A 17 15.791 -6.575 -5.051 1.00 0.00 P ATOM 422 OP1 G A 17 16.930 -7.215 -5.751 1.00 0.00 O ATOM 423 OP2 G A 17 15.998 -6.255 -3.619 1.00 0.00 O ATOM 424 O5' G A 17 15.382 -5.232 -5.810 1.00 0.00 O ATOM 425 C5' G A 17 15.230 -5.228 -7.230 1.00 0.00 C ATOM 426 C4' G A 17 14.536 -3.955 -7.766 1.00 0.00 C ATOM 427 O4' G A 17 13.270 -3.696 -7.068 1.00 0.00 O ATOM 428 C3' G A 17 15.334 -2.655 -7.607 1.00 0.00 C ATOM 429 O3' G A 17 16.293 -2.489 -8.654 1.00 0.00 O ATOM 430 C2' G A 17 14.235 -1.590 -7.626 1.00 0.00 C ATOM 431 O2' G A 17 13.792 -1.233 -8.936 1.00 0.00 O ATOM 432 C1' G A 17 13.115 -2.284 -6.835 1.00 0.00 C ATOM 433 N9 G A 17 12.959 -1.959 -5.375 1.00 0.00 N ATOM 434 C8 G A 17 13.054 -2.773 -4.280 1.00 0.00 C ATOM 435 N7 G A 17 12.829 -2.187 -3.133 1.00 0.00 N ATOM 436 C5 G A 17 12.561 -0.891 -3.455 1.00 0.00 C ATOM 437 C6 G A 17 12.249 0.166 -2.592 1.00 0.00 C ATOM 438 O6 G A 17 12.158 0.083 -1.363 1.00 0.00 O ATOM 439 N1 G A 17 12.034 1.373 -3.311 1.00 0.00 N ATOM 440 C2 G A 17 12.114 1.533 -4.708 1.00 0.00 C ATOM 441 N2 G A 17 11.859 2.806 -5.118 1.00 0.00 N ATOM 442 N3 G A 17 12.420 0.476 -5.507 1.00 0.00 N ATOM 443 C4 G A 17 12.630 -0.694 -4.838 1.00 0.00 C ATOM 0 H5' G A 17 14.652 -6.102 -7.529 1.00 0.00 H new ATOM 0 H5'' G A 17 16.212 -5.321 -7.694 1.00 0.00 H new ATOM 0 H4' G A 17 14.413 -4.184 -8.825 1.00 0.00 H new ATOM 0 H3' G A 17 15.940 -2.617 -6.702 1.00 0.00 H new ATOM 0 H2' G A 17 14.575 -0.640 -7.213 1.00 0.00 H new ATOM 0 HO2' G A 17 14.471 -1.494 -9.593 1.00 0.00 H new ATOM 0 H1' G A 17 12.175 -1.882 -7.213 1.00 0.00 H new ATOM 0 H8 G A 17 13.297 -3.822 -4.357 1.00 0.00 H new ATOM 0 H1 G A 17 11.800 2.201 -2.764 1.00 0.00 H new ATOM 0 H21 G A 17 11.889 3.038 -6.111 1.00 0.00 H new ATOM 0 H22 G A 17 11.638 3.528 -4.432 1.00 0.00 H new ATOM 455 P C A 18 17.711 -1.810 -8.415 1.00 0.00 P ATOM 456 OP1 C A 18 18.490 -1.898 -9.672 1.00 0.00 O ATOM 457 OP2 C A 18 18.339 -2.398 -7.207 1.00 0.00 O ATOM 458 O5' C A 18 17.356 -0.295 -8.104 1.00 0.00 O ATOM 459 C5' C A 18 16.910 0.614 -9.107 1.00 0.00 C ATOM 460 C4' C A 18 16.514 1.995 -8.524 1.00 0.00 C ATOM 461 O4' C A 18 15.368 1.886 -7.619 1.00 0.00 O ATOM 462 C3' C A 18 17.606 2.672 -7.700 1.00 0.00 C ATOM 463 O3' C A 18 18.497 3.440 -8.508 1.00 0.00 O ATOM 464 C2' C A 18 16.865 3.482 -6.635 1.00 0.00 C ATOM 465 O2' C A 18 16.591 4.835 -6.998 1.00 0.00 O ATOM 466 C1' C A 18 15.553 2.702 -6.440 1.00 0.00 C ATOM 467 N1 C A 18 15.509 1.928 -5.159 1.00 0.00 N ATOM 468 C2 C A 18 15.266 2.607 -3.899 1.00 0.00 C ATOM 469 O2 C A 18 15.089 3.839 -3.822 1.00 0.00 O ATOM 470 N3 C A 18 15.233 1.842 -2.747 1.00 0.00 N ATOM 471 C4 C A 18 15.418 0.494 -2.788 1.00 0.00 C ATOM 472 N4 C A 18 15.388 -0.280 -1.667 1.00 0.00 N ATOM 473 C5 C A 18 15.654 -0.155 -4.051 1.00 0.00 C ATOM 474 C6 C A 18 15.690 0.576 -5.158 1.00 0.00 C ATOM 0 H5' C A 18 16.054 0.184 -9.627 1.00 0.00 H new ATOM 0 H5'' C A 18 17.699 0.749 -9.847 1.00 0.00 H new ATOM 0 H4' C A 18 16.300 2.588 -9.413 1.00 0.00 H new ATOM 0 H3' C A 18 18.271 1.950 -7.226 1.00 0.00 H new ATOM 0 H2' C A 18 17.475 3.579 -5.737 1.00 0.00 H new ATOM 0 HO2' C A 18 17.122 5.076 -7.785 1.00 0.00 H new ATOM 0 HO3' C A 18 19.178 3.856 -7.939 1.00 0.00 H new ATOM 0 H1' C A 18 14.717 3.393 -6.336 1.00 0.00 H new ATOM 0 H41 C A 18 15.531 -1.287 -1.739 1.00 0.00 H new ATOM 0 H42 C A 18 15.222 0.148 -0.756 1.00 0.00 H new ATOM 0 H5 C A 18 15.800 -1.224 -4.097 1.00 0.00 H new ATOM 0 H6 C A 18 15.871 0.079 -6.099 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.595 2.961 