USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 347 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 11 C O2' : rot 151:sc= -0.565 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -2.99! K(o=-3.6!,f=-0.21) USER MOD Single : A 4 G O2' : rot -9:sc= 0.0723 USER MOD Single : A 4 G O5' : rot 180:sc= 0 USER MOD Single : A 5 C O2' : rot -20:sc= 0.0125 USER MOD Single : A 6 G O2' : rot -15:sc= 0.0724 USER MOD Single : A 7 C O2' : rot -117:sc= 0.625 USER MOD Single : A 8 U O2' : rot -18:sc= 0.131 USER MOD Single : A 9 G O2' : rot -167:sc= 0.598 USER MOD Single : A 10 A O2' : rot -58:sc= 0.159 USER MOD Single : A 12 A O2' : rot -24:sc= 0.0333 USER MOD Single : A 13 A O2' : rot -20:sc= 0.0142 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -14:sc= 0.0397 USER MOD Single : A 16 C O2' : rot -22:sc= 0.00468 USER MOD Single : A 17 G O2' : rot -28:sc= 0.0338 USER MOD Single : A 18 C O2' : rot -13:sc= 0.0562 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0544 USER MOD Single : B 1 ASN : amide:sc= -0.0893 X(o=-0.089,f=-0.46) USER MOD Single : B 1 ASN N :NH3+ 174:sc= 0 (180deg=-0.0304) USER MOD Single : B 3 LYS NZ :NH3+ 140:sc= 0.514 (180deg=-0.272) 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 -34:sc= -0.122 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.408 6.285 7.742 1.00 0.00 O ATOM 2 C5' G A 4 10.463 5.457 7.271 1.00 0.00 C ATOM 3 C4' G A 4 11.153 6.121 6.069 1.00 0.00 C ATOM 4 O4' G A 4 12.253 5.293 5.601 1.00 0.00 O ATOM 5 C3' G A 4 10.267 6.256 4.828 1.00 0.00 C ATOM 6 O3' G A 4 9.435 7.420 4.861 1.00 0.00 O ATOM 7 C2' G A 4 11.263 6.280 3.678 1.00 0.00 C ATOM 8 O2' G A 4 11.632 7.572 3.193 1.00 0.00 O ATOM 9 C1' G A 4 12.475 5.533 4.201 1.00 0.00 C ATOM 10 N9 G A 4 12.752 4.281 3.461 1.00 0.00 N ATOM 11 C8 G A 4 12.640 3.022 3.916 1.00 0.00 C ATOM 12 N7 G A 4 12.961 2.089 3.056 1.00 0.00 N ATOM 13 C5 G A 4 13.314 2.784 1.928 1.00 0.00 C ATOM 14 C6 G A 4 13.741 2.283 0.695 1.00 0.00 C ATOM 15 O6 G A 4 13.882 1.085 0.432 1.00 0.00 O ATOM 16 N1 G A 4 14.008 3.335 -0.232 1.00 0.00 N ATOM 17 C2 G A 4 13.878 4.712 0.017 1.00 0.00 C ATOM 18 N2 G A 4 14.204 5.471 -1.068 1.00 0.00 N ATOM 19 N3 G A 4 13.460 5.153 1.235 1.00 0.00 N ATOM 20 C4 G A 4 13.198 4.160 2.133 1.00 0.00 C ATOM 0 H5' G A 4 10.070 4.482 6.983 1.00 0.00 H new ATOM 0 H5'' G A 4 11.187 5.287 8.068 1.00 0.00 H new ATOM 0 H4' G A 4 11.444 7.102 6.445 1.00 0.00 H new ATOM 0 H3' G A 4 9.549 5.440 4.742 1.00 0.00 H new ATOM 0 H2' G A 4 10.800 5.824 2.803 1.00 0.00 H new ATOM 0 HO2' G A 4 11.052 8.251 3.597 1.00 0.00 H new ATOM 0 HO5' G A 4 8.971 5.855 8.507 1.00 0.00 H new ATOM 0 H1' G A 4 13.368 6.139 4.050 1.00 0.00 H new ATOM 0 H8 G A 4 12.309 2.796 4.919 1.00 0.00 H new ATOM 0 H1 G A 4 14.323 3.062 -1.163 1.00 0.00 H new ATOM 0 H21 G A 4 14.150 6.488 -1.014 1.00 0.00 H new ATOM 0 H22 G A 4 14.502 5.022 -1.934 1.00 0.00 H new ATOM 33 P C A 5 8.048 7.520 4.096 1.00 0.00 P ATOM 34 OP1 C A 5 7.469 8.846 4.421 1.00 0.00 O ATOM 35 OP2 C A 5 7.224 6.341 4.445 1.00 0.00 O ATOM 36 O5' C A 5 8.416 7.440 2.538 1.00 0.00 O ATOM 37 C5' C A 5 8.734 8.593 1.762 1.00 0.00 C ATOM 38 C4' C A 5 8.988 8.324 0.244 1.00 0.00 C ATOM 39 O4' C A 5 10.265 7.641 -0.028 1.00 0.00 O ATOM 40 C3' C A 5 7.933 7.508 -0.517 1.00 0.00 C ATOM 41 O3' C A 5 6.775 8.278 -0.863 1.00 0.00 O ATOM 42 C2' C A 5 8.730 6.970 -1.720 1.00 0.00 C ATOM 43 O2' C A 5 8.859 7.904 -2.792 1.00 0.00 O ATOM 44 C1' C A 5 10.106 6.670 -1.097 1.00 0.00 C ATOM 45 N1 C A 5 10.268 5.266 -0.588 1.00 0.00 N ATOM 46 C2 C A 5 10.650 4.208 -1.492 1.00 0.00 C ATOM 47 O2 C A 5 10.852 4.404 -2.706 1.00 0.00 O ATOM 48 N3 C A 5 10.796 2.939 -0.975 1.00 0.00 N ATOM 49 C4 C A 5 10.591 2.673 0.342 1.00 0.00 C ATOM 50 N4 C A 5 10.719 1.410 0.838 1.00 0.00 N ATOM 51 C5 C A 5 10.214 3.738 1.237 1.00 0.00 C ATOM 52 C6 C A 5 10.067 4.967 0.735 1.00 0.00 C ATOM 0 H5' C A 5 9.622 9.062 2.185 1.00 0.00 H new ATOM 0 H5'' C A 5 7.919 9.311 1.856 1.00 0.00 H new ATOM 0 H4' C A 5 8.967 9.351 -0.120 1.00 0.00 H new ATOM 0 H3' C A 5 7.490 6.705 0.072 1.00 0.00 H new ATOM 0 H2' C A 5 8.236 6.114 -2.180 1.00 0.00 H new ATOM 0 HO2' C A 5 8.165 8.591 -2.712 1.00 0.00 H new ATOM 0 H1' C A 5 10.878 6.752 -1.862 1.00 0.00 H new ATOM 0 H41 C A 5 10.560 1.233 1.830 1.00 0.00 H new ATOM 0 H42 C A 5 10.973 0.642 0.217 1.00 0.00 H new ATOM 0 H5 C A 5 10.054 3.547 2.288 1.00 0.00 H new ATOM 0 H6 C A 5 9.776 5.764 1.403 1.00 0.00 H new ATOM 64 P G A 6 5.392 7.599 -1.282 1.00 0.00 P ATOM 65 OP1 G A 6 4.340 8.643 -1.292 1.00 0.00 O ATOM 66 OP2 G A 6 5.132 6.415 -0.430 1.00 0.00 O ATOM 67 O5' G A 6 5.688 7.163 -2.783 1.00 0.00 O ATOM 68 C5' G A 6 5.256 5.914 -3.307 1.00 0.00 C ATOM 69 C4' G A 6 6.072 5.542 -4.565 1.00 0.00 C ATOM 70 O4' G A 6 7.434 5.139 -4.201 1.00 0.00 O ATOM 71 C3' G A 6 5.503 4.341 -5.322 1.00 0.00 C ATOM 72 O3' G A 6 4.623 4.764 -6.369 1.00 0.00 O ATOM 73 C2' G A 6 6.735 3.592 -5.853 1.00 0.00 C ATOM 74 O2' G A 6 7.226 4.104 -7.093 1.00 0.00 O ATOM 75 C1' G A 6 7.751 3.847 -4.739 1.00 0.00 C ATOM 76 N9 G A 6 7.901 2.822 -3.659 1.00 0.00 N ATOM 77 C8 G A 6 7.662 2.952 -2.327 1.00 0.00 C ATOM 78 N7 G A 6 7.929 1.899 -1.604 1.00 0.00 N ATOM 79 C5 G A 6 8.380 0.981 -2.506 1.00 0.00 C ATOM 80 C6 G A 6 8.805 -0.324 -2.262 1.00 0.00 C ATOM 81 O6 G A 6 8.847 -0.859 -1.150 1.00 0.00 O ATOM 82 N1 G A 6 9.197 -0.974 -3.463 1.00 0.00 N ATOM 83 C2 G A 6 9.179 -0.416 -4.756 1.00 0.00 C ATOM 84 N2 G A 6 9.594 -1.289 -5.717 1.00 0.00 N ATOM 85 N3 G A 6 8.760 0.865 -4.946 1.00 0.00 N ATOM 86 C4 G A 6 8.379 1.505 -3.804 1.00 0.00 C ATOM 0 H5' G A 6 4.196 5.965 -3.556 1.00 0.00 H new ATOM 0 H5'' G A 6 5.369 5.137 -2.551 1.00 0.00 H new ATOM 0 H4' G A 6 6.041 6.438 -5.185 1.00 0.00 H new ATOM 0 H3' G A 6 4.895 3.695 -4.689 1.00 0.00 H new ATOM 0 H2' G A 6 6.522 2.545 -6.066 1.00 0.00 H new ATOM 0 HO2' G A 6 6.546 4.679 -7.502 1.00 0.00 H new ATOM 0 H1' G A 6 8.736 3.786 -5.201 1.00 0.00 H new ATOM 0 H8 G A 6 7.277 3.865 -1.896 1.00 0.00 H new ATOM 0 H1 G A 