USER MOD reduce.3.24.130724 H: found=0, std=0, add=348, rem=0, adj=20 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 149:sc= -0.692 USER MOD Set 1.2: B 7 HIS : no HD1:sc= -2.21 K(o=-2.9,f=-0.045) 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 -16:sc= 0.033 USER MOD Single : A 6 G O2' : rot -15:sc= 0.061 USER MOD Single : A 7 C O2' : rot -119:sc= 0.654 USER MOD Single : A 8 U O2' : rot -13:sc= 0.0756 USER MOD Single : A 9 G O2' : rot -98:sc= 0.28 USER MOD Single : A 10 A O2' : rot -103:sc= 0.286 USER MOD Single : A 12 A O2' : rot -25:sc= 0.0267 USER MOD Single : A 13 A O2' : rot -30:sc= 0.0224 USER MOD Single : A 14 A O2' : rot -17:sc= 0.0199 USER MOD Single : A 15 G O2' : rot -16:sc= 0.0526 USER MOD Single : A 16 C O2' : rot 180:sc= 0 USER MOD Single : A 17 G O2' : rot -20:sc= 0.0297 USER MOD Single : A 18 C O2' : rot -19:sc= 0.052 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0574 USER MOD Single : B 1 ASN : amide:sc= -1.06 K(o=-1.1,f=0.17) USER MOD Single : B 1 ASN N :NH3+ -106:sc= 0.738 (180deg=0.0482) USER MOD Single : B 3 LYS NZ :NH3+ 180:sc= -0.24 (180deg=-0.24) 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 -71:sc= -0.488 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 10.046 6.821 7.479 1.00 0.00 O ATOM 2 C5' G A 4 11.077 5.976 6.983 1.00 0.00 C ATOM 3 C4' G A 4 11.683 6.569 5.701 1.00 0.00 C ATOM 4 O4' G A 4 12.740 5.708 5.197 1.00 0.00 O ATOM 5 C3' G A 4 10.707 6.658 4.524 1.00 0.00 C ATOM 6 O3' G A 4 9.899 7.839 4.562 1.00 0.00 O ATOM 7 C2' G A 4 11.615 6.606 3.303 1.00 0.00 C ATOM 8 O2' G A 4 11.980 7.871 2.746 1.00 0.00 O ATOM 9 C1' G A 4 12.846 5.858 3.772 1.00 0.00 C ATOM 10 N9 G A 4 13.055 4.566 3.085 1.00 0.00 N ATOM 11 C8 G A 4 12.945 3.333 3.605 1.00 0.00 C ATOM 12 N7 G A 4 13.204 2.354 2.772 1.00 0.00 N ATOM 13 C5 G A 4 13.507 2.992 1.593 1.00 0.00 C ATOM 14 C6 G A 4 13.861 2.431 0.358 1.00 0.00 C ATOM 15 O6 G A 4 13.971 1.221 0.134 1.00 0.00 O ATOM 16 N1 G A 4 14.094 3.439 -0.626 1.00 0.00 N ATOM 17 C2 G A 4 13.997 4.828 -0.427 1.00 0.00 C ATOM 18 N2 G A 4 14.274 5.539 -1.557 1.00 0.00 N ATOM 19 N3 G A 4 13.654 5.325 0.790 1.00 0.00 N ATOM 20 C4 G A 4 13.425 4.376 1.742 1.00 0.00 C ATOM 0 H5' G A 4 10.676 4.983 6.778 1.00 0.00 H new ATOM 0 H5'' G A 4 11.853 5.856 7.739 1.00 0.00 H new ATOM 0 H4' G A 4 12.012 7.563 6.005 1.00 0.00 H new ATOM 0 H3' G A 4 9.972 5.853 4.532 1.00 0.00 H new ATOM 0 H2' G A 4 11.080 6.124 2.485 1.00 0.00 H new ATOM 0 HO2' G A 4 12.563 7.731 1.970 1.00 0.00 H new ATOM 0 HO5' G A 4 9.667 6.431 8.294 1.00 0.00 H new ATOM 0 H1' G A 4 13.733 6.435 3.513 1.00 0.00 H new ATOM 0 H8 G A 4 12.664 3.160 4.633 1.00 0.00 H new ATOM 0 H1 G A 4 14.355 3.122 -1.560 1.00 0.00 H new ATOM 0 H21 G A 4 14.237 6.558 -1.540 1.00 0.00 H new ATOM 0 H22 G A 4 14.518 5.052 -2.419 1.00 0.00 H new ATOM 33 P C A 5 8.474 7.939 3.873 1.00 0.00 P ATOM 34 OP1 C A 5 7.953 9.299 4.146 1.00 0.00 O ATOM 35 OP2 C A 5 7.639 6.804 4.330 1.00 0.00 O ATOM 36 O5' C A 5 8.755 7.762 2.308 1.00 0.00 O ATOM 37 C5' C A 5 9.067 8.862 1.457 1.00 0.00 C ATOM 38 C4' C A 5 9.203 8.498 -0.051 1.00 0.00 C ATOM 39 O4' C A 5 10.435 7.763 -0.368 1.00 0.00 O ATOM 40 C3' C A 5 8.071 7.668 -0.664 1.00 0.00 C ATOM 41 O3' C A 5 6.920 8.466 -0.961 1.00 0.00 O ATOM 42 C2' C A 5 8.751 7.027 -1.888 1.00 0.00 C ATOM 43 O2' C A 5 8.746 7.865 -3.042 1.00 0.00 O ATOM 44 C1' C A 5 10.179 6.758 -1.383 1.00 0.00 C ATOM 45 N1 C A 5 10.362 5.375 -0.831 1.00 0.00 N ATOM 46 C2 C A 5 10.694 4.291 -1.719 1.00 0.00 C ATOM 47 O2 C A 5 10.834 4.448 -2.946 1.00 0.00 O ATOM 48 N3 C A 5 10.860 3.038 -1.171 1.00 0.00 N ATOM 49 C4 C A 5 10.722 2.811 0.161 1.00 0.00 C ATOM 50 N4 C A 5 10.873 1.557 0.670 1.00 0.00 N ATOM 51 C5 C A 5 10.394 3.908 1.046 1.00 0.00 C ATOM 52 C6 C A 5 10.225 5.122 0.514 1.00 0.00 C ATOM 0 H5' C A 5 10.001 9.312 1.794 1.00 0.00 H new ATOM 0 H5'' C A 5 8.291 9.620 1.566 1.00 0.00 H new ATOM 0 H4' C A 5 9.188 9.497 -0.487 1.00 0.00 H new ATOM 0 H3' C A 5 7.654 6.912 0.002 1.00 0.00 H new ATOM 0 H2' C A 5 8.229 6.132 -2.227 1.00 0.00 H new ATOM 0 HO2' C A 5 8.091 8.584 -2.921 1.00 0.00 H new ATOM 0 H1' C A 5 10.885 6.819 -2.211 1.00 0.00 H new ATOM 0 H41 C A 5 10.767 1.397 1.672 1.00 0.00 H new ATOM 0 H42 C A 5 11.092 0.778 0.049 1.00 0.00 H new ATOM 0 H5 C A 5 10.289 3.750 2.109 1.00 0.00 H new ATOM 0 H6 C A 5 9.969 5.941 1.170 1.00 0.00 H new ATOM 64 P G A 6 5.481 7.845 -1.243 1.00 0.00 P ATOM 65 OP1 G A 6 4.492 8.946 -1.236 1.00 0.00 O ATOM 66 OP2 G A 6 5.226 6.718 -0.313 1.00 0.00 O ATOM 67 O5' G A 6 5.644 7.335 -2.742 1.00 0.00 O ATOM 68 C5' G A 6 5.152 6.072 -3.169 1.00 0.00 C ATOM 69 C4' G A 6 5.846 5.649 -4.481 1.00 0.00 C ATOM 70 O4' G A 6 7.225 5.225 -4.224 1.00 0.00 O ATOM 