5.727 1.00 0.00 N ATOM 489 CA ASN B 1 9.850 2.325 4.603 1.00 0.00 C ATOM 490 C ASN B 1 8.505 2.988 4.337 1.00 0.00 C ATOM 491 O ASN B 1 7.783 3.349 5.271 1.00 0.00 O ATOM 492 CB ASN B 1 9.714 0.776 4.809 1.00 0.00 C ATOM 493 CG ASN B 1 9.068 0.368 6.153 1.00 0.00 C ATOM 494 OD1 ASN B 1 9.767 0.189 7.157 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.709 0.214 6.154 1.00 0.00 N ATOM 0 H1 ASN B 1 11.355 2.326 6.043 1.00 0.00 H new ATOM 0 H2 ASN B 1 11.006 3.860 5.406 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.944 3.141 6.517 1.00 0.00 H new ATOM 0 HA ASN B 1 10.445 2.484 3.704 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.120 0.363 3.994 1.00 0.00 H new ATOM 0 HB3 ASN B 1 10.704 0.324 4.743 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.227 -0.061 7.010 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.177 0.374 5.299 1.00 0.00 H new ATOM 503 N ALA B 2 8.172 3.162 3.022 1.00 0.00 N ATOM 504 CA ALA B 2 6.951 3.772 2.532 1.00 0.00 C ATOM 505 C ALA B 2 5.880 2.724 2.258 1.00 0.00 C ATOM 506 O ALA B 2 5.664 2.286 1.121 1.00 0.00 O ATOM 507 CB ALA B 2 7.172 4.704 1.325 1.00 0.00 C ATOM 0 H ALA B 2 8.788 2.861 2.267 1.00 0.00 H new ATOM 0 HA ALA B 2 6.589 4.417 3.333 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.217 5.125 1.011 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.849 5.510 1.607 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.606 4.137 0.502 1.00 0.00 H new ATOM 513 N LYS B 3 5.182 2.318 3.352 1.00 0.00 N ATOM 514 CA LYS B 3 4.062 1.391 3.393 1.00 0.00 C ATOM 515 C LYS B 3 2.788 2.236 3.431 1.00 0.00 C ATOM 516 O LYS B 3 1.946 2.106 2.542 1.00 0.00 O ATOM 517 CB LYS B 3 4.103 0.366 4.579 1.00 0.00 C ATOM 518 CG LYS B 3 5.005 -0.884 4.371 1.00 0.00 C ATOM 519 CD LYS B 3 4.474 -1.985 3.409 1.00 0.00 C ATOM 520 CE LYS B 3 3.269 -2.822 3.907 1.00 0.00 C ATOM 521 NZ LYS B 3 3.635 -3.789 4.977 1.00 0.00 N ATOM 0 H LYS B 3 5.418 2.664 4.282 1.00 0.00 H new ATOM 0 HA LYS B 3 4.105 0.759 2.506 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.442 0.889 5.473 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.086 0.027 4.775 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.972 -0.546 3.998 1.00 0.00 H new ATOM 0 HG3 LYS B 3 5.181 -1.341 5.345 1.00 0.00 H new ATOM 0 HD2 LYS B 3 4.193 -1.509 2.470 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.294 -2.668 3.187 1.00 0.00 H new ATOM 0 HE2 LYS B 3 2.497 -2.150 4.281 1.00 0.00 H new ATOM 0 HE3 LYS B 3 2.839 -3.365 3.066 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 2.869 -3.836 5.679 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 3.780 -4.730 4.559 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 4.512 -3.477 5.442 1.00 0.00 H new ATOM 535 N THR B 4 2.637 3.135 4.458 1.00 0.00 N ATOM 536 CA THR B 4 1.504 4.032 4.694 1.00 0.00 C ATOM 537 C THR B 4 1.340 5.109 3.631 1.00 0.00 C ATOM 538 O THR B 4 0.204 5.395 3.259 1.00 0.00 O ATOM 539 CB THR B 4 1.421 4.664 6.101 1.00 0.00 C ATOM 540 OG1 THR B 4 2.662 5.229 6.520 1.00 0.00 O ATOM 541 CG2 THR B 4 0.920 3.624 7.136 1.00 0.00 C ATOM 0 H THR B 4 3.357 3.242 5.172 1.00 0.00 H new ATOM 0 HA THR B 4 0.664 3.341 4.624 1.00 0.00 H new ATOM 0 HB THR B 4 0.703 5.482 6.041 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.559 5.618 7.414 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.868 4.087 8.121 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.070 3.272 6.848 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.610 2.781 7.168 1.00 0.00 H new ATOM 549 N ARG B 5 2.445 