6 9.523 -1.937 -3.381 1.00 0.00 H new ATOM 0 H21 G A 6 9.623 -0.996 -6.694 1.00 0.00 H new ATOM 0 H22 G A 6 9.875 -2.235 -5.459 1.00 0.00 H new ATOM 98 P C A 7 3.336 3.922 -6.754 1.00 0.00 P ATOM 99 OP1 C A 7 2.732 4.502 -7.976 1.00 0.00 O ATOM 100 OP2 C A 7 2.460 3.802 -5.566 1.00 0.00 O ATOM 101 O5' C A 7 3.943 2.501 -7.066 1.00 0.00 O ATOM 102 C5' C A 7 4.529 2.080 -8.289 1.00 0.00 C ATOM 103 C4' C A 7 4.794 0.548 -8.297 1.00 0.00 C ATOM 104 O4' C A 7 5.928 0.175 -7.444 1.00 0.00 O ATOM 105 C3' C A 7 3.614 -0.260 -7.756 1.00 0.00 C ATOM 106 O3' C A 7 2.676 -0.480 -8.809 1.00 0.00 O ATOM 107 C2' C A 7 4.238 -1.502 -7.130 1.00 0.00 C ATOM 108 O2' C A 7 4.287 -2.645 -7.985 1.00 0.00 O ATOM 109 C1' C A 7 5.668 -1.080 -6.774 1.00 0.00 C ATOM 110 N1 C A 7 5.785 -0.975 -5.297 1.00 0.00 N ATOM 111 C2 C A 7 6.139 -2.137 -4.515 1.00 0.00 C ATOM 112 O2 C A 7 6.429 -3.230 -5.034 1.00 0.00 O ATOM 113 N3 C A 7 6.147 -2.012 -3.141 1.00 0.00 N ATOM 114 C4 C A 7 5.833 -0.838 -2.530 1.00 0.00 C ATOM 115 N4 C A 7 5.826 -0.740 -1.167 1.00 0.00 N ATOM 116 C5 C A 7 5.490 0.304 -3.351 1.00 0.00 C ATOM 117 C6 C A 7 5.484 0.193 -4.660 1.00 0.00 C ATOM 0 H5' C A 7 5.467 2.613 -8.447 1.00 0.00 H new ATOM 0 H5'' C A 7 3.871 2.341 -9.118 1.00 0.00 H new ATOM 0 H4' C A 7 4.983 0.322 -9.346 1.00 0.00 H new ATOM 0 H3' C A 7 3.023 0.237 -6.987 1.00 0.00 H new ATOM 0 H2' C A 7 3.630 -1.818 -6.283 1.00 0.00 H new ATOM 0 HO2' C A 7 3.743 -3.364 -7.601 1.00 0.00 H new ATOM 0 H1' C A 7 6.409 -1.809 -7.102 1.00 0.00 H new ATOM 0 H41 C A 7 5.589 0.146 -0.721 1.00 0.00 H new ATOM 0 H42 C A 7 6.058 -1.553 -0.596 1.00 0.00 H new ATOM 0 H5 C A 7 5.239 1.247 -2.888 1.00 0.00 H new ATOM 0 H6 C A 7 5.231 1.059 -5.254 1.00 0.00 H new ATOM 129 P U A 8 1.197 -1.018 -8.712 1.00 0.00 P ATOM 130 OP1 U A 8 0.539 -0.791 -10.019 1.00 0.00 O ATOM 131 OP2 U A 8 0.537 -0.427 -7.528 1.00 0.00 O ATOM 132 O5' U A 8 1.436 -2.581 -8.546 1.00 0.00 O ATOM 133 C5' U A 8 0.811 -3.335 -7.528 1.00 0.00 C ATOM 134 C4' U A 8 1.326 -4.792 -7.482 1.00 0.00 C ATOM 135 O4' U A 8 2.694 -4.901 -6.971 1.00 0.00 O ATOM 136 C3' U A 8 0.481 -5.647 -6.547 1.00 0.00 C ATOM 137 O3' U A 8 -0.512 -6.351 -7.292 1.00 0.00 O ATOM 138 C2' U A 8 1.461 -6.611 -5.869 1.00 0.00 C ATOM 139 O2' U A 8 1.664 -7.844 -6.563 1.00 0.00 O ATOM 140 C1' U A 8 2.765 -5.806 -5.849 1.00 0.00 C ATOM 141 N1 U A 8 3.063 -5.097 -4.555 1.00 0.00 N ATOM 142 C2 U A 8 3.371 -5.891 -3.391 1.00 0.00 C ATOM 143 O2 U A 8 3.416 -7.128 -3.361 1.00 0.00 O ATOM 144 N3 U A 8 3.635 -5.137 -2.223 1.00 0.00 N ATOM 145 C4 U A 8 3.623 -3.721 -2.107 1.00 0.00 C ATOM 146 O4 U A 8 3.869 -3.157 -1.036 1.00 0.00 O ATOM 147 C5 U A 8 3.304 -3.023 -3.338 1.00 0.00 C ATOM 148 C6 U A 8 3.046 -3.712 -4.467 1.00 0.00 C ATOM 0 H5' U A 8 -0.267 -3.337 -7.689 1.00 0.00 H new ATOM 0 H5'' U A 8 0.988 -2.858 -6.564 1.00 0.00 H new ATOM 0 H4' U A 8 1.275 -5.132 -8.516 1.00 0.00 H new ATOM 0 H3' U A 8 -0.051 -5.049 -5.807 1.00 0.00 H new ATOM 0 H2' U A 8 1.084 -6.922 -4.894 1.00 0.00 H new ATOM 0 HO2' U A 8 0.935 -7.983 -7.203 1.00 0.00 H new ATOM 0 H1' U A 8 3.607 -6.493 -5.932 1.00 0.00 H new ATOM 0 H3 U A 8 3.857 -5.664 -1.378 1.00 0.00 H new ATOM 0 H5 U A 8 3.273 -1.944 -3.350 1.00 0.00 H new ATOM 0 H6 U A 8 2.811 -3.151 -5.360 1.00 0.00 H new ATOM 159 P G A 9 -2.025 -6.527 -6.894 1.00 0.00 P ATOM 160 OP1 G A 9 -2.623 -7.557 -7.776 1.00 0.00 O ATOM 161 OP2 G A 9 -2.670 -5.198 -6.910 1.00 0.00 O ATOM 162 O5' G A 9 -1.954 -7.058 -5.399 1.00 0.00 O ATOM 163 C5' G A 9 -1.699 -8.426 -5.085 1.00 0.00 C ATOM 164 C4' G A 9 -1.644 -8.695 -3.559 1.00 0.00 C ATOM 165 O4' G A 9 -0.412 -8.175 -2.954 1.00 0.00 O ATOM 166 C3' G A 9 -2.780 -8.043 -2.763 1.00 0.00 C ATOM 167 O3' G A 9 -3.948 -8.859 -2.770 1.00 0.00 O ATOM 168 C2' G A 9 -2.181 -7.820 -1.375 1.00 0.00 C ATOM 169 O2' G A 9 -2.289 -8.964 -0.524 1.00 0.00 O ATOM 170 C1' G A 9 -0.692 -7.545 -1.689 1.00 0.00 C ATOM 171 N9 G A 9 -0.270 -6.106 -1.752 1.00 0.00 N ATOM 172 C8 G A 9 -0.143 -5.284 -2.838 1.00 0.00 C ATOM 173 N7 G A 9 0.231 -4.060 -2.567 1.00 0.00 N ATOM 174 C5 G A 9 0.373 -4.043 -1.212 1.00 0.00 C ATOM 175 C6 G A 9 0.759 -2.972 -0.400 1.00 0.00 C ATOM 176 O6 G A 9 1.036 -1.844 -0.807 1.00 0.00 O ATOM 177 N1 G A 9 0.795 -3.345 0.967 1.00 0.00 N ATOM 178 C2 G A 9 0.490 -4.616 1.479 1.00 0.00 C ATOM 179 N2 G A 9 0.631 -4.691 2.821 1.00 0.00 N ATOM 180 N3 G A 9 0.115 -5.632 0.658 1.00 0.00 N ATOM 181 C4 G A 9 0.075 -5.292 -0.657 1.00 0.00 C ATOM 0 H5' G A 9 -0.753 -8.727 -5.536 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.476 -9.047 -5.530 1.00 0.00 H new ATOM 0 H4' G A 9 -1.715 -9.781 -3.499 1.00 0.00 H new ATOM 0 H3' G A 9 -3.127 -7.101 -3.188 1.00 0.00 H new ATOM 0 H2' G A 9 -2.695 -7.022 -0.839 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.088 -8.705 0.400 1.00 0.00 H new ATOM 0 H1' G A 9 -0.122 -7.947 -0.851 1.00 0.00 H new ATOM 0 H8 G A 9 -0.337 -5.621 -3.846 1.00 0.00 H new ATOM 0 H1 G A 9 1.067 -2.626 1.638 1.00 0.00 H new ATOM 0 H21 G A 9 0.437 -5.567 3.306 1.00 0.00 H new ATOM 0 H22 G A 9 0.932 -3.872 3.349 1.00 0.00 H new ATOM 193 P A A 10 -5.338 -8.456 -3.416 1.00 0.00 P ATOM 194 OP1 A A 10 -5.734 -9.517 -4.368 1.00 0.00 O ATOM 195 OP2 A A 10 -5.295 -7.067 -3.942 1.00 0.00 O ATOM 196 O5' A A 10 -6.266 -8.556 -2.136 1.00 0.00 O ATOM 197 C5' A A 10 -7.207 -7.566 -1.737 1.00 0.00 C ATOM 198 C4' A A 10 -6.845 -6.901 -0.388 1.00 0.00 C ATOM 199 O4' A A 10 -6.733 -7.891 0.668 1.00 0.00 O ATOM 200 C3' A A 10 -5.510 -6.139 -0.366 1.00 0.00 C ATOM 201 O3' A A 10 -5.734 -4.742 -0.566 1.00 0.00 O ATOM 202 C2' A A 10 -4.856 -6.498 0.986 1.00 0.00 C ATOM 203 O2' A A 10 -4.545 -5.378 1.809 1.00 0.00 O ATOM 204 C1' A A 10 -5.881 -7.393 1.694 1.00 0.00 C ATOM 205 N9 A A 10 -5.278 -8.585 2.337 1.00 0.00 N ATOM 206 C8 A A 10 -4.604 -9.628 1.773 1.00 0.00 C ATOM 207 N7 A A 10 -4.213 -10.547 2.627 1.00 0.00 N ATOM 208 C5 A A 10 -4.655 -10.084 3.842 1.00 0.00 C ATOM 209 C6 A A 10 -4.535 -10.643 5.132 1.00 0.00 C ATOM 210 N6 A A 