71 C3' G A 6 5.189 4.447 -5.163 1.00 0.00 C ATOM 72 O3' G A 6 4.229 4.873 -6.136 1.00 0.00 O ATOM 73 C2' G A 6 6.356 3.669 -5.788 1.00 0.00 C ATOM 74 O2' G A 6 6.738 4.149 -7.079 1.00 0.00 O ATOM 75 C1' G A 6 7.476 3.927 -4.775 1.00 0.00 C ATOM 76 N9 G A 6 7.727 2.918 -3.701 1.00 0.00 N ATOM 77 C8 G A 6 7.614 3.063 -2.350 1.00 0.00 C ATOM 78 N7 G A 6 7.951 2.014 -1.647 1.00 0.00 N ATOM 79 C5 G A 6 8.317 1.087 -2.582 1.00 0.00 C ATOM 80 C6 G A 6 8.765 -0.219 -2.373 1.00 0.00 C ATOM 81 O6 G A 6 8.916 -0.751 -1.270 1.00 0.00 O ATOM 82 N1 G A 6 9.042 -0.877 -3.601 1.00 0.00 N ATOM 83 C2 G A 6 8.902 -0.326 -4.889 1.00 0.00 C ATOM 84 N2 G A 6 9.228 -1.203 -5.879 1.00 0.00 N ATOM 85 N3 G A 6 8.466 0.953 -5.046 1.00 0.00 N ATOM 86 C4 G A 6 8.192 1.600 -3.877 1.00 0.00 C ATOM 0 H5' G A 6 4.074 6.125 -3.319 1.00 0.00 H new ATOM 0 H5'' G A 6 5.330 5.324 -2.397 1.00 0.00 H new ATOM 0 H4' G A 6 5.778 6.530 -5.119 1.00 0.00 H new ATOM 0 H3' G A 6 4.627 3.823 -4.469 1.00 0.00 H new ATOM 0 H2' G A 6 6.109 2.621 -5.959 1.00 0.00 H new ATOM 0 HO2' G A 6 6.032 4.729 -7.434 1.00 0.00 H new ATOM 0 H1' G A 6 8.409 3.848 -5.333 1.00 0.00 H new ATOM 0 H8 G A 6 7.270 3.979 -1.893 1.00 0.00 H new ATOM 0 H1 G A 6 9.374 -1.840 -3.544 1.00 0.00 H new ATOM 0 H21 G A 6 9.165 -0.916 -6.856 1.00 0.00 H new ATOM 0 H22 G A 6 9.535 -2.147 -5.644 1.00 0.00 H new ATOM 98 P C A 7 2.867 4.097 -6.366 1.00 0.00 P ATOM 99 OP1 C A 7 2.172 4.694 -7.532 1.00 0.00 O ATOM 100 OP2 C A 7 2.113 4.052 -5.092 1.00 0.00 O ATOM 101 O5' C A 7 3.358 2.638 -6.713 1.00 0.00 O ATOM 102 C5' C A 7 3.804 2.192 -7.988 1.00 0.00 C ATOM 103 C4' C A 7 4.120 0.670 -7.993 1.00 0.00 C ATOM 104 O4' C A 7 5.372 0.364 -7.280 1.00 0.00 O ATOM 105 C3' C A 7 3.069 -0.165 -7.265 1.00 0.00 C ATOM 106 O3' C A 7 1.922 -0.436 -8.071 1.00 0.00 O ATOM 107 C2' C A 7 3.829 -1.391 -6.784 1.00 0.00 C ATOM 108 O2' C A 7 3.819 -2.493 -7.689 1.00 0.00 O ATOM 109 C1' C A 7 5.271 -0.912 -6.597 1.00 0.00 C ATOM 110 N1 C A 7 5.517 -0.833 -5.131 1.00 0.00 N ATOM 111 C2 C A 7 5.936 -2.011 -4.398 1.00 0.00 C ATOM 112 O2 C A 7 6.188 -3.093 -4.959 1.00 0.00 O ATOM 113 N3 C A 7 6.051 -1.914 -3.025 1.00 0.00 N ATOM 114 C4 C A 7 5.782 -0.750 -2.372 1.00 0.00 C ATOM 115 N4 C A 7 5.870 -0.662 -1.010 1.00 0.00 N ATOM 116 C5 C A 7 5.377 0.406 -3.141 1.00 0.00 C ATOM 117 C6 C A 7 5.266 0.322 -4.448 1.00 0.00 C ATOM 0 H5' C A 7 4.696 2.749 -8.276 1.00 0.00 H new ATOM 0 H5'' C A 7 3.040 2.406 -8.735 1.00 0.00 H new ATOM 0 H4' C A 7 4.166 0.423 -9.054 1.00 0.00 H new ATOM 0 H3' C A 7 2.621 0.358 -6.420 1.00 0.00 H new ATOM 0 H2' C A 7 3.354 -1.769 -5.879 1.00 0.00 H new ATOM 0 HO2' C A 7 3.398 -3.266 -7.258 1.00 0.00 H new ATOM 0 H1' C A 7 6.028 -1.575 -7.016 1.00 0.00 H new ATOM 0 H41 C A 7 5.664 0.220 -0.542 1.00 0.00 H new ATOM 0 H42 C A 7 6.142 -1.479 -0.463 1.00 0.00 H new ATOM 0 H5 C A 7 5.166 1.339 -2.641 1.00 0.00 H new ATOM 0 H6 C A 7 4.965 1.199 -5.002 1.00 0.00 H new ATOM 129 P U A 8 0.479 -0.787 -7.499 1.00 0.00 P ATOM 130 OP1 U A 8 -0.472 -0.813 -8.637 1.00 0.00 O ATOM 131 OP2 U A 8 0.141 0.144 -6.402 1.00 0.00 O ATOM 132 O5' U A 8 0.661 -2.266 -6.897 1.00 0.00 O ATOM 133 C5' U A 8 0.762 -3.350 -7.829 1.00 0.00 C ATOM 134 C4' U A 8 1.115 -4.728 -7.214 1.00 0.00 C ATOM 135 O4' U A 8 2.412 -4.801 -6.570 1.00 0.00 O ATOM 136 C3' U A 8 0.125 -5.311 -6.218 1.00 0.00 C ATOM 137 O3' U A 8 -0.968 -5.885 -6.936 1.00 0.00 O ATOM 138 C2' U A 8 0.967 -6.376 -5.491 1.00 0.00 C ATOM 139 O2' U A 8 1.035 -7.636 -6.164 1.00 0.00 O ATOM 140 C1' U A 8 2.368 -5.729 -5.462 1.00 0.00 C ATOM 141 N1 U A 8 2.747 -5.058 -4.173 1.00 0.00 N ATOM 142 C2 U A 8 2.983 -5.874 -3.011 1.00 0.00 C ATOM 143 O2 U A 8 2.897 -7.108 -2.975 1.00 0.00 O ATOM 144 N3 U A 8 3.337 -5.145 -1.850 1.00 0.00 N ATOM 145 C4 U A 8 3.473 -3.735 -1.741 1.00 0.00 C ATOM 146 O4 U A 8 3.779 -3.194 -0.677 1.00 0.00 O ATOM 147 C5 U A 8 3.215 -3.015 -2.971 1.00 0.00 C ATOM 148 C6 U A 8 2.876 -3.679 -4.092 1.00 0.00 C ATOM 0 H5' U A 8 1.519 -3.098 -8.572 1.00 0.00 H new ATOM 0 H5'' U A 8 -0.186 -3.440 -8.359 1.00 0.00 H new ATOM 0 H4' U A 8 1.095 -5.321 -8.128 1.00 0.00 H new ATOM 0 H3' U A 8 -0.312 -4.593 -5.524 1.00 0.00 H new ATOM 0 H2' U A 8 0.537 -6.618 -4.519 1.00 0.00 H new ATOM 0 HO2' U A 8 0.361 -7.664 -6.875 1.00 0.00 H new ATOM 0 H1' U A 8 3.109 -6.523 -5.549 1.00 0.00 H new ATOM 0 H3 U A 8 3.512 -5.688 -1.005 1.00 0.00 H new ATOM 0 H5 U A 8 3.295 -1.938 -2.989 1.00 0.00 H new ATOM 0 H6 U A 8 2.693 -3.101 -4.986 1.00 0.00 H new ATOM 159 P G A 9 -2.486 -5.695 -6.564 1.00 0.00 P ATOM 160 OP1 G A 9 -3.309 -6.476 -7.518 1.00 0.00 O ATOM 161 OP2 G A 9 -2.780 -4.249 -6.467 1.00 0.00 O ATOM 162 O5' G A 9 -2.562 -6.345 -5.121 1.00 0.00 O ATOM 163 C5' G