5.717 3.108 1.00 0.00 N ATOM 550 CA ARG B 5 2.441 6.748 2.075 1.00 0.00 C ATOM 551 C ARG B 5 1.734 6.272 0.801 1.00 0.00 C ATOM 552 O ARG B 5 0.800 6.948 0.357 1.00 0.00 O ATOM 553 CB ARG B 5 3.866 7.306 1.790 1.00 0.00 C ATOM 554 CG ARG B 5 4.560 8.065 2.949 1.00 0.00 C ATOM 555 CD ARG B 5 3.848 9.337 3.453 1.00 0.00 C ATOM 556 NE ARG B 5 4.631 9.874 4.628 1.00 0.00 N ATOM 557 CZ ARG B 5 4.145 10.111 5.891 1.00 0.00 C ATOM 558 NH1 ARG B 5 2.832 9.949 6.234 1.00 0.00 N ATOM 559 NH2 ARG B 5 5.029 10.527 6.851 1.00 0.00 N ATOM 0 H ARG B 5 3.387 5.480 3.419 1.00 0.00 H new ATOM 0 HA ARG B 5 1.861 7.584 2.464 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.505 6.473 1.497 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.804 7.977 0.933 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.672 7.379 3.789 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.564 8.340 2.626 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.792 10.082 2.660 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.824 9.109 3.749 1.00 0.00 H new ATOM 0 HE ARG B 5 5.617 10.081 4.468 1.00 0.00 H new ATOM 0 HH11 ARG B 5 2.157 9.637 5.536 1.00 0.00 H new ATOM 0 HH12 ARG B 5 2.527 10.140 7.188 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.014 10.652 6.618 1.00 0.00 H new ATOM 0 HH22 ARG B 5 4.702 10.712 7.799 1.00 0.00 H new ATOM 573 N ARG B 6 2.114 5.079 0.228 1.00 0.00 N ATOM 574 CA ARG B 6 1.454 4.466 -0.930 1.00 0.00 C ATOM 575 C ARG B 6 0.014 4.075 -0.574 1.00 0.00 C ATOM 576 O ARG B 6 -0.903 4.367 -1.349 1.00 0.00 O ATOM 577 CB ARG B 6 2.192 3.262 -1.600 1.00 0.00 C ATOM 578 CG ARG B 6 2.447 1.998 -0.737 1.00 0.00 C ATOM 579 CD ARG B 6 2.911 0.759 -1.521 1.00 0.00 C ATOM 580 NE ARG B 6 1.757 -0.092 -2.003 1.00 0.00 N ATOM 581 CZ ARG B 6 1.339 -0.207 -3.306 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.546 0.779 -4.226 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.720 -1.362 -3.712 1.00 0.00 N ATOM 0 H ARG B 6 2.898 4.529 0.578 1.00 0.00 H new ATOM 0 HA ARG B 6 1.475 5.246 -1.691 1.00 0.00 H new ATOM 0 HB2 ARG B 6 1.615 2.960 -2.474 1.00 0.00 H new ATOM 0 HB3 ARG B 6 3.156 3.620 -1.963 1.00 0.00 H new ATOM 0 HG2 ARG B 6 3.199 2.236 0.016 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.530 1.749 -0.204 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.505 1.077 -2.378 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.562 0.156 -0.888 1.00 0.00 H new ATOM 0 HE ARG B 6 1.246 -0.626 -1.300 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.026 1.637 -3.955 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.221 0.658 -5.185 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.575 -2.123 -3.049 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.405 -1.460 -4.677 1.00 0.00 H new ATOM 597 N HIS B 7 -0.199 3.423 0.624 1.00 0.00 N ATOM 598 CA HIS B 7 -1.454 2.978 1.195 1.00 0.00 C ATOM 599 C HIS B 7 -2.496 4.081 1.149 1.00 0.00 C ATOM 600 O HIS B 7 -3.512 3.848 0.520 1.00 0.00 O ATOM 601 CB HIS B 7 -1.317 2.398 2.628 1.00 0.00 C ATOM 602 CG HIS B 7 -2.606 1.918 3.235 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.632 2.635 3.748 1.00 0.00 N flip ATOM 604 CD2 HIS B 7 -2.940 0.600 3.355 1.00 0.00 C flip ATOM 605 CE1 HIS B 7 -4.568 1.745 4.188 1.00 0.00 C flip ATOM 606 NE2 HIS B 7 -4.130 0.525 3.931 1.00 0.00 N flip ATOM 0 H HIS B 7 0.585 3.195 1.235 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.790 2.151 0.570 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.611 1.568 2.604 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.888 