10 -3.896 -11.843 5.297 1.00 0.00 N ATOM 211 N1 A A 10 -5.105 -9.897 6.140 1.00 0.00 N ATOM 212 C2 A A 10 -5.712 -8.739 5.847 1.00 0.00 C ATOM 213 N3 A A 10 -5.875 -8.142 4.684 1.00 0.00 N ATOM 214 C4 A A 10 -5.316 -8.873 3.698 1.00 0.00 C ATOM 0 H5' A A 10 -8.194 -8.021 -1.659 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.270 -6.799 -2.509 1.00 0.00 H new ATOM 0 H4' A A 10 -7.661 -6.194 -0.238 1.00 0.00 H new ATOM 0 H3' A A 10 -4.835 -6.419 -1.175 1.00 0.00 H new ATOM 0 H2' A A 10 -3.894 -6.978 0.805 1.00 0.00 H new ATOM 0 HO2' A A 10 -3.945 -4.773 1.325 1.00 0.00 H new ATOM 0 H1' A A 10 -6.373 -6.804 2.468 1.00 0.00 H new ATOM 0 H8 A A 10 -4.408 -9.693 0.713 1.00 0.00 H new ATOM 0 H61 A A 10 -3.807 -12.250 6.228 1.00 0.00 H new ATOM 0 H62 A A 10 -3.509 -12.330 4.489 1.00 0.00 H new ATOM 0 H2 A A 10 -6.132 -8.215 6.693 1.00 0.00 H new ATOM 226 P C A 11 -5.065 -3.983 -1.800 1.00 0.00 P ATOM 227 OP1 C A 11 -6.053 -3.897 -2.899 1.00 0.00 O ATOM 228 OP2 C A 11 -3.748 -4.579 -2.124 1.00 0.00 O ATOM 229 O5' C A 11 -4.793 -2.539 -1.207 1.00 0.00 O ATOM 230 C5' C A 11 -5.850 -1.656 -0.852 1.00 0.00 C ATOM 231 C4' C A 11 -5.566 -0.929 0.478 1.00 0.00 C ATOM 232 O4' C A 11 -6.743 -0.187 0.901 1.00 0.00 O ATOM 233 C3' C A 11 -5.287 -1.874 1.646 1.00 0.00 C ATOM 234 O3' C A 11 -3.986 -1.598 2.142 1.00 0.00 O ATOM 235 C2' C A 11 -6.396 -1.638 2.673 1.00 0.00 C ATOM 236 O2' C A 11 -6.006 -1.825 4.030 1.00 0.00 O ATOM 237 C1' C A 11 -6.886 -0.235 2.330 1.00 0.00 C ATOM 238 N1 C A 11 -8.324 -0.064 2.742 1.00 0.00 N ATOM 239 C2 C A 11 -8.659 0.420 4.068 1.00 0.00 C ATOM 240 O2 C A 11 -7.786 0.711 4.912 1.00 0.00 O ATOM 241 N3 C A 11 -9.997 0.548 4.392 1.00 0.00 N ATOM 242 C4 C A 11 -10.981 0.233 3.505 1.00 0.00 C ATOM 243 N4 C A 11 -12.303 0.348 3.824 1.00 0.00 N ATOM 244 C5 C A 11 -10.630 -0.246 2.187 1.00 0.00 C ATOM 245 C6 C A 11 -9.347 -0.374 1.870 1.00 0.00 C ATOM 0 H5' C A 11 -6.780 -2.218 -0.768 1.00 0.00 H new ATOM 0 H5'' C A 11 -5.992 -0.921 -1.645 1.00 0.00 H new ATOM 0 H4' C A 11 -4.695 -0.307 0.271 1.00 0.00 H new ATOM 0 H3' C A 11 -5.297 -2.928 1.367 1.00 0.00 H new ATOM 0 H2' C A 11 -7.190 -2.382 2.607 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.545 -1.246 4.608 1.00 0.00 H new ATOM 0 H1' C A 11 -6.338 0.558 2.839 1.00 0.00 H new ATOM 0 H41 C A 11 -13.016 0.104 3.137 1.00 0.00 H new ATOM 0 H42 C A 11 -12.577 0.678 4.749 1.00 0.00 H new ATOM 0 H5 C A 11 -11.399 -0.496 1.471 1.00 0.00 H new ATOM 0 H6 C A 11 -9.093 -0.737 0.885 1.00 0.00 H new ATOM 257 P A A 12 -2.620 -2.362 1.947 1.00 0.00 P ATOM 258 OP1 A A 12 -1.520 -1.381 2.095 1.00 0.00 O ATOM 259 OP2 A A 12 -2.641 -3.141 0.688 1.00 0.00 O ATOM 260 O5' A A 12 -2.578 -3.378 3.165 1.00 0.00 O ATOM 261 C5' A A 12 -2.643 -2.917 4.514 1.00 0.00 C ATOM 262 C4' A A 12 -2.546 -4.060 5.551 1.00 0.00 C ATOM 263 O4' A A 12 -3.187 -5.290 5.066 1.00 0.00 O ATOM 264 C3' A A 12 -1.122 -4.505 5.889 1.00 0.00 C ATOM 265 O3' A A 12 -0.451 -3.616 6.787 1.00 0.00 O ATOM 266 C2' A A 12 -1.341 -5.908 6.457 1.00 0.00 C ATOM 267 O2' A A 12 -1.705 -5.922 7.838 1.00 0.00 O ATOM 268 C1' A A 12 -2.481 -6.440 5.567 1.00 0.00 C ATOM 269 N9 A A 12 -2.054 -7.383 4.469 1.00 0.00 N ATOM 270 C8 A A 12 -2.029 -7.233 3.100 1.00 0.00 C ATOM 271 N7 A A 12 -1.629 -8.287 2.442 1.00 0.00 N ATOM 272 C5 A A 12 -1.360 -9.217 3.405 1.00 0.00 C ATOM 273 C6 A A 12 -0.898 -10.540 3.269 1.00 0.00 C ATOM 274 N6 A A 12 -0.690 -11.049 2.015 1.00 0.00 N ATOM 275 N1 A A 12 -0.721 -11.217 4.449 1.00 0.00 N ATOM 276 C2 A A 12 -0.988 -10.611 5.612 1.00 0.00 C ATOM 277 N3 A A 12 -1.430 -9.376 5.843 1.00 0.00 N ATOM 278 C4 A A 12 -1.602 -8.706 4.674 1.00 0.00 C ATOM 0 H5' A A 12 -3.579 -2.378 4.663 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.835 -2.207 4.688 1.00 0.00 H new ATOM 0 H4' A A 12 -3.030 -3.624 6.425 1.00 0.00 H new ATOM 0 H3' A A 12 -0.453 -4.499 5.029 1.00 0.00 H new ATOM 0 H2' A A 12 -0.432 -6.509 6.438 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.392 -5.098 8.267 1.00 0.00 H new ATOM 0 H1' A A 12 -3.129 -7.072 6.174 1.00 0.00 H new ATOM 0 H8 A A 12 -2.318 -6.315 2.609 1.00 0.00 H new ATOM 0 H61 A A 12 -0.355 -12.006 1.902 1.00 0.00 H new ATOM 0 H62 A A 12 -0.870 -10.471 1.194 1.00 0.00 H new ATOM 0 H2 A A 12 -0.820 -11.212 6.493 1.00 0.00 H new ATOM 290 P A A 13 1.079 -3.204 6.592 1.00 0.00 P ATOM 291 OP1 A A 13 1.403 -2.132 7.563 1.00 0.00 O ATOM 292 OP2 A A 13 1.325 -2.893 5.165 1.00 0.00 O ATOM 293 O5' A A 13 1.881 -4.531 6.966 1.00 0.00 O ATOM 294 C5' A A 13 1.973 -4.982 8.316 1.00 0.00 C ATOM 295 C4' A A 13 2.360 -6.477 8.441 1.00 0.00 C ATOM 296 O4' A A 13 1.389 -7.344 7.756 1.00 0.00 O ATOM 297 C3' A A 13 3.699 -6.875 7.813 1.00 0.00 C ATOM 298 O3' A A 13 4.837 -6.570 8.622 1.00 0.00 O ATOM 299 C2' A A 13 3.514 -8.382 7.597 1.00 0.00 C ATOM 300 O2' A A 13 3.689 -9.171 8.777 1.00 0.00 O ATOM 301 C1' A A 13 2.062 -8.440 7.100 1.00 0.00 C ATOM 302 N9 A A 13 1.922 -8.362 5.602 1.00 0.00 N ATOM 303 C8 A A 13 1.502 -7.320 4.830 1.00 0.00 C ATOM 304 N7 A A 13 1.484 -7.550 3.545 1.00 0.00 N ATOM 305 C5 A A 13 1.921 -8.832 3.421 1.00 0.00 C ATOM 306 C6 A A 13 2.104 -9.604 2.260 1.00 0.00 C ATOM 307 N6 A A 13 1.815 -9.061 1.033 1.00 0.00 N ATOM 308 N1 A A 13 2.566 -10.877 2.482 1.00 0.00 N ATOM 309 C2 A A 13 2.805 -11.295 3.730 1.00 0.00 C ATOM 310 N3 A A 13 2.664 -10.643 4.887 1.00 0.00 N ATOM 311 C4 A A 13 2.208 -9.383 4.665 1.00 0.00 C ATOM 0 H5' A A 13 1.016 -4.820 8.811 1.00 0.00 H new ATOM 0 H5'' A A 13 2.711 -4.378 8.843 1.00 0.00 H new ATOM 0 H4' A A 13 2.400 -6.608 9.522 1.00 0.00 H new ATOM 0 H3' A A 13 3.916 -6.319 6.901 1.00 0.00 H new ATOM 0 H2' A A 13 4.257 -8.798 6.917 1.00 0.00 H new ATOM 0 HO2' A A 13 4.198 -8.660 9.440 1.00 0.00 H new ATOM 0 H1' A A 13 1.622 -9.406 7.346 1.00 0.00 H new ATOM 0 H8 A A 13 1.205 -6.371 5.252 1.00 0.00 H new ATOM 0 H61 A A 13 1.945 -9.615 0.187 1.00 0.00 H new ATOM 0 H62 A A 13 1.470 -8.103 0.968 1.00 0.00 H new ATOM 0 H2 A A 13 3.165 -12.310 3.814 1.00 0.00 