A 9 -2.468 -7.758 -4.928 1.00 0.00 C ATOM 164 C4' G A 9 -2.412 -8.160 -3.431 1.00 0.00 C ATOM 165 O4' G A 9 -1.127 -7.829 -2.817 1.00 0.00 O ATOM 166 C3' G A 9 -3.452 -7.451 -2.565 1.00 0.00 C ATOM 167 O3' G A 9 -4.682 -8.155 -2.615 1.00 0.00 O ATOM 168 C2' G A 9 -2.830 -7.422 -1.169 1.00 0.00 C ATOM 169 O2' G A 9 -3.116 -8.594 -0.407 1.00 0.00 O ATOM 170 C1' G A 9 -1.315 -7.334 -1.476 1.00 0.00 C ATOM 171 N9 G A 9 -0.715 -5.962 -1.380 1.00 0.00 N ATOM 172 C8 G A 9 -0.451 -5.062 -2.376 1.00 0.00 C ATOM 173 N7 G A 9 0.064 -3.927 -1.975 1.00 0.00 N ATOM 174 C5 G A 9 0.161 -4.060 -0.622 1.00 0.00 C ATOM 175 C6 G A 9 0.648 -3.130 0.302 1.00 0.00 C ATOM 176 O6 G A 9 1.072 -2.010 0.014 1.00 0.00 O ATOM 177 N1 G A 9 0.589 -3.634 1.627 1.00 0.00 N ATOM 178 C2 G A 9 0.109 -4.899 2.003 1.00 0.00 C ATOM 179 N2 G A 9 0.172 -5.112 3.339 1.00 0.00 N ATOM 180 N3 G A 9 -0.359 -5.775 1.075 1.00 0.00 N ATOM 181 C4 G A 9 -0.310 -5.309 -0.202 1.00 0.00 C ATOM 0 H5' G A 9 -1.576 -8.130 -5.433 1.00 0.00 H new ATOM 0 H5'' G A 9 -3.325 -8.242 -5.397 1.00 0.00 H new ATOM 0 H4' G A 9 -2.595 -9.234 -3.455 1.00 0.00 H new ATOM 0 H3' G A 9 -3.688 -6.441 -2.899 1.00 0.00 H new ATOM 0 H2' G A 9 -3.218 -6.602 -0.565 1.00 0.00 H new ATOM 0 HO2' G A 9 -3.868 -8.417 0.196 1.00 0.00 H new ATOM 0 H1' G A 9 -0.803 -7.921 -0.713 1.00 0.00 H new ATOM 0 H8 G A 9 -0.652 -5.272 -3.416 1.00 0.00 H new ATOM 0 H1 G A 9 0.925 -3.024 2.372 1.00 0.00 H new ATOM 0 H21 G A 9 -0.150 -5.998 3.730 1.00 0.00 H new ATOM 0 H22 G A 9 0.541 -4.387 3.954 1.00 0.00 H new ATOM 193 P A A 10 -6.049 -7.678 -3.224 1.00 0.00 P ATOM 194 OP1 A A 10 -6.369 -8.531 -4.391 1.00 0.00 O ATOM 195 OP2 A A 10 -6.062 -6.211 -3.440 1.00 0.00 O ATOM 196 O5' A A 10 -6.974 -8.105 -2.016 1.00 0.00 O ATOM 197 C5' A A 10 -7.953 -7.286 -1.400 1.00 0.00 C ATOM 198 C4' A A 10 -7.593 -6.888 0.052 1.00 0.00 C ATOM 199 O4' A A 10 -7.284 -8.058 0.847 1.00 0.00 O ATOM 200 C3' A A 10 -6.379 -5.951 0.237 1.00 0.00 C ATOM 201 O3' A A 10 -6.797 -4.582 0.342 1.00 0.00 O ATOM 202 C2' A A 10 -5.650 -6.489 1.500 1.00 0.00 C ATOM 203 O2' A A 10 -5.556 -5.558 2.578 1.00 0.00 O ATOM 204 C1' A A 10 -6.535 -7.652 1.981 1.00 0.00 C ATOM 205 N9 A A 10 -5.797 -8.841 2.474 1.00 0.00 N ATOM 206 C8 A A 10 -5.126 -9.806 1.784 1.00 0.00 C ATOM 207 N7 A A 10 -4.595 -10.745 2.536 1.00 0.00 N ATOM 208 C5 A A 10 -4.935 -10.380 3.816 1.00 0.00 C ATOM 209 C6 A A 10 -4.648 -11.001 5.050 1.00 0.00 C ATOM 210 N6 A A 10 -3.926 -12.164 5.076 1.00 0.00 N ATOM 211 N1 A A 10 -5.154 -10.348 6.155 1.00 0.00 N ATOM 212 C2 A A 10 -5.855 -9.218 5.994 1.00 0.00 C ATOM 213 N3 A A 10 -6.171 -8.569 4.892 1.00 0.00 N ATOM 214 C4 A A 10 -5.676 -9.208 3.812 1.00 0.00 C ATOM 0 H5' A A 10 -8.908 -7.811 -1.399 1.00 0.00 H new ATOM 0 H5'' A A 10 -8.087 -6.382 -1.994 1.00 0.00 H new ATOM 0 H4' A A 10 -8.489 -6.352 0.366 1.00 0.00 H new ATOM 0 H3' A A 10 -5.701 -5.952 -0.617 1.00 0.00 H new ATOM 0 H2' A A 10 -4.624 -6.743 1.232 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.647 -5.193 2.617 1.00 0.00 H new ATOM 0 H1' A A 10 -7.124 -7.293 2.825 1.00 0.00 H new ATOM 0 H8 A A 10 -5.038 -9.800 0.708 1.00 0.00 H new ATOM 0 H61 A A 10 -3.717 -12.615 5.967 1.00 0.00 H new ATOM 0 H62 A A 10 -3.597 -12.580 4.205 1.00 0.00 H new ATOM 0 H2 A A 10 -6.217 -8.770 6.908 1.00 0.00 H new ATOM 226 P C A 11 -6.853 -3.654 -0.956 1.00 0.00 P ATOM 227 OP1 C A 11 -8.182 -3.806 -1.587 1.00 0.00 O ATOM 228 OP2 C A 11 -5.670 -3.894 -1.818 1.00 0.00 O ATOM 229 O5' C A 11 -6.780 -2.207 -0.330 1.00 0.00 O ATOM 230 C5' C A 11 -5.578 -1.451 -0.216 1.00 0.00 C ATOM 231 C4' C A 11 -5.464 -0.736 1.143 1.00 0.00 C ATOM 232 O4' C A 11 -6.646 0.075 1.399 1.00 0.00 O ATOM 233 C3' C A 11 -5.380 -1.710 2.322 1.00 0.00 C ATOM 234 O3' C A 11 -4.089 -1.616 2.913 1.00 0.00 O ATOM 235 C2' C A 11 -6.538 -1.338 3.259 1.00 0.00 C ATOM 236 O2' C A 11 -6.255 -1.390 4.654 1.00 0.00 O ATOM 237 C1' C A 11 -6.988 0.050 2.788 1.00 0.00 C ATOM 238 N1 C A 11 -8.475 0.205 2.983 1.00 0.00 N ATOM 239 C2 C A 11 -9.005 0.667 4.251 1.00 0.00 C ATOM 240 O2 C A 11 -8.265 0.993 5.201 1.00 0.00 O ATOM 241 N3 C A 11 -10.380 0.745 4.387 1.00 0.00 N ATOM 242 C4 C A 11 -11.224 0.402 3.373 1.00 0.00 C ATOM 243 N4 C A 11 -12.582 0.459 3.508 1.00 0.00 N ATOM 244 C5 C A 11 -10.678 -0.051 2.113 1.00 0.00 C ATOM 245 C6 C A 11 -9.361 -0.129 1.977 1.00 0.00 C ATOM 0 H5' C A 11 -5.538 -0.713 -1.017 1.00 0.00 H new ATOM 0 H5'' C A 11 -4.722 -2.112 -0.349 1.00 0.00 H new ATOM 0 H4' C A 11 -4.554 -0.141 1.074 1.00 0.00 H new ATOM 0 H3' C A 11 -5.489 -2.757 2.038 1.00 0.00 H new ATOM 0 H2' C A 11 -7.326 -2.087 3.185 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.790 -0.715 5.122 1.00 0.00 H new ATOM 0 H1' C