3.163 3.276 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -3.694 3.652 3.797 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -2.338 -0.237 3.035 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -5.505 1.994 4.664 1.00 0.00 H new ATOM 615 N GLU B 8 -2.272 5.284 1.766 1.00 0.00 N ATOM 616 CA GLU B 8 -3.140 6.465 1.802 1.00 0.00 C ATOM 617 C GLU B 8 -3.909 6.688 0.490 1.00 0.00 C ATOM 618 O GLU B 8 -5.141 6.634 0.504 1.00 0.00 O ATOM 619 CB GLU B 8 -2.366 7.764 2.219 1.00 0.00 C ATOM 620 CG GLU B 8 -2.022 7.891 3.726 1.00 0.00 C ATOM 621 CD GLU B 8 -1.178 9.144 3.997 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.725 10.272 3.858 1.00 0.00 O ATOM 623 OE2 GLU B 8 0.019 8.993 4.364 1.00 0.00 O ATOM 0 H GLU B 8 -1.409 5.445 2.285 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.879 6.253 2.575 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.438 7.810 1.649 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.962 8.629 1.928 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.942 7.935 4.310 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.479 7.005 4.054 1.00 0.00 H new ATOM 630 N ARG B 9 -3.204 6.904 -0.667 1.00 0.00 N ATOM 631 CA ARG B 9 -3.781 7.115 -1.993 1.00 0.00 C ATOM 632 C ARG B 9 -4.543 5.890 -2.527 1.00 0.00 C ATOM 633 O ARG B 9 -5.698 6.038 -2.935 1.00 0.00 O ATOM 634 CB ARG B 9 -2.723 7.631 -3.026 1.00 0.00 C ATOM 635 CG ARG B 9 -3.274 8.166 -4.376 1.00 0.00 C ATOM 636 CD ARG B 9 -4.164 9.425 -4.275 1.00 0.00 C ATOM 637 NE ARG B 9 -4.739 9.750 -5.634 1.00 0.00 N ATOM 638 CZ ARG B 9 -5.988 9.394 -6.089 1.00 0.00 C ATOM 639 NH1 ARG B 9 -6.851 8.619 -5.367 1.00 0.00 N ATOM 640 NH2 ARG B 9 -6.378 9.832 -7.324 1.00 0.00 N ATOM 0 H ARG B 9 -2.184 6.933 -0.677 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.523 7.903 -1.865 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.146 8.426 -2.554 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.030 6.817 -3.239 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -2.431 8.389 -5.030 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -3.848 7.373 -4.855 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -4.969 9.257 -3.559 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -3.579 10.267 -3.906 1.00 0.00 H new ATOM 0 HE ARG B 9 -4.147 10.282 -6.272 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -6.580 8.276 -4.445 1.00 0.00 H new ATOM 0 HH12 ARG B 9 -7.767 8.383 -5.750 1.00 0.00 H new ATOM 0 HH21 ARG B 9 -5.748 10.408 -7.883 1.00 0.00 H new ATOM 0 HH22 ARG B 9 -7.298 9.583 -7.686 1.00 0.00 H new ATOM 654 N ARG B 10 -3.921 4.666 -2.534 1.00 0.00 N ATOM 655 CA ARG B 10 -4.499 3.403 -2.999 1.00 0.00 C ATOM 656 C ARG B 10 -5.756 3.006 -2.192 1.00 0.00 C ATOM 657 O ARG B 10 -6.738 2.586 -2.797 1.00 0.00 O ATOM 658 CB ARG B 10 -3.406 2.279 -3.056 1.00 0.00 C ATOM 659 CG ARG B 10 -3.765 0.970 -3.812 1.00 0.00 C ATOM 660 CD ARG B 10 -4.381 -0.172 -2.965 1.00 0.00 C ATOM 661 NE ARG B 10 -3.346 -1.215 -2.578 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.478 -1.170 -1.517 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.416 -0.134 -0.634 1.00 0.00 N ATOM 664 NH2 ARG B 10 -1.645 -2.240 -1.348 1.00 0.00 N ATOM 0 H ARG B 10 -2.965 4.551 -2.198 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.853 3.544 -4.020 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.513 2.701 -3.518 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.141 2.015 -2.032 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.465 1.218 -4.610 