H new ATOM 323 P A A 14 6.165 -5.948 7.988 1.00 0.00 P ATOM 324 OP1 A A 14 7.163 -5.780 9.070 1.00 0.00 O ATOM 325 OP2 A A 14 5.810 -4.731 7.222 1.00 0.00 O ATOM 326 O5' A A 14 6.675 -7.053 6.958 1.00 0.00 O ATOM 327 C5' A A 14 7.193 -8.307 7.385 1.00 0.00 C ATOM 328 C4' A A 14 7.308 -9.365 6.256 1.00 0.00 C ATOM 329 O4' A A 14 5.997 -9.691 5.674 1.00 0.00 O ATOM 330 C3' A A 14 8.164 -8.958 5.054 1.00 0.00 C ATOM 331 O3' A A 14 9.556 -9.185 5.276 1.00 0.00 O ATOM 332 C2' A A 14 7.561 -9.804 3.921 1.00 0.00 C ATOM 333 O2' A A 14 8.022 -11.153 3.866 1.00 0.00 O ATOM 334 C1' A A 14 6.065 -9.731 4.237 1.00 0.00 C ATOM 335 N9 A A 14 5.401 -8.523 3.625 1.00 0.00 N ATOM 336 C8 A A 14 4.931 -7.409 4.253 1.00 0.00 C ATOM 337 N7 A A 14 4.418 -6.496 3.477 1.00 0.00 N ATOM 338 C5 A A 14 4.541 -7.020 2.222 1.00 0.00 C ATOM 339 C6 A A 14 4.157 -6.473 0.988 1.00 0.00 C ATOM 340 N6 A A 14 3.563 -5.244 0.964 1.00 0.00 N ATOM 341 N1 A A 14 4.420 -7.255 -0.106 1.00 0.00 N ATOM 342 C2 A A 14 5.005 -8.447 0.055 1.00 0.00 C ATOM 343 N3 A A 14 5.407 -9.055 1.177 1.00 0.00 N ATOM 344 C4 A A 14 5.142 -8.274 2.256 1.00 0.00 C ATOM 0 H5' A A 14 6.553 -8.702 8.174 1.00 0.00 H new ATOM 0 H5'' A A 14 8.179 -8.150 7.823 1.00 0.00 H new ATOM 0 H4' A A 14 7.775 -10.200 6.777 1.00 0.00 H new ATOM 0 H3' A A 14 8.138 -7.891 4.831 1.00 0.00 H new ATOM 0 H2' A A 14 7.845 -9.427 2.939 1.00 0.00 H new ATOM 0 HO2' A A 14 7.588 -11.617 3.120 1.00 0.00 H new ATOM 0 H1' A A 14 5.531 -10.583 3.816 1.00 0.00 H new ATOM 0 H8 A A 14 4.980 -7.290 5.325 1.00 0.00 H new ATOM 0 H61 A A 14 3.278 -4.833 0.075 1.00 0.00 H new ATOM 0 H62 A A 14 3.404 -4.737 1.835 1.00 0.00 H new ATOM 0 H2 A A 14 5.179 -9.001 -0.856 1.00 0.00 H new ATOM 356 P G A 15 10.685 -8.239 4.659 1.00 0.00 P ATOM 357 OP1 G A 15 11.992 -8.639 5.233 1.00 0.00 O ATOM 358 OP2 G A 15 10.296 -6.820 4.833 1.00 0.00 O ATOM 359 O5' G A 15 10.665 -8.575 3.101 1.00 0.00 O ATOM 360 C5' G A 15 10.998 -9.883 2.644 1.00 0.00 C ATOM 361 C4' G A 15 10.481 -10.183 1.218 1.00 0.00 C ATOM 362 O4' G A 15 9.047 -9.940 1.049 1.00 0.00 O ATOM 363 C3' G A 15 11.159 -9.412 0.086 1.00 0.00 C ATOM 364 O3' G A 15 12.377 -10.047 -0.303 1.00 0.00 O ATOM 365 C2' G A 15 10.085 -9.423 -1.007 1.00 0.00 C ATOM 366 O2' G A 15 10.075 -10.615 -1.796 1.00 0.00 O ATOM 367 C1' G A 15 8.796 -9.270 -0.194 1.00 0.00 C ATOM 368 N9 G A 15 8.327 -7.861 0.052 1.00 0.00 N ATOM 369 C8 G A 15 8.252 -7.186 1.232 1.00 0.00 C ATOM 370 N7 G A 15 7.804 -5.956 1.145 1.00 0.00 N ATOM 371 C5 G A 15 7.553 -5.778 -0.188 1.00 0.00 C ATOM 372 C6 G A 15 7.056 -4.636 -0.843 1.00 0.00 C ATOM 373 O6 G A 15 6.758 -3.561 -0.304 1.00 0.00 O ATOM 374 N1 G A 15 6.938 -4.861 -2.245 1.00 0.00 N ATOM 375 C2 G A 15 7.262 -6.050 -2.928 1.00 0.00 C ATOM 376 N2 G A 15 7.047 -5.972 -4.270 1.00 0.00 N ATOM 377 N3 G A 15 7.739 -7.127 -2.252 1.00 0.00 N ATOM 378 C4 G A 15 7.863 -6.940 -0.911 1.00 0.00 C ATOM 0 H5' G A 15 10.585 -10.618 3.335 1.00 0.00 H new ATOM 0 H5'' G A 15 12.081 -10.002 2.663 1.00 0.00 H new ATOM 0 H4' G A 15 10.728 -11.242 1.137 1.00 0.00 H new ATOM 0 H3' G A 15 11.467 -8.399 0.345 1.00 0.00 H new ATOM 0 H2' G A 15 10.244 -8.642 -1.751 1.00 0.00 H new ATOM 0 HO2' G A 15 10.903 -11.116 -1.642 1.00 0.00 H new ATOM 0 H1' G A 15 7.978 -9.698 -0.773 1.00 0.00 H new ATOM 0 H8 G A 15 8.541 -7.631 2.173 1.00 0.00 H new ATOM 0 H1 G A 15 6.585 -4.087 -2.808 1.00 0.00 H new ATOM 0 H21 G A 15 7.247 -6.775 -4.866 1.00 0.00 H new ATOM 0 H22 G A 15 6.686 -5.110 -4.679 1.00 0.00 H new ATOM 390 P C A 16 13.725 -9.262 -0.600 1.00 0.00 P ATOM 391 OP1 C A 16 14.822 -10.250 -0.734 1.00 0.00 O ATOM 392 OP2 C A 16 13.914 -8.198 0.413 1.00 0.00 O ATOM 393 O5' C A 16 13.454 -8.574 -2.003 1.00 0.00 O ATOM 394 C5' C A 16 13.321 -9.325 -3.205 1.00 0.00 C ATOM 395 C4' C A 16 12.698 -8.503 -4.359 1.00 0.00 C ATOM 396 O4' C A 16 11.303 -8.117 -4.078 1.00 0.00 O ATOM 397 C3' C A 16 13.395 -7.170 -4.669 1.00 0.00 C ATOM 398 O3' C A 16 14.577 -7.341 -5.450 1.00 0.00 O ATOM 399 C2' C A 16 12.285 -6.389 -5.375 1.00 0.00 C ATOM 400 O2' C A 16 12.058 -6.805 -6.725 1.00 0.00 O ATOM 401 C1' C A 16 11.082 -6.740 -4.468 1.00 0.00 C ATOM 402 N1 C A 16 10.827 -5.839 -3.267 1.00 0.00 N ATOM 403 C2 C A 16 10.301 -4.511 -3.493 1.00 0.00 C ATOM 404 O2 C A 16 10.053 -4.069 -4.631 1.00 0.00 O ATOM 405 N3 C A 16 10.071 -3.708 -2.393 1.00 0.00 N ATOM 406 C4 C A 16 10.320 -4.122 -1.125 1.00 0.00 C ATOM 407 N4 C A 16 10.089 -3.323 -0.045 1.00 0.00 N ATOM 408 C5 C A 16 10.842 -5.440 -0.894 1.00 0.00 C ATOM 409 C6 C A 16 11.069 -6.233 -1.950 1.00 0.00 C ATOM 0 H5' C A 16 12.702 -10.202 -3.014 1.00 0.00 H new ATOM 0 H5'' C A 16 14.302 -9.688 -3.512 1.00 0.00 H new ATOM 0 H4' C A 16 12.801 -9.189 -5.200 1.00 0.00 H new ATOM 0 H3' C A 16 13.777 -6.650 -3.790 1.00 0.00 H new ATOM 0 H2' C A 16 12.503 -5.326 -5.483 1.00 0.00 H new ATOM 0 HO2' C A 16 12.858 -7.255 -7.068 1.00 0.00 H new ATOM 0 H1' C A 16 10.165 -6.581 -5.035 1.00 0.00 H new ATOM 0 H41 C A 16 10.287 -3.666 0.895 1.00 0.00 H new ATOM 0 H42 C A 16 9.718 -2.382 -0.177 1.00 0.00 H new ATOM 0 H5 C A 16 11.047 -5.784 0.109 1.00 0.00 H new ATOM 0 H6 C A 16 11.458 -7.225 -1.774 1.00 0.00 H new ATOM 421 P G A 17 15.877 -6.438 -5.245 1.00 0.00 P ATOM 422 OP1 G A 17 17.012 -7.091 -5.942 1.00 0.00 O ATOM 423 OP2 G A 17 16.072 -6.152 -3.804 1.00 0.00 O ATOM 424 O5' G A 17 15.505 -5.073 -5.979 1.00 0.00 O ATOM 425 C5' G A 17 15.394 -5.037 -7.403 1.00 0.00 C ATOM 426 C4' G A 17 14.721 -3.749 -7.925 1.00 0.00 C ATOM 427 O4' G A 17 13.415 -3.534 -7.294 1.00 0.00 O ATOM 428 C3' G A 17 15.490 -2.445 -7.668 1.00 0.00 C ATOM 429 O3' G A 17 16.508 -2.227 -8.647 1.00 0.00 O ATOM 430 C2' G A 17 14.377 -1.393 -7.715 1.00 0.00 C ATOM 431 O2' G A 17 13.990 -1.030 -9.044 1.00 0.00 O ATOM 432 C1' G A 17 13.232 -2.137 -7.002 1.00 0.00 C ATOM 433 N9 G A 17 12.998 -1.908 -5.537 1.00 0.00 N ATOM 434 C8 G A 17 13.058 -2.793 -4.494 1.00 0.00 C ATOM 435 N7 G A 17 12.760 -2.294 -3.326 1.00 0.00 N ATOM 436 C5 G A 17 12.476 -0.985 -3.575 1.00 0.00 C ATOM 437 C6 G A 17 12.094 0.000 -2.661 1.00 0.00 C ATOM 438 O6 G A 17 11.942 -0.174 -1.448 1.00 0.00 O ATOM 439 N1 G A 17 11.884 1.250 -3.304 1.00 0.00 N ATOM 440 C2 G A 17 12.031 1.510 -4.682 1.00 0.00 C ATOM 441 N2 G A 17 11.763 2.804 -5.012 1.00 0.00 N ATOM 442 N3 G A 17 12.405 0.517 -5.534 1.00 0.00 N ATOM 443 C4 G A 17 12.610 -0.690 -4.935 1.00 0.00 C ATOM 0 H5' G A 17 14.821 -5.901 -7.739 1.00 0.00 H new ATOM 0 H5'' G A 17 16.388 -5.124 -7.841 1.00 0.00 H new ATOM 0 H4' G A 17 14.668 -3.934 -8.998 1.00 0.00 H new ATOM 0 H3' G A 17 16.039 -2.434 -6.726 1.00 0.00 H new ATOM 0 H2' G A 17 14.674 -0.446 -7.265 1.00 0.00 H new ATOM 0 HO2' G A 17 14.752 -1.146 -9.650 1.00 0.00 H new ATOM 0 H1' G A 17 12.314 -1.706 -7.401 1.00 0.00 H new ATOM 0 H8 G A 17 13.332 -3.829 -4.628 1.00 0.00 H new ATOM 0 H1 G A 17 11.601 2.032 -2.714 1.00 0.00 H new ATOM 0 H21 G A 17 11.837 3.109 -5.983 1.00 0.00 H new ATOM 0 H22 G A 17 11.489 3.468 -4.288 1.00 0.00 H new ATOM 455 P C A 18 17.925 -1.607 -8.283 1.00 0.00 P ATOM 456 OP1 C A 18 18.768 -1.614 -9.502 1.00 0.00 O ATOM 457 OP2 C A 18 18.476 -2.301 -7.096 1.00 0.00 O ATOM 458 O5' C A 18 17.585 -0.110 -7.872 1.00 0.00 O ATOM 459 C5' C A 18 17.190 0.876 -8.823 1.00 0.00 C ATOM 460 C4' C A 18 16.743 2.201 -8.152 1.00 0.00 C ATOM 461 O4' C A 18 15.536 2.012 -7.344 1.00 0.00 O ATOM 462 C3' C A 18 17.767 2.807 -7.196 1.00 0.00 C ATOM 463 O3' C A 18 18.710 3.641 -7.866 1.00 0.00 O ATOM 464 C2' C A 18 16.940 3.526 -6.129 1.00 0.00 C ATOM 465 O2' C A 18 16.682 4.902 -6.407 1.00 0.00 O ATOM 466 C1' C A 18 15.627 2.727 -6.093 1.00 0.00 C ATOM 467 N1 C A 18 15.505 1.847 -4.889 1.00 0.00 N ATOM 468 C2 C A 18 15.173 2.417 -3.597 1.00 0.00 C ATOM 469 O2 C A 18 14.974 3.636 -3.429 1.00 0.00 O ATOM 470 N3 C A 18 15.078 1.559 -2.519 1.00 0.00 N ATOM 471 C4 C A 18 15.284 0.219 -2.656 1.00 0.00 C ATOM 472 N4 C A 18 15.193 -0.645 -1.605 1.00 0.00 N ATOM 473 C5 C A 18 15.609 -0.320 -3.950 1.00 0.00 C ATOM 474 C6 C A 18 15.705 0.500 -4.989 1.00 0.00 C ATOM 0 H5' C A 18 16.372 0.485 -9.429 1.00 0.00 H new ATOM 0 H5'' C A 18 18.020 1.077 -9.500 1.00 0.00 H new ATOM 0 H4' C A 18 16.589 2.868 -9.000 1.00 0.00 H new ATOM 0 H3' C A 18 18.401 2.049 -6.737 1.00 0.00 H new ATOM 0 H2' C A 18 17.479 3.554 -5.182 1.00 0.00 H new ATOM 0 HO2' C A 18 17.259 5.201 -7.140 1.00 0.00 H new ATOM 0 HO3' C A 18 19.344 4.007 -7.214 1.00 0.00 H new ATOM 0 H1' C A 18 14.777 3.402 -5.991 1.00 0.00 H new ATOM 0 H41 C A 18 15.354 -1.642 -1.749 1.00 0.00 H new ATOM 0 H42 C A 18 14.963 -0.294 -0.675 1.00 0.00 H new ATOM 0 H5 C A 18 15.773 -1.380 -4.074 1.00 0.00 H new ATOM 0 H6 C A 18 15.952 0.084 -5.955 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.089 1.795 5.717 1.00 0.00 N ATOM 489 CA ASN B 1 9.372 1.492 4.444 1.00 0.00 C ATOM 490 C ASN B 1 8.102 2.321 4.320 1.00 0.00 C ATOM 491 O ASN B 1 7.432 2.602 5.322 1.00 0.00 O ATOM 492 CB ASN B 1 9.076 -0.042 4.354 1.00 0.00 C ATOM 493 CG ASN B 1 9.033 -0.576 2.907 1.00 0.00 C ATOM 494 OD1 ASN B 1 10.012 -1.182 2.448 1.00 0.00 O ATOM 495 ND2 ASN B 1 7.889 -0.370 2.186 1.00 0.00 N ATOM 0 H1 ASN B 1 10.894 1.146 5.825 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.435 2.776 5.696 1.00 0.00 H new ATOM 0 H3 ASN B 1 9.438 1.675 6.519 1.00 0.00 H new ATOM 0 HA ASN B 1 10.011 1.765 3.604 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.840 -0.585 4.911 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.121 -0.249 4.838 1.00 0.00 H new ATOM 0 HD21 ASN B 1 7.818 -0.721 1.231 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.107 0.134 2.604 1.00 0.00 H new ATOM 503 N ALA B 2 7.750 2.726 3.062 1.00 0.00 N ATOM 504 CA ALA B 2 6.572 3.507 2.733 1.00 0.00 C ATOM 505 C ALA B 2 5.391 2.575 2.550 1.00 0.00 C ATOM 506 O ALA B 2 5.056 2.141 1.441 1.00 0.00 O ATOM 507 CB ALA B 2 6.753 4.450 1.535 1.00 0.00 C ATOM 0 H ALA B 2 8.312 2.498 2.242 1.00 0.00 H new ATOM 0 HA ALA B 2 6.385 4.177 3.572 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.826 4.995 1.358 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.555 5.157 1.747 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.007 3.868 0.649 1.00 0.00 H new ATOM 513 N LYS B 3 4.749 2.259 3.708 1.00 0.00 N ATOM 514 CA LYS B 3 3.577 1.426 3.856 1.00 0.00 C ATOM 515 C LYS B 3 2.379 2.365 3.887 1.00 0.00 C ATOM 516 O LYS B 3 1.557 2.291 2.977 1.00 0.00 O ATOM 517 CB LYS B 3 3.602 0.449 5.082 1.00 0.00 C ATOM 518 CG LYS B 3 4.711 -0.641 5.081 1.00 0.00 C ATOM 519 CD LYS B 3 4.642 -1.687 3.939 1.00 0.00 C ATOM 520 CE LYS B 3 5.787 -2.720 3.953 1.00 0.00 C ATOM 521 NZ LYS B 3 5.693 -3.637 2.793 1.00 0.00 N ATOM 0 H LYS B 3 5.077 2.614 4.606 1.00 0.00 H new ATOM 0 HA LYS B 3 3.529 0.738 3.012 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.709 1.044 5.989 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.634 -0.049 5.140 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.680 -0.144 5.032 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.672 -1.170 6.033 1.00 0.00 H new ATOM 0 HD2 LYS B 3 3.691 -2.216 4.004 1.00 0.00 H new ATOM 0 HD3 LYS B 3 4.652 -1.164 2.983 1.00 0.00 H new ATOM 0 HE2 LYS B 3 6.747 -2.204 3.935 1.00 0.00 H new ATOM 0 HE3 LYS B 3 5.751 -3.295 4.879 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 6.645 -3.819 2.417 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.262 -4.534 3.094 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 5.106 -3.202 2.053 1.00 0.00 H new ATOM 535 N THR B 4 2.276 3.281 4.907 1.00 0.00 N ATOM 536 CA THR B 4 1.198 4.256 5.105 1.00 0.00 C ATOM 537 C THR B 4 1.121 5.326 4.024 1.00 0.00 C ATOM 538 O THR B 4 0.016 5.614 3.567 1.00 0.00 O ATOM 539 CB THR B 4 1.096 4.915 6.497 1.00 0.00 C ATOM 540 OG1 THR B 4 2.342 5.441 6.946 1.00 0.00 O ATOM 541 CG2 THR B 4 0.508 3.918 7.531 1.00 0.00 C ATOM 0 H THR B 4 2.987 3.345 5.636 1.00 0.00 H new ATOM 0 HA THR B 4 0.329 3.603 5.025 1.00 0.00 H new ATOM 0 HB THR B 4 0.417 5.762 6.401 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.226 