A 11 -6.518 0.863 3.341 1.00 0.00 H new ATOM 0 H41 C A 11 -13.184 0.195 2.728 1.00 0.00 H new ATOM 0 H42 C A 11 -12.994 0.766 4.389 1.00 0.00 H new ATOM 0 H5 C A 11 -11.331 -0.321 1.297 1.00 0.00 H new ATOM 0 H6 C A 11 -8.962 -0.470 1.033 1.00 0.00 H new ATOM 257 P A A 12 -2.917 -2.672 2.762 1.00 0.00 P ATOM 258 OP1 A A 12 -1.690 -2.075 3.338 1.00 0.00 O ATOM 259 OP2 A A 12 -2.834 -3.125 1.352 1.00 0.00 O ATOM 260 O5' A A 12 -3.369 -3.894 3.672 1.00 0.00 O ATOM 261 C5' A A 12 -3.788 -3.699 5.027 1.00 0.00 C ATOM 262 C4' A A 12 -3.355 -4.824 5.987 1.00 0.00 C ATOM 263 O4' A A 12 -3.738 -6.132 5.460 1.00 0.00 O ATOM 264 C3' A A 12 -1.847 -4.931 6.212 1.00 0.00 C ATOM 265 O3' A A 12 -1.375 -3.970 7.164 1.00 0.00 O ATOM 266 C2' A A 12 -1.661 -6.396 6.624 1.00 0.00 C ATOM 267 O2' A A 12 -1.861 -6.621 8.021 1.00 0.00 O ATOM 268 C1' A A 12 -2.754 -7.114 5.807 1.00 0.00 C ATOM 269 N9 A A 12 -2.336 -7.892 4.597 1.00 0.00 N ATOM 270 C8 A A 12 -2.443 -7.588 3.259 1.00 0.00 C ATOM 271 N7 A A 12 -2.019 -8.526 2.455 1.00 0.00 N ATOM 272 C5 A A 12 -1.594 -9.527 3.281 1.00 0.00 C ATOM 273 C6 A A 12 -1.044 -10.782 2.957 1.00 0.00 C ATOM 274 N6 A A 12 -0.901 -11.129 1.640 1.00 0.00 N ATOM 275 N1 A A 12 -0.714 -11.565 4.036 1.00 0.00 N ATOM 276 C2 A A 12 -0.925 -11.115 5.278 1.00 0.00 C ATOM 277 N3 A A 12 -1.441 -9.955 5.683 1.00 0.00 N ATOM 278 C4 A A 12 -1.765 -9.182 4.614 1.00 0.00 C ATOM 0 H5' A A 12 -4.874 -3.613 5.051 1.00 0.00 H new ATOM 0 H5'' A A 12 -3.385 -2.753 5.388 1.00 0.00 H new ATOM 0 H4' A A 12 -3.851 -4.561 6.922 1.00 0.00 H new ATOM 0 H3' A A 12 -1.248 -4.691 5.333 1.00 0.00 H new ATOM 0 H2' A A 12 -0.645 -6.744 6.437 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.685 -5.793 8.514 1.00 0.00 H new ATOM 0 H1' A A 12 -3.130 -7.904 6.457 1.00 0.00 H new ATOM 0 H8 A A 12 -2.845 -6.651 2.903 1.00 0.00 H new ATOM 0 H61 A A 12 -0.504 -12.035 1.392 1.00 0.00 H new ATOM 0 H62 A A 12 -1.192 -10.481 0.908 1.00 0.00 H new ATOM 0 H2 A A 12 -0.635 -11.791 6.069 1.00 0.00 H new ATOM 290 P A A 13 0.156 -3.548 7.265 1.00 0.00 P ATOM 291 OP1 A A 13 0.248 -2.324 8.092 1.00 0.00 O ATOM 292 OP2 A A 13 0.749 -3.483 5.906 1.00 0.00 O ATOM 293 O5' A A 13 0.759 -4.763 8.102 1.00 0.00 O ATOM 294 C5' A A 13 2.047 -5.293 7.823 1.00 0.00 C ATOM 295 C4' A A 13 2.214 -6.734 8.366 1.00 0.00 C ATOM 296 O4' A A 13 1.205 -7.644 7.791 1.00 0.00 O ATOM 297 C3' A A 13 3.548 -7.347 7.931 1.00 0.00 C ATOM 298 O3' A A 13 4.627 -7.107 8.838 1.00 0.00 O ATOM 299 C2' A A 13 3.240 -8.837 7.759 1.00 0.00 C ATOM 300 O2' A A 13 3.274 -9.586 8.976 1.00 0.00 O ATOM 301 C1' A A 13 1.827 -8.793 7.180 1.00 0.00 C ATOM 302 N9 A A 13 1.752 -8.728 5.679 1.00 0.00 N ATOM 303 C8 A A 13 1.364 -7.682 4.906 1.00 0.00 C ATOM 304 N7 A A 13 1.381 -7.897 3.618 1.00 0.00 N ATOM 305 C5 A A 13 1.815 -9.180 3.497 1.00 0.00 C ATOM 306 C6 A A 13 2.027 -9.941 2.334 1.00 0.00 C ATOM 307 N6 A A 13 1.775 -9.378 1.109 1.00 0.00 N ATOM 308 N1 A A 13 2.474 -11.220 2.558 1.00 0.00 N ATOM 309 C2 A A 13 2.673 -11.651 3.810 1.00 0.00 C ATOM 310 N3 A A 13 2.502 -11.008 4.970 1.00 0.00 N ATOM 311 C4 A A 13 2.060 -9.745 4.745 1.00 0.00 C ATOM 0 H5' A A 13 2.807 -4.649 8.265 1.00 0.00 H new ATOM 0 H5'' A A 13 2.214 -5.290 6.746 1.00 0.00 H new ATOM 0 H4' A A 13 2.130 -6.642 9.449 1.00 0.00 H new ATOM 0 H3' A A 13 3.910 -6.886 7.012 1.00 0.00 H new ATOM 0 H2' A A 13 3.981 -9.343 7.140 1.00 0.00 H new ATOM 0 HO2' A A 13 3.915 -9.177 9.594 1.00 0.00 H new ATOM 0 H1' A A 13 1.315 -9.729 7.405 1.00 0.00 H new ATOM 0 H8 A A 13 1.061 -6.735 5.328 1.00 0.00 H new ATOM 0 H61 A A 13 1.925 -9.920 0.258 1.00 0.00 H new ATOM 0 H62 A A 13 1.438 -8.417 1.049 1.00 0.00 H new ATOM 0 H2 A A 13 3.024 -12.669 3.896 1.00 0.00 H new ATOM 323 P A A 14 6.052 -6.614 8.312 1.00 0.00 P ATOM 324 OP1 A A 14 6.999 -6.617 9.451 1.00 0.00 O ATOM 325 OP2 A A 14 5.879 -5.326 7.600 1.00 0.00 O ATOM 326 O5' A A 14 6.494 -7.713 7.247 1.00 0.00 O ATOM 327 C5' A A 14 6.819 -9.047 7.618 1.00 0.00 C ATOM 328 C4' A A 14 6.956 -10.022 6.418 1.00 0.00 C ATOM 329 O4' A A 14 5.689 -10.194 5.696 1.00 0.00 O ATOM 330 C3' A A 14 7.960 -9.588 5.348 1.00 0.00 C ATOM 331 O3' A A 14 9.288 -9.988 5.698 1.00 0.00 O ATOM 332 C2' A A 14 7.404 -10.221 4.062 1.00 0.00 C ATOM 333 O2' A A 14 7.777 -11.588 3.885 1.00 0.00 O ATOM 334 C1' A A 14 5.886 -10.098 4.274 1.00 0.00 C ATOM 335 N9 A A 14 5.257 -8.837 3.745 1.00 0.00 N ATOM 336 C8 A A 14 4.808 -7.758 4.447 1.00 0.00 C ATOM 337 N7 A A 14 4.313 -6.786 3.733 1.00 0.00 N ATOM 338 C5 A A 14 4.429 -7.228 2.447 1.00 0.00 C ATOM 339 C6 A A 14 4.055 -6.594 1.252 1.00 0.00 C ATOM 340 N6 A A 14 3.484 -5.353 1.304 1.00 0.00 N ATOM 341 N1 A A 14 4.307 -7.312 0.112 1.00 0.00 N ATOM 342 C2 A A 14 