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -2.860 0.592 -4.288 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -4.829 0.246 -2.064 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -5.183 -0.649 -3.528 1.00 0.00 H new ATOM 0 HE ARG B 10 -3.291 -2.041 -3.174 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -3.038 0.667 -0.743 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -1.748 -0.160 0.136 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -1.686 -3.026 -1.997 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -0.982 -2.253 -0.573 1.00 0.00 H new ATOM 678 N ARG B 11 -5.771 3.179 -0.828 1.00 0.00 N ATOM 679 CA ARG B 11 -6.831 2.977 0.156 1.00 0.00 C ATOM 680 C ARG B 11 -8.063 3.726 -0.322 1.00 0.00 C ATOM 681 O ARG B 11 -9.080 3.067 -0.510 1.00 0.00 O ATOM 682 CB ARG B 11 -6.384 3.412 1.581 1.00 0.00 C ATOM 683 CG ARG B 11 -7.417 3.246 2.710 1.00 0.00 C ATOM 684 CD ARG B 11 -7.408 4.359 3.757 1.00 0.00 C ATOM 685 NE ARG B 11 -8.447 3.981 4.783 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.844 4.732 5.859 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.331 5.965 6.136 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.798 4.202 6.684 1.00 0.00 N ATOM 0 H ARG B 11 -4.924 3.504 -0.362 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.066 1.916 0.240 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.494 2.842 1.847 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.090 4.461 1.540 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.412 3.191 2.268 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.237 2.294 3.210 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.424 4.453 4.216 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.642 5.322 3.303 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.900 3.075 4.664 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.618 6.369 5.529 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.661 6.483 6.950 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.187 3.280 6.488 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.120 4.729 7.496 1.00 0.00 H new ATOM 702 N LYS B 12 -7.996 5.084 -0.562 1.00 0.00 N ATOM 703 CA LYS B 12 -9.064 5.952 -1.075 1.00 0.00 C ATOM 704 C LYS B 12 -9.846 5.261 -2.197 1.00 0.00 C ATOM 705 O LYS B 12 -11.057 5.078 -2.078 1.00 0.00 O ATOM 706 CB LYS B 12 -8.571 7.364 -1.540 1.00 0.00 C ATOM 707 CG LYS B 12 -8.046 8.289 -0.415 1.00 0.00 C ATOM 708 CD LYS B 12 -7.387 9.599 -0.916 1.00 0.00 C ATOM 709 CE LYS B 12 -6.798 10.513 0.181 1.00 0.00 C ATOM 710 NZ LYS B 12 -5.596 9.927 0.830 1.00 0.00 N ATOM 0 H LYS B 12 -7.138 5.607 -0.385 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.727 6.127 -0.227 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.778 7.229 -2.275 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.394 7.868 -2.047 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.875 8.544 0.245 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.320 7.737 0.183 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.591 9.340 -1.614 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.130 10.167 -1.476 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.537 11.477 -0.256 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.559 10.702 0.938 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.643 10.087 1.857 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.562 8.905 0.640 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -4.740 10.378 0.448 1.00 0.00 H new ATOM 724 N LEU B 13 -9.139 4.819 -3.277 1.00 