5.849 7.830 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.444 4.401 8.506 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.488 3.609 7.213 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.154 3.043 7.601 1.00 0.00 H new ATOM 549 N ARG B 5 2.267 5.919 3.582 1.00 0.00 N ATOM 550 CA ARG B 5 2.346 6.940 2.538 1.00 0.00 C ATOM 551 C ARG B 5 1.738 6.452 1.221 1.00 0.00 C ATOM 552 O ARG B 5 0.906 7.160 0.644 1.00 0.00 O ATOM 553 CB ARG B 5 3.792 7.491 2.349 1.00 0.00 C ATOM 554 CG ARG B 5 4.423 8.278 3.531 1.00 0.00 C ATOM 555 CD ARG B 5 3.589 9.368 4.243 1.00 0.00 C ATOM 556 NE ARG B 5 2.716 8.721 5.297 1.00 0.00 N ATOM 557 CZ ARG B 5 1.773 9.350 6.070 1.00 0.00 C ATOM 558 NH1 ARG B 5 1.489 10.681 5.968 1.00 0.00 N ATOM 559 NH2 ARG B 5 1.095 8.588 6.982 1.00 0.00 N ATOM 0 H ARG B 5 3.181 5.680 3.966 1.00 0.00 H new ATOM 0 HA ARG B 5 1.742 7.781 2.878 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.445 6.649 2.120 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.792 8.142 1.474 1.00 0.00 H new ATOM 0 HG2 ARG B 5 4.725 7.551 4.285 1.00 0.00 H new ATOM 0 HG3 ARG B 5 5.333 8.750 3.162 1.00 0.00 H new ATOM 0 HD2 ARG B 5 4.248 10.104 4.702 1.00 0.00 H new ATOM 0 HD3 ARG B 5 2.972 9.900 3.519 1.00 0.00 H new ATOM 0 HE ARG B 5 2.841 7.720 5.447 1.00 0.00 H new ATOM 0 HH11 ARG B 5 1.988 11.259 5.292 1.00 0.00 H new ATOM 0 HH12 ARG B 5 0.777 11.098 6.568 1.00 0.00 H new ATOM 0 HH21 ARG B 5 1.299 7.592 7.067 1.00 0.00 H new ATOM 0 HH22 ARG B 5 0.385 9.016 7.577 1.00 0.00 H new ATOM 573 N ARG B 6 2.088 5.208 0.768 1.00 0.00 N ATOM 574 CA ARG B 6 1.534 4.535 -0.398 1.00 0.00 C ATOM 575 C ARG B 6 0.057 4.206 -0.123 1.00 0.00 C ATOM 576 O ARG B 6 -0.791 4.551 -0.950 1.00 0.00 O ATOM 577 CB ARG B 6 2.351 3.265 -0.795 1.00 0.00 C ATOM 578 CG ARG B 6 1.667 2.323 -1.818 1.00 0.00 C ATOM 579 CD ARG B 6 2.558 1.189 -2.317 1.00 0.00 C ATOM 580 NE ARG B 6 1.705 0.069 -2.842 1.00 0.00 N ATOM 581 CZ ARG B 6 1.346 -0.127 -4.148 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.441 0.854 -5.091 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.866 -1.351 -4.524 1.00 0.00 N ATOM 0 H ARG B 6 2.794 4.645 1.241 1.00 0.00 H new ATOM 0 HA ARG B 6 1.601 5.203 -1.256 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.309 3.585 -1.206 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.566 2.696 0.109 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.775 1.895 -1.361 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.335 2.913 -2.673 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.221 1.553 -3.102 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.191 0.828 -1.507 1.00 0.00 H new ATOM 0 HE ARG B 6 1.361 -0.609 -2.161 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.791 1.777 -4.833 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.162 0.665 -6.054 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.781 -2.099 -3.836 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.593 -1.516 -5.493 1.00 0.00 H new ATOM 597 N HIS B 7 -0.261 3.533 1.039 1.00 0.00 N ATOM 598 CA HIS B 7 -1.570 3.128 1.526 1.00 0.00 C ATOM 599 C HIS B 7 -2.585 4.240 1.339 1.00 0.00 C ATOM 600 O HIS B 7 -3.545 3.989 0.636 1.00 0.00 O ATOM 601 CB HIS B 7 -1.557 2.620 2.996 1.00 0.00 C ATOM 602 CG HIS B 7 -2.881 2.187 3.557 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.224 0.881 3.762 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.913 2.942 3.997 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.428 0.851 4.310 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.864 2.088 4.474 1.00 0.00 N ATOM 0 H HIS B 7 0.474 3.252 1.688 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.869 2.274 0.919 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.865 1.780 3.063 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.159 3.413 3.629 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -2.651 0.069 3.532 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.973 4.020 3.975 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.969 -0.043 4.581 1.00 0.00 H new ATOM 615 N GLU B 8 -2.391 5.474 1.904 1.00 0.00 N ATOM 616 CA GLU B 8 -3.236 6.668 1.789 1.00 0.00 C ATOM 617 C GLU B 8 -3.896 6.826 0.402 1.00 0.00 C ATOM 618 O GLU B 8 -5.126 6.878 0.318 1.00 0.00 O ATOM 619 CB GLU B 8 -2.443 7.973 2.152 1.00 0.00 C ATOM 620 CG GLU B 8 -2.198 8.219 3.661 1.00 0.00 C ATOM 621 CD GLU B 8 -1.373 9.494 3.872 1.00 0.00 C ATOM 622 OE1 GLU B 8 -0.196 9.534 3.419 1.00 0.00 O ATOM 623 OE2 GLU B 8 -1.911 10.446 4.500 1.00 0.00 O ATOM 0 H GLU B 8 -1.576 5.653 2.490 1.00 0.00 H new ATOM 0 HA GLU B 8 -4.039 6.521 2.512 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.477 7.940 1.648 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.985 8.828 1.748 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.152 8.306 4.181 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.676 7.366 4.094 1.00 0.00 H new ATOM 630 N ARG B 9 -3.084 6.872 -0.700 1.00 0.00 N ATOM 631 CA ARG B 9 -3.485 7.004 -2.104 1.00 0.00 C ATOM 632 C ARG B 9 -4.310 5.800 -2.585 1.00 0.00 C ATOM 633 O ARG B 9 -5.439 5.968 -3.044 1.00 0.00 O ATOM 634 CB ARG B 9 -2.313 7.259 -3.126 1.00 0.00 C ATOM 635 CG ARG B 9 -0.991 7.885 -2.610 1.00 0.00 C ATOM 636 CD ARG B 9 -1.035 9.327 -2.079 1.00 0.00 C ATOM 637 NE ARG B 9 0.349 9.650 -1.562 1.00 0.00 N ATOM 638 CZ ARG B 9 0.661 10.575 -0.598 1.00 0.00 C ATOM 639 NH1 ARG B 9 -0.272 11.386 -0.018 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.967 10.686 -0.204 1.00 0.00 N ATOM 0 H ARG B 9 -2.070 6.813 -0.605 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.095 7.907 -2.099 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.066 6.304 -3.589 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.698 7.906 -3.914 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -0.608 7.247 -1.813 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -0.265 7.850 -3.423 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.323 10.020 -2.869 