4.870 -8.523 0.193 1.00 0.00 C ATOM 343 N3 A A 14 5.258 -9.208 1.272 1.00 0.00 N ATOM 344 C4 A A 14 5.007 -8.494 2.399 1.00 0.00 C ATOM 0 H5' A A 14 6.049 -9.423 8.292 1.00 0.00 H new ATOM 0 H5'' A A 14 7.756 -9.040 8.176 1.00 0.00 H new ATOM 0 H4' A A 14 7.296 -10.939 6.900 1.00 0.00 H new ATOM 0 H3' A A 14 8.059 -8.509 5.229 1.00 0.00 H new ATOM 0 H2' A A 14 7.787 -9.731 3.167 1.00 0.00 H new ATOM 0 HO2' A A 14 8.531 -11.800 4.473 1.00 0.00 H new ATOM 0 H1' A A 14 5.393 -10.886 3.705 1.00 0.00 H new ATOM 0 H8 A A 14 4.859 -7.711 5.525 1.00 0.00 H new ATOM 0 H61 A A 14 3.208 -4.882 0.442 1.00 0.00 H new ATOM 0 H62 A A 14 3.334 -4.898 2.204 1.00 0.00 H new ATOM 0 H2 A A 14 5.035 -9.019 -0.752 1.00 0.00 H new ATOM 356 P G A 15 10.570 -9.298 5.063 1.00 0.00 P ATOM 357 OP1 G A 15 11.766 -9.768 5.798 1.00 0.00 O ATOM 358 OP2 G A 15 10.365 -7.830 4.985 1.00 0.00 O ATOM 359 O5' G A 15 10.572 -9.968 3.624 1.00 0.00 O ATOM 360 C5' G A 15 10.929 -9.258 2.454 1.00 0.00 C ATOM 361 C4' G A 15 10.384 -9.974 1.201 1.00 0.00 C ATOM 362 O4' G A 15 8.919 -9.887 1.110 1.00 0.00 O ATOM 363 C3' G A 15 10.902 -9.342 -0.090 1.00 0.00 C ATOM 364 O3' G A 15 12.074 -10.020 -0.546 1.00 0.00 O ATOM 365 C2' G A 15 9.718 -9.445 -1.053 1.00 0.00 C ATOM 366 O2' G A 15 9.646 -10.677 -1.773 1.00 0.00 O ATOM 367 C1' G A 15 8.519 -9.276 -0.123 1.00 0.00 C ATOM 368 N9 G A 15 8.053 -7.864 0.124 1.00 0.00 N ATOM 369 C8 G A 15 7.990 -7.206 1.313 1.00 0.00 C ATOM 370 N7 G A 15 7.557 -5.971 1.246 1.00 0.00 N ATOM 371 C5 G A 15 7.302 -5.769 -0.083 1.00 0.00 C ATOM 372 C6 G A 15 6.818 -4.610 -0.714 1.00 0.00 C ATOM 373 O6 G A 15 6.548 -3.543 -0.147 1.00 0.00 O ATOM 374 N1 G A 15 6.686 -4.805 -2.120 1.00 0.00 N ATOM 375 C2 G A 15 6.991 -5.985 -2.826 1.00 0.00 C ATOM 376 N2 G A 15 6.766 -5.876 -4.165 1.00 0.00 N ATOM 377 N3 G A 15 7.458 -7.082 -2.171 1.00 0.00 N ATOM 378 C4 G A 15 7.593 -6.922 -0.826 1.00 0.00 C ATOM 0 H5' G A 15 12.014 -9.174 2.389 1.00 0.00 H new ATOM 0 H5'' G A 15 10.533 -8.244 2.502 1.00 0.00 H new ATOM 0 H4' G A 15 10.719 -11.006 1.305 1.00 0.00 H new ATOM 0 H3' G A 15 11.220 -8.305 0.023 1.00 0.00 H new ATOM 0 H2' G A 15 9.785 -8.704 -1.849 1.00 0.00 H new ATOM 0 HO2' G A 15 10.507 -11.141 -1.714 1.00 0.00 H new ATOM 0 H1' G A 15 7.652 -9.735 -0.599 1.00 0.00 H new ATOM 0 H8 G A 15 8.277 -7.669 2.246 1.00 0.00 H new ATOM 0 H1 G A 15 6.338 -4.016 -2.666 1.00 0.00 H new ATOM 0 H21 G A 15 6.951 -6.669 -4.779 1.00 0.00 H new ATOM 0 H22 G A 15 6.412 -5.002 -4.553 1.00 0.00 H new ATOM 390 P C A 16 13.413 -9.266 -0.948 1.00 0.00 P ATOM 391 OP1 C A 16 14.474 -10.276 -1.169 1.00 0.00 O ATOM 392 OP2 C A 16 13.704 -8.205 0.044 1.00 0.00 O ATOM 393 O5' C A 16 13.036 -8.573 -2.323 1.00 0.00 O ATOM 394 C5' C A 16 12.815 -9.327 -3.511 1.00 0.00 C ATOM 395 C4' C A 16 12.192 -8.483 -4.648 1.00 0.00 C ATOM 396 O4' C A 16 10.809 -8.073 -4.345 1.00 0.00 O ATOM 397 C3' C A 16 12.912 -7.161 -4.951 1.00 0.00 C ATOM 398 O3' C A 16 14.084 -7.347 -5.744 1.00 0.00 O ATOM 399 C2' C A 16 11.810 -6.349 -5.631 1.00 0.00 C ATOM 400 O2' C A 16 11.546 -6.748 -6.979 1.00 0.00 O ATOM 401 C1' C A 16 10.619 -6.680 -4.701 1.00 0.00 C ATOM 402 N1 C A 16 10.435 -5.799 -3.472 1.00 0.00 N ATOM 403 C2 C A 16 9.995 -4.431 -3.651 1.00 0.00 C ATOM 404 O2 C A 16 9.761 -3.944 -4.773 1.00 0.00 O ATOM 405 N3 C A 16 9.833 -3.648 -2.526 1.00 0.00 N ATOM 406 C4 C A 16 10.072 -4.119 -1.274 1.00 0.00 C ATOM 407 N4 C A 16 9.912 -3.348 -0.159 1.00 0.00 N ATOM 408 C5 C A 16 10.507 -5.475 -1.091 1.00 0.00 C ATOM 409 C6 C A 16 10.668 -6.249 -2.172 1.00 0.00 C ATOM 0 H5' C A 16 12.158 -10.167 -3.286 1.00 0.00 H new ATOM 0 H5'' C A 16 13.762 -9.745 -3.852 1.00 0.00 H new ATOM 0 H4' C A 16 12.268 -9.162 -5.498 1.00 0.00 H new ATOM 0 H3' C A 16 13.315 -6.658 -4.072 1.00 0.00 H new ATOM 0 H2' C A 16 12.051 -5.291 -5.738 1.00 0.00 H new ATOM 0 HO2' C A 16 10.832 -6.190 -7.351 1.00 0.00 H new ATOM 0 H1' C A 16 9.691 -6.480 -5.237 1.00 0.00 H new ATOM 0 H41 C A 16 10.102 -3.740 0.763 1.00 0.00 H new ATOM 0 H42 C A 16 9.602 -2.380 -0.248 1.00 0.00 H new ATOM 0 H5 C A 16 10.700 -5.863 -0.102 1.00 0.00 H new ATOM 0 H6 C A 16 10.993 -7.269 -2.031 1.00 0.00 H new ATOM 421 P G A 17 15.385 -6.440 -5.575 1.00 0.00 P ATOM 422 OP1 G A 17 16.507 -7.103 -6.282 1.00 0.00 O ATOM 423 OP2 G A 17 15.604 -6.132 -4.142 1.00 0.00 O ATOM 424 O5' G A 17 15.002 -5.088 -6.326 1.00 0.00 O ATOM 425 C5' G A 17 14.837 -5.083 -7.745 1.00 0.00 C ATOM 426 C4' G A 17 14.151 -3.802 -8.269 1.00 0.00 C ATOM 427 O4' G A 17 12.879 -3.553 -7.579 1.00 0.00 O ATOM 428 C3' G A 17 14.949 -2.503 -8.084 1.00 0.00 C ATOM 429 O3' G A 17 15.909 -2.319 -9.124 1.00 0.00 O ATOM 430 C2' G A 17 13.851 -1.438 -8.085 1.00 0.00 C ATOM 431 