0.00 N ATOM 725 CA LEU B 13 -9.651 4.106 -4.436 1.00 0.00 C ATOM 726 C LEU B 13 -10.233 2.748 -4.102 1.00 0.00 C ATOM 727 O LEU B 13 -11.375 2.500 -4.487 1.00 0.00 O ATOM 728 CB LEU B 13 -8.591 3.984 -5.562 1.00 0.00 C ATOM 729 CG LEU B 13 -8.215 5.357 -6.191 1.00 0.00 C ATOM 730 CD1 LEU B 13 -6.851 5.279 -6.924 1.00 0.00 C ATOM 731 CD2 LEU B 13 -9.401 5.951 -7.012 1.00 0.00 C ATOM 0 H LEU B 13 -8.133 4.972 -3.344 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.474 4.718 -4.805 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.693 3.516 -5.159 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.971 3.325 -6.342 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.053 6.090 -5.401 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -6.613 6.252 -7.354 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -6.073 4.995 -6.215 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -6.907 4.535 -7.719 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -9.105 6.910 -7.438 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -9.667 5.264 -7.815 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -10.261 6.095 -6.357 1.00 0.00 H new ATOM 743 N ALA B 14 -9.485 1.867 -3.366 1.00 0.00 N ATOM 744 CA ALA B 14 -9.882 0.545 -2.895 1.00 0.00 C ATOM 745 C ALA B 14 -11.214 0.600 -2.180 1.00 0.00 C ATOM 746 O ALA B 14 -12.090 -0.213 -2.489 1.00 0.00 O ATOM 747 CB ALA B 14 -8.868 -0.096 -1.929 1.00 0.00 C ATOM 0 H ALA B 14 -8.533 2.098 -3.080 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.940 -0.066 -3.796 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.229 -1.077 -1.620 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.906 -0.205 -2.431 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.750 0.540 -1.051 1.00 0.00 H new ATOM 753 N ILE B 15 -11.399 1.594 -1.240 1.00 0.00 N ATOM 754 CA ILE B 15 -12.638 1.811 -0.530 1.00 0.00 C ATOM 755 C ILE B 15 -13.715 2.120 -1.571 1.00 0.00 C ATOM 756 O ILE B 15 -14.705 1.391 -1.643 1.00 0.00 O ATOM 757 CB ILE B 15 -12.753 2.850 0.617 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.546 2.991 1.595 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.039 2.462 1.388 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.993 4.407 1.592 1.00 0.00 C ATOM 0 H ILE B 15 -10.664 2.251 -0.980 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.741 0.881 0.029 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.774 3.838 0.158 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.860 2.723 2.604 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.761 2.291 1.309 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.189 3.153 2.217 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.895 2.511 0.715 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.939 1.448 1.775 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.153 4.471 2.284 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.656 4.664 0.588 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.773 5.103 1.902 1.00 0.00 H new ATOM 772 N GLU B 16 -13.524 3.211 -2.380 1.00 0.00 N ATOM 773 CA GLU B 16 -14.429 3.686 -3.407 1.00 0.00 C ATOM 774 C GLU B 16 -14.845 2.640 -4.482 1.00 0.00 C ATOM 775 O GLU B 16 -15.815 2.880 -5.209 1.00 0.00 O ATOM 776 CB GLU B 16 -13.895 4.977 -4.137 1.00 0.00 C ATOM 777 CG GLU B 16 -13.886 6.277 -3.289 1.00 0.00 C ATOM 778 CD GLU B 16 -15.298 6.761 -2.928 1.00 0.00 C ATOM 779 OE1 GLU B 16 -16.066 7.132 -3.858 1.00 0.00 O ATOM 780 OE2 GLU B 16 -15.617 6.781 -1.710 1.00 0.00 O ATOM 0 H GLU B 16 -12.687 3.789 -2.307 