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.776 9.423 -1.285 1.00 0.00 H new ATOM 0 HE ARG B 9 1.126 9.130 -1.970 1.00 0.00 H new ATOM 0 HH11 ARG B 9 -1.251 11.319 -0.298 1.00 0.00 H new ATOM 0 HH12 ARG B 9 0.010 12.059 0.695 1.00 0.00 H new ATOM 0 HH21 ARG B 9 2.679 10.090 -0.625 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.228 11.365 0.511 1.00 0.00 H new ATOM 654 N ARG B 10 -3.745 4.558 -2.479 1.00 0.00 N ATOM 655 CA ARG B 10 -4.300 3.261 -2.860 1.00 0.00 C ATOM 656 C ARG B 10 -5.612 2.933 -2.128 1.00 0.00 C ATOM 657 O ARG B 10 -6.562 2.492 -2.773 1.00 0.00 O ATOM 658 CB ARG B 10 -3.193 2.180 -2.623 1.00 0.00 C ATOM 659 CG ARG B 10 -3.445 0.731 -3.107 1.00 0.00 C ATOM 660 CD ARG B 10 -2.202 -0.168 -2.913 1.00 0.00 C ATOM 661 NE ARG B 10 -2.489 -1.602 -3.287 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.371 -2.167 -4.531 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.121 -1.448 -5.664 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.516 -3.521 -4.620 1.00 0.00 N ATOM 0 H ARG B 10 -2.809 4.453 -2.088 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.577 3.280 -3.914 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.280 2.533 -3.102 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.996 2.140 -1.552 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.288 0.308 -2.561 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.722 0.744 -4.161 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.381 0.210 -3.522 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.877 -0.121 -1.874 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.804 -2.215 -2.535 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.012 -0.435 -5.612 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.043 -1.923 -6.563 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.704 -4.070 -3.781 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.436 -3.984 -5.525 1.00 0.00 H new ATOM 678 N ARG B 11 -5.697 3.181 -0.782 1.00 0.00 N ATOM 679 CA ARG B 11 -6.803 3.042 0.151 1.00 0.00 C ATOM 680 C ARG B 11 -8.018 3.733 -0.431 1.00 0.00 C ATOM 681 O ARG B 11 -9.018 3.053 -0.622 1.00 0.00 O ATOM 682 CB ARG B 11 -6.430 3.568 1.560 1.00 0.00 C ATOM 683 CG ARG B 11 -7.471 3.346 2.667 1.00 0.00 C ATOM 684 CD ARG B 11 -7.422 4.382 3.786 1.00 0.00 C ATOM 685 NE ARG B 11 -8.286 3.858 4.906 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.306 4.316 6.198 1.00 0.00 C ATOM 687 NH1 ARG B 11 -7.607 5.414 6.611 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.063 3.627 7.106 1.00 0.00 N ATOM 0 H ARG B 11 -4.872 3.526 -0.291 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.039 1.987 0.289 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.498 3.093 1.867 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.233 4.637 1.485 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.466 3.355 2.222 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.323 2.355 3.097 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.398 4.534 4.127 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.788 5.347 3.435 1.00 0.00 H new ATOM 0 HE ARG B 11 -8.916 3.088 4.680 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.036 5.935 5.946 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -7.656 5.713 7.585 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.587 2.803 6.812 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -9.103 3.937 8.077 1.00 0.00 H new ATOM 702 N LYS B 12 -7.943 5.063 -0.762 1.00 0.00 N ATOM 703 CA LYS B 12 -8.969 5.896 -1.380 1.00 0.00 C ATOM 704 C LYS B 12 -9.714 5.141 -2.492 1.00 0.00 C ATOM 705 O LYS B 12 -10.933 4.978 -2.406 1.00 0.00 O ATOM 706 CB LYS B 12 -8.313 7.227 -1.871 1.00 0.00 C ATOM 707 CG LYS B 12 -9.225 8.329 -2.453 1.00 0.00 C ATOM 708 CD LYS B 12 -8.423 9.555 -2.955 1.00 0.00 C ATOM 709 CE LYS B 12 -9.283 10.654 -3.603 1.00 0.00 C ATOM 710 NZ LYS B 12 -8.436 11.774 -4.077 1.00 0.00 N ATOM 0 H LYS B 12 -7.092 5.596 -0.581 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.733 6.148 -0.645 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.768 7.657 -1.031 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -7.575 6.972 -2.632 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.807 7.917 -3.277 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -9.935 8.650 -1.690 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -7.877 9.985 -2.116 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.681 9.217 -3.678 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -9.844 10.237 -4.439 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -10.013 11.024 -2.882 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -9.037 12.504 -4.511 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -7.920 12.183 -3.272 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -7.757 11.422 -4.781 1.00 0.00 H new ATOM 724 N LEU B 13 -8.971 4.626 -3.517 1.00 0.00 N ATOM 725 CA LEU B 13 -9.460 3.840 -4.641 1.00 0.00 C ATOM 726 C LEU B 13 -10.048 2.506 -4.232 1.00 0.00 C ATOM 727 O LEU B 13 -11.187 2.229 -4.603 1.00 0.00 O ATOM 728 CB LEU B 13 -8.452 3.693 -5.795 1.00 0.00 C ATOM 729 CG LEU B 13 -8.120 5.033 -6.528 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.311 6.029 -6.729 1.00 0.00 C ATOM 731 CD2 LEU B 13 -6.844 5.709 -5.961 1.00 0.00 C ATOM 0 H LEU B 13 -7.962 4.769 -3.563 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.281 4.436 -5.040 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.528 3.267 -5.404 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -8.848 2.983 -6.521 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.902 4.722 -7.550 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.957 6.920 -7.248 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.090 5.550 -7.321 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -9.716 6.312 -5.758 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -6.653 6.636 -6.501 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -6.988 5.928 -4.903 