O2' G A 17 13.388 -1.093 -9.395 1.00 0.00 O ATOM 432 C1' G A 17 12.739 -2.151 -7.294 1.00 0.00 C ATOM 433 N9 G A 17 12.610 -1.899 -5.819 1.00 0.00 N ATOM 434 C8 G A 17 12.722 -2.772 -4.768 1.00 0.00 C ATOM 435 N7 G A 17 12.522 -2.246 -3.589 1.00 0.00 N ATOM 436 C5 G A 17 12.254 -0.933 -3.841 1.00 0.00 C ATOM 437 C6 G A 17 11.964 0.077 -2.920 1.00 0.00 C ATOM 438 O6 G A 17 11.898 -0.071 -1.696 1.00 0.00 O ATOM 439 N1 G A 17 11.741 1.322 -3.569 1.00 0.00 N ATOM 440 C2 G A 17 11.794 1.556 -4.959 1.00 0.00 C ATOM 441 N2 G A 17 11.536 2.850 -5.294 1.00 0.00 N ATOM 442 N3 G A 17 12.080 0.539 -5.817 1.00 0.00 N ATOM 443 C4 G A 17 12.298 -0.663 -5.212 1.00 0.00 C ATOM 0 H5' G A 17 14.247 -5.951 -8.040 1.00 0.00 H new ATOM 0 H5'' G A 17 15.813 -5.186 -8.219 1.00 0.00 H new ATOM 0 H4' G A 17 14.040 -4.015 -9.332 1.00 0.00 H new ATOM 0 H3' G A 17 15.552 -2.481 -7.176 1.00 0.00 H new ATOM 0 H2' G A 17 14.190 -0.488 -7.671 1.00 0.00 H new ATOM 0 HO2' G A 17 14.062 -1.349 -10.058 1.00 0.00 H new ATOM 0 H1' G A 17 11.803 -1.712 -7.639 1.00 0.00 H new ATOM 0 H8 G A 17 12.958 -3.817 -4.905 1.00 0.00 H new ATOM 0 H1 G A 17 11.522 2.121 -2.974 1.00 0.00 H new ATOM 0 H21 G A 17 11.547 3.135 -6.273 1.00 0.00 H new ATOM 0 H22 G A 17 11.332 3.534 -4.566 1.00 0.00 H new ATOM 455 P C A 18 17.352 -1.709 -8.854 1.00 0.00 P ATOM 456 OP1 C A 18 18.122 -1.742 -10.121 1.00 0.00 O ATOM 457 OP2 C A 18 17.965 -2.392 -7.691 1.00 0.00 O ATOM 458 O5' C A 18 17.050 -0.205 -8.448 1.00 0.00 O ATOM 459 C5' C A 18 16.608 0.770 -9.390 1.00 0.00 C ATOM 460 C4' C A 18 16.237 2.118 -8.720 1.00 0.00 C ATOM 461 O4' C A 18 15.090 1.971 -7.822 1.00 0.00 O ATOM 462 C3' C A 18 17.341 2.722 -7.856 1.00 0.00 C ATOM 463 O3' C A 18 18.245 3.527 -8.610 1.00 0.00 O ATOM 464 C2' C A 18 16.613 3.469 -6.739 1.00 0.00 C ATOM 465 O2' C A 18 16.365 4.849 -7.012 1.00 0.00 O ATOM 466 C1' C A 18 15.287 2.704 -6.593 1.00 0.00 C ATOM 467 N1 C A 18 15.231 1.847 -5.369 1.00 0.00 N ATOM 468 C2 C A 18 15.015 2.450 -4.066 1.00 0.00 C ATOM 469 O2 C A 18 14.868 3.677 -3.909 1.00 0.00 O ATOM 470 N3 C A 18 14.973 1.615 -2.966 1.00 0.00 N ATOM 471 C4 C A 18 15.127 0.268 -3.092 1.00 0.00 C ATOM 472 N4 C A 18 15.089 -0.571 -2.016 1.00 0.00 N ATOM 473 C5 C A 18 15.338 -0.305 -4.396 1.00 0.00 C ATOM 474 C6 C A 18 15.382 0.493 -5.457 1.00 0.00 C ATOM 0 H5' C A 18 15.742 0.385 -9.927 1.00 0.00 H new ATOM 0 H5'' C A 18 17.392 0.939 -10.128 1.00 0.00 H new ATOM 0 H4' C A 18 16.033 2.770 -9.569 1.00 0.00 H new ATOM 0 H3' C A 18 17.997 1.960 -7.434 1.00 0.00 H new ATOM 0 H2' C A 18 17.224 3.491 -5.836 1.00 0.00 H new ATOM 0 HO2' C A 18 16.960 5.153 -7.729 1.00 0.00 H new ATOM 0 HO3' C A 18 18.932 3.893 -8.015 1.00 0.00 H new ATOM 0 H1' C A 18 14.463 3.402 -6.441 1.00 0.00 H new ATOM 0 H41 C A 18 15.208 -1.575 -2.148 1.00 0.00 H new ATOM 0 H42 C A 18 14.941 -0.194 -1.080 1.00 0.00 H new ATOM 0 H5 C A 18 15.459 -1.372 -4.510 1.00 0.00 H new ATOM 0 H6 C A 18 15.544 0.052 -6.430 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.583 1.582 5.025 1.00 0.00 N ATOM 489 CA ASN B 1 9.528 1.390 3.994 1.00 0.00 C ATOM 490 C ASN B 1 8.383 2.374 4.153 1.00 0.00 C ATOM 491 O ASN B 1 7.963 2.686 5.274 1.00 0.00 O ATOM 492 CB ASN B 1 9.026 -0.093 4.008 1.00 0.00 C ATOM 493 CG ASN B 1 8.296 -0.487 2.706 1.00 0.00 C ATOM 494 OD1 ASN B 1 8.928 -0.660 1.656 1.00 0.00 O ATOM 495 ND2 ASN B 1 6.942 -0.665 2.789 1.00 0.00 N ATOM 0 H1 ASN B 1 11.415 2.031 4.591 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.218 2.190 5.786 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.855 0.659 5.420 1.00 0.00 H new ATOM 0 HA ASN B 1 9.970 1.595 3.019 1.00 0.00 H new ATOM 0 HB2 ASN B 1 9.876 -0.759 4.159 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.354 -0.237 4.854 1.00 0.00 H new ATOM 0 HD21 ASN B 1 6.414 -0.951 1.965 1.00 0.00 H new ATOM 0 HD22 ASN B 1 6.461 -0.511 3.675 1.00 0.00 H new ATOM 503 N ALA B 2 7.853 2.869 2.994 1.00 0.00 N ATOM 504 CA ALA B 2 6.742 3.793 2.899 1.00 0.00 C ATOM 505 C ALA B 2 5.485 2.948 2.855 1.00 0.00 C ATOM 506 O ALA B 2 5.046 2.479 1.798 1.00 0.00 O ATOM 507 CB ALA B 2 6.835 4.777 1.720 1.00 0.00 C ATOM 0 H ALA B 2 8.222 2.608 2.080 1.00 0.00 H new ATOM 0 HA ALA B 2 6.744 4.454 3.766 1.00 0.00 H new ATOM 0 HB1 ALA B 2 5.964 5.432 1.723 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.740 5.377 1.817 1.00 0.00 H new ATOM 0 HB3 ALA B 2 6.867 4.221 0.783 1.00 0.00 H new ATOM 513 N LYS B 3 4.916 2.730 4.073 1.00 0.00 N ATOM 514 CA LYS B 3 3.721 1.968 4.357 1.00 0.00 C ATOM 515 C LYS B 3 2.532 2.915 4.350 1.00 0.00 C ATOM 516 O LYS B 3 1.717 2.810 3.439 1.00 0.00 O ATOM 517 CB LYS B 3 3.787 1.128 5.683 1.00 0.00 C ATOM 518 CG LYS B 3 4.442 -0.276 5.576 1.00 0.00 C ATOM 519 CD LYS B 3 3.595 -1.325 4.809 1.00 0.00 C ATOM 520 CE LYS B 3 4.185 -2.746 4.759 1.00 0.00 C ATOM 521 NZ LYS B 3 3.240 -3.658 4.074 1.00 0.00 N ATOM 0 H LYS B 3 5.327 3.118 4.922 1.00 0.00 H new ATOM 0 HA LYS B 3 3.616 1.218 3.573 1.00 0.00 H new ATOM 0 HB2 LYS B 3 4.336 1.706 6.427 1.00 0.00 H new ATOM 0 HB3 LYS B 3 2.772 1.004 6.060 1.00 0.00 H new ATOM 0 HG2 LYS B 3 5.408 -0.175 5.081 1.00 0.00 H new ATOM 0 HG3 LYS B 3 4.637 -0.650 6.581 1.00 0.00 H new ATOM 0 HD2 LYS B 3 2.608 -1.376 5.269 1.00 0.00 H new ATOM 0 HD3 LYS B 3 3.452 -0.974 3.787 1.00 0.00 H new ATOM 0 HE2 LYS B 3 5.140 -2.735 4.233 1.00 0.00 H new ATOM 0 HE3 LYS B 3 4.382 -3.104 5.770 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 3.643 -4.616 4.043 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 2.339 -3.678 4.593 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 3.073 -3.321 3.104 1.00 0.00 H new ATOM 535 N THR B 4 2.416 3.859 5.336 1.00 0.00 N ATOM 536 CA THR B 4 1.327 4.835 5.500 1.00 0.00 C ATOM 537 C THR B 4 1.239 5.857 4.376 1.00 0.00 C ATOM 538 O THR B 4 0.134 6.150 3.919 1.00 0.00 O ATOM 539 CB THR B 4 1.262 5.549 6.868 1.00 0.00 C ATOM 540 OG1 THR B 4 2.536 6.031 7.296 1.00 0.00 O ATOM 541 CG2 THR B 4 0.642 4.608 7.934 1.00 0.00 C ATOM 0 H THR B 4 3.123 3.951 6.066 1.00 0.00 H new ATOM 0 HA THR B 4 0.450 4.190 5.451 1.00 0.00 H new ATOM 0 HB THR B 4 0.623 6.423 6.747 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.443 6.476 8.164 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.602 5.123 8.894 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.366 4.328 7.630 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.255 3.711 8.028 1.00 0.00 H new ATOM 549 N ARG B 5 2.393 6.396 3.899 1.00 0.00 N ATOM 550 CA ARG B 5 2.534 7.358 2.813 1.00 0.00 C ATOM 551 C ARG B 5 1.938 6.798 1.518 1.00 0.00 C ATOM 552 O ARG B 5 1.152 7.496 0.871 1.00 0.00 O ATOM 553 CB ARG B 5 4.025 7.796 2.644 1.00 0.00 C ATOM 554 CG ARG B 5 4.573 8.774 3.720 1.00 0.00 C ATOM 555 CD ARG B 5 4.649 8.216 5.159 1.00 0.00 C ATOM 556 NE ARG B 5 5.508 9.110 6.012 1.00 0.00 N ATOM 557 CZ ARG B 5 5.932 8.811 7.283 1.00 0.00 C ATOM 558 NH1 ARG B 5 5.409 7.787 8.023 1.00 0.00 N ATOM 559 NH2 ARG B 5 6.921 9.579 7.835 1.00 0.00 N ATOM 0 H ARG B 5 3.296 6.143 4.299 1.00 0.00 H new ATOM 0 HA ARG B 5 1.970 8.256 3.064 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.648 6.902 2.643 1.00 0.00 H new ATOM 0 HB3 ARG B 5 4.137 8.263 1.666 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.572 9.092 3.420 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.944 9.664 3.728 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.648 8.146 5.584 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.061 7.207 5.145 1.00 0.00 H new ATOM 0 HE ARG B 5 5.797 10.005 5.616 1.00 0.00 H new ATOM 0 HH11 ARG B 5 4.668 7.204 7.634 1.00 0.00 H new ATOM 0 HH12 ARG B 5 5.760 7.607 8.964 1.00 0.00 H new ATOM 0 HH21 ARG B 5 7.324 10.351 7.304 1.00 0.00 H new ATOM 0 HH22 ARG B 5 7.255 9.379 8.778 1.00 0.00 H new ATOM 573 N ARG B 6 2.252 5.513 1.164 1.00 0.00 N ATOM 574 CA ARG B 6 1.715 4.762 0.042 1.00 0.00 C ATOM 575 C ARG B 6 0.226 4.493 0.314 1.00 0.00 C ATOM 576 O ARG B 6 -0.611 4.842 -0.524 1.00 0.00 O ATOM 577 CB ARG B 6 2.494 3.421 -0.172 1.00 0.00 C ATOM 578 CG ARG B 6 1.833 2.390 -1.121 1.00 0.00 C ATOM 579 CD ARG B 6 2.589 1.062 -1.218 1.00 0.00 C ATOM 580 NE ARG B 6 1.751 0.028 -1.927 1.00 0.00 N ATOM 581 CZ ARG B 6 1.522 -0.052 -3.278 1.00 0.00 C ATOM 582 NH1 ARG B 6 1.901 0.929 -4.143 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.903 -1.169 -3.773 1.00 0.00 N ATOM 0 H ARG B 6 2.926 4.966 1.700 1.00 0.00 H new ATOM 0 HA ARG B 6 1.829 5.342 -0.874 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.484 3.658 -0.560 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.637 2.949 0.800 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.817 2.194 -0.778 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.755 2.826 -2.117 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.527 1.209 -1.754 1.00 0.00 H new ATOM 0 HD3 ARG B 6 2.845 0.709 -0.219 1.00 0.00 H new ATOM 0 HE ARG B 6 1.310 -0.683 -1.344 1.00 0.00 H new ATOM 0 HH11 ARG B 6 2.374 1.762 -3.793 1.00 0.00 H new ATOM 0 HH12 ARG B 6 1.712 0.830 -5.140 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.623 -1.919 -3.141 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.722 -1.251 -4.774 1.00 0.00 H new ATOM 597 N HIS B 7 -0.106 3.849 1.485 1.00 0.00 N ATOM 598 CA HIS B 7 -1.406 3.460 1.988 1.00 0.00 C ATOM 599 C HIS B 7 -2.443 4.541 1.782 1.00 0.00 C ATOM 600 O HIS B 7 -3.419 4.241 1.125 1.00 0.00 O ATOM 601 CB HIS B 7 -1.395 2.980 3.465 1.00 0.00 C ATOM 602 CG HIS B 7 -2.706 2.440 3.956 1.00 0.00 C ATOM 603 ND1 HIS B 7 -2.993 1.107 4.039 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.798 3.110 4.384 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.224 0.978 4.513 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.731 2.179 4.740 1.00 0.00 N ATOM 0 H HIS B 7 0.628 3.578 2.140 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.688 2.594 1.389 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.634 2.207 3.577 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -1.099 3.813 4.102 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.912 4.183 4.435 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.733 0.041 4.686 1.00 0.00 H new ATOM 0 HE2 HIS B 7 -5.659 2.375 5.116 1.00 0.00 H new ATOM 615 N GLU B 8 -2.265 5.800 2.290 1.00 0.00 N ATOM 616 CA GLU B 8 -3.159 6.949 2.147 1.00 0.00 C ATOM 617 C GLU B 8 -3.789 7.069 0.747 1.00 0.00 C ATOM 618 O GLU B 8 -5.017 7.043 0.646 1.00 0.00 O ATOM 619 CB GLU B 8 -2.468 8.282 2.600 1.00 0.00 C ATOM 620 CG GLU B 8 -2.589 8.595 4.115 1.00 0.00 C ATOM 621 CD GLU B 8 -4.033 8.957 4.497 1.00 0.00 C ATOM 622 OE1 GLU B 8 -4.445 10.116 4.221 1.00 0.00 O ATOM 623 OE2 GLU B 8 -4.742 8.084 5.066 1.00 0.00 O ATOM 0 H GLU B 8 -1.438 6.032 2.840 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.992 6.764 2.825 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.411 8.235 2.336 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -2.901 9.109 2.037 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -2.263 7.731 4.694 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.925 9.420 4.372 1.00 0.00 H new ATOM 630 N ARG B 9 -2.969 7.151 -0.347 1.00 0.00 N ATOM 631 CA ARG B 9 -3.401 7.230 -1.745 1.00 0.00 C ATOM 632 C ARG B 9 -4.126 5.947 -2.188 1.00 0.00 C ATOM 633 O ARG B 9 -5.280 6.024 -2.621 1.00 0.00 O ATOM 634 CB ARG B 9 -2.249 7.561 -2.757 1.00 0.00 C ATOM 635 CG ARG B 9 -1.613 8.974 -2.673 1.00 0.00 C ATOM 636 CD ARG B 9 -0.639 9.216 -1.504 1.00 0.00 C ATOM 637 NE ARG B 9 -0.076 10.610 -1.635 1.00 0.00 N ATOM 638 CZ ARG B 9 0.950 11.135 -0.888 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.589 10.434 0.094 1.00 0.00 N ATOM 640 NH2 ARG B 9 1.350 12.418 -1.143 1.00 0.00 N ATOM 0 H ARG B 9 -1.953 7.163 -0.255 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.094 8.071 -1.771 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -1.457 6.826 -2.619 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -2.637 7.425 -3.766 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.083 9.166 -3.606 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.417 9.707 -2.606 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -1.155 9.103 -0.551 1.00 0.00 H new ATOM 0 HD3 ARG B 9 0.164 8.479 -1.521 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.494 11.216 -2.341 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.309 9.475 0.300 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.346 10.869 0.621 1.00 0.00 H new ATOM 0 HH21 ARG B 9 0.889 12.960 -1.873 1.00 0.00 H new ATOM 0 HH22 ARG B 9 2.110 12.832 -0.603 1.00 0.00 H new ATOM 654 N ARG B 10 -3.470 4.748 -2.062 1.00 0.00 N ATOM 655 CA ARG B 10 -3.968 3.409 -2.393 1.00 0.00 C ATOM 656 C ARG B 10 -5.308 3.106 -1.698 1.00 0.00 C ATOM 657 O ARG B 10 -6.201 2.606 -2.365 1.00 0.00 O ATOM 658 CB ARG B 10 -2.881 2.326 -2.083 1.00 0.00 C ATOM 659 CG ARG B 10 -3.215 0.854 -2.444 1.00 0.00 C ATOM 660 CD ARG B 10 -2.009 -0.104 -2.330 1.00 0.00 C ATOM 661 NE ARG B 10 -2.434 -1.555 -2.436 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.628 -2.285 -3.580 1.00 0.00 C ATOM 663 NH1 ARG B 10 -2.465 -1.779 -4.835 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.979 -3.600 -3.427 1.00 0.00 N ATOM 0 H ARG B 10 -2.517 4.712 -1.700 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.168 3.379 -3.464 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -1.969 2.604 -2.611 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -2.657 2.369 -1.017 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.011 0.501 -1.789 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -3.601 0.818 -3.463 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.289 0.123 -3.116 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.504 0.059 -1.378 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.594 -2.044 -1.555 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -2.184 -0.807 -4.960 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -2.624 -2.373 -5.649 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -3.085 -3.994 -2.492 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -3.135 -4.185 -4.248 1.00 0.00 H new ATOM 678 N ARG B 11 -5.486 3.422 -0.378 1.00 0.00 N ATOM 679 CA ARG B 11 -6.