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.326 3.919 -2.834 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.879 4.783 -4.481 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.505 5.148 -5.024 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.321 6.104 -2.373 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.368 7.062 -3.840 1.00 0.00 H new ATOM 787 N ARG B 17 -14.169 1.446 -4.579 1.00 0.00 N ATOM 788 CA ARG B 17 -14.503 0.326 -5.459 1.00 0.00 C ATOM 789 C ARG B 17 -15.750 -0.346 -4.859 1.00 0.00 C ATOM 790 O ARG B 17 -16.779 -0.452 -5.530 1.00 0.00 O ATOM 791 CB ARG B 17 -13.377 -0.746 -5.659 1.00 0.00 C ATOM 792 CG ARG B 17 -12.083 -0.297 -6.386 1.00 0.00 C ATOM 793 CD ARG B 17 -11.062 -1.420 -6.707 1.00 0.00 C ATOM 794 NE ARG B 17 -10.675 -2.172 -5.448 1.00 0.00 N ATOM 795 CZ ARG B 17 -9.412 -2.540 -5.057 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.288 -2.244 -5.772 1.00 0.00 N ATOM 797 NH2 ARG B 17 -9.276 -3.233 -3.885 1.00 0.00 N ATOM 0 H ARG B 17 -13.344 1.254 -4.011 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.660 0.736 -6.457 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -13.096 -1.127 -4.677 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.803 -1.581 -6.215 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.364 0.190 -7.320 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.586 0.454 -5.772 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -11.491 -2.112 -7.432 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.173 -0.989 -7.166 1.00 0.00 H new ATOM 0 HE ARG B 17 -11.438 -2.433 -4.823 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.362 -1.723 -6.646 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.374 -2.543 -5.432 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -10.100 -3.462 -3.329 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -8.351 -3.521 -3.567 1.00 0.00 H new ATOM 811 N ASP B 18 -15.651 -0.771 -3.562 1.00 0.00 N ATOM 812 CA ASP B 18 -16.650 -1.395 -2.706 1.00 0.00 C ATOM 813 C ASP B 18 -17.897 -0.519 -2.519 1.00 0.00 C ATOM 814 O ASP B 18 -19.012 -1.019 -2.688 1.00 0.00 O ATOM 815 CB ASP B 18 -16.016 -1.802 -1.330 1.00 0.00 C ATOM 816 CG ASP B 18 -16.966 -2.632 -0.454 1.00 0.00 C ATOM 817 OD1 ASP B 18 -17.287 -3.787 -0.845 1.00 0.00 O ATOM 818 OD2 ASP B 18 -17.372 -2.118 0.622 1.00 0.00 O ATOM 0 H ASP B 18 -14.769 -0.663 -3.061 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.990 -2.300 -3.209 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.105 -2.373 -1.511 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.726 -0.901 -0.789 1.00 0.00 H new ATOM 823 N THR B 19 -17.707 0.791 -2.165 1.00 0.00 N ATOM 824 CA THR B 19 -18.690 1.853 -1.916 1.00 0.00 C ATOM 825 C THR B 19 -19.910 1.777 -2.874 1.00 0.00 C ATOM 826 O THR B 19 -21.047 1.646 -2.348 1.00 0.00 O ATOM 827 CB THR B 19 -18.112 3.287 -1.933 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.569 3.631 -3.193 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.136 3.562 -0.766 1.00 0.00 C ATOM 830 OXT THR B 19 -19.723 1.836 -4.119 1.00 0.00 O ATOM 0 H THR B 19 -16.759 1.147 -2.039 1.00 0.00 H new ATOM 0 HA THR B 19 -19.020 1.654 -0.896 1.00 0.00 H new ATOM 0 HB THR B 19 -18.958 3.955 -1.768 1.00 0.00 H new ATOM 0 HG1 THR B 19 -17.972 3.069 -3.887 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.766 4.585 -0.835 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.656 3.427 0.183 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.297 2.868 -0.822 1.00 0.00 H new TER 838 THR B 19