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.993 5.038 -6.080 1.00 0.00 H new ATOM 743 N ALA B 14 -9.301 1.678 -3.442 1.00 0.00 N ATOM 744 CA ALA B 14 -9.698 0.384 -2.905 1.00 0.00 C ATOM 745 C ALA B 14 -11.023 0.449 -2.186 1.00 0.00 C ATOM 746 O ALA B 14 -11.877 -0.404 -2.447 1.00 0.00 O ATOM 747 CB ALA B 14 -8.669 -0.207 -1.929 1.00 0.00 C ATOM 0 H ALA B 14 -8.354 1.931 -3.160 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.774 -0.261 -3.781 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.025 -1.171 -1.565 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.717 -0.342 -2.442 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.535 0.472 -1.087 1.00 0.00 H new ATOM 753 N ILE B 15 -11.232 1.483 -1.296 1.00 0.00 N ATOM 754 CA ILE B 15 -12.479 1.683 -0.598 1.00 0.00 C ATOM 755 C ILE B 15 -13.559 1.954 -1.639 1.00 0.00 C ATOM 756 O ILE B 15 -14.551 1.227 -1.671 1.00 0.00 O ATOM 757 CB ILE B 15 -12.639 2.719 0.546 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.439 2.931 1.518 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.902 2.271 1.322 1.00 0.00 C ATOM 760 CD1 ILE B 15 -10.956 4.375 1.471 1.00 0.00 C ATOM 0 H ILE B 15 -10.520 2.177 -1.070 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.548 0.753 -0.033 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.708 3.703 0.082 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.738 2.675 2.534 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.623 2.261 1.248 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.082 2.956 2.150 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.762 2.277 0.652 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.752 1.264 1.711 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.118 4.501 2.157 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.636 4.619 0.458 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.768 5.040 1.764 1.00 0.00 H new ATOM 772 N GLU B 16 -13.381 3.013 -2.489 1.00 0.00 N ATOM 773 CA GLU B 16 -14.310 3.449 -3.509 1.00 0.00 C ATOM 774 C GLU B 16 -14.792 2.326 -4.469 1.00 0.00 C ATOM 775 O GLU B 16 -15.917 2.409 -4.969 1.00 0.00 O ATOM 776 CB GLU B 16 -13.710 4.668 -4.307 1.00 0.00 C ATOM 777 CG GLU B 16 -14.707 5.473 -5.176 1.00 0.00 C ATOM 778 CD GLU B 16 -14.002 6.648 -5.862 1.00 0.00 C ATOM 779 OE1 GLU B 16 -13.628 7.623 -5.154 1.00 0.00 O ATOM 780 OE2 GLU B 16 -13.837 6.589 -7.110 1.00 0.00 O ATOM 0 H GLU B 16 -12.541 3.591 -2.457 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.209 3.765 -2.980 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.248 5.351 -3.594 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.915 4.296 -4.953 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -15.151 4.820 -5.927 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -15.522 5.844 -4.554 1.00 0.00 H new ATOM 787 N ARG B 17 -13.988 1.235 -4.711 1.00 0.00 N ATOM 788 CA ARG B 17 -14.344 0.050 -5.504 1.00 0.00 C ATOM 789 C ARG B 17 -15.591 -0.603 -4.878 1.00 0.00 C ATOM 790 O ARG B 17 -16.587 -0.833 -5.568 1.00 0.00 O ATOM 791 CB ARG B 17 -13.218 -1.033 -5.630 1.00 0.00 C ATOM 792 CG ARG B 17 -11.942 -0.642 -6.419 1.00 0.00 C ATOM 793 CD ARG B 17 -10.909 -1.776 -6.651 1.00 0.00 C ATOM 794 NE ARG B 17 -10.426 -2.346 -5.331 1.00 0.00 N ATOM 795 CZ ARG B 17 -9.146 -2.741 -5.027 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.101 -2.632 -5.897 1.00 0.00 N ATOM 797 NH2 ARG B 17 -8.905 -3.259 -3.784 1.00 0.00 N ATOM 0 H ARG B 17 -13.042 1.176 -4.335 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.521 0.411 -6.517 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.917 -1.325 -4.624 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.650 -1.915 -6.102 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.245 -0.250 -7.390 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.446 0.171 -5.888 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -11.360 -2.567 -7.250 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.061 -1.391 -7.217 1.00 0.00 H new ATOM 0 HE ARG B 17 -11.123 -2.446 -4.593 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.250 -2.241 -6.827 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.170 -2.942 -5.617 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -9.666 -3.344 -3.110 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -7.964 -3.561 -3.531 1.00 0.00 H new ATOM 811 N ASP B 18 -15.534 -0.860 -3.537 1.00 0.00 N ATOM 812 CA ASP B 18 -16.548 -1.413 -2.651 1.00 0.00 C ATOM 813 C ASP B 18 -17.753 -0.478 -2.487 1.00 0.00 C ATOM 814 O ASP B 18 -18.888 -0.945 -2.603 1.00 0.00 O ATOM 815 CB ASP B 18 -15.972 -1.782 -1.239 1.00 0.00 C ATOM 816 CG ASP B 18 -14.901 -2.880 -1.315 1.00 0.00 C ATOM 817 OD1 ASP B 18 -15.255 -4.041 -1.655 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.716 -2.567 -1.024 1.00 0.00 O ATOM 0 H ASP B 18 -14.679 -0.656 -3.019 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.886 -2.329 -3.135 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.544 -0.891 -0.780 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.785 -2.114 -0.593 1.00 0.00 H new ATOM 823 N THR B 19 -17.513 0.845 -2.212 1.00 0.00 N ATOM 824 CA THR B 19 -18.475 1.935 -1.998 1.00 0.00 C ATOM 825 C THR B 19 -19.646 1.891 -3.015 1.00 0.00 C ATOM 826 O THR B 19 -19.392 1.929 -4.250 1.00 0.00 O ATOM 827 CB THR B 19 -17.890 3.370 -1.938 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.419 3.846 -3.186 1.00 0.00 O ATOM 829 CG2 THR B 19 -16.868 3.582 -0.796 1.00 0.00 C ATOM 830 OXT THR B 19 -20.814 1.805 -2.549 1.00 0.00 O ATOM 0 H THR B 19 -16.555 1.185 -2.132 1.00 0.00 H new ATOM 0 HA THR B 19 -18.841 1.730 -0.992 1.00 0.00 H new ATOM 0 HB THR B 19 -18.745 3.998 -1.686 1.00 0.00 H new ATOM 0 HG1 THR B 19 -17.046 3.100 -3.701 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.504 4.609 -0.819 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.349 3.389 0.163 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.030 2.897 -0.926 1.00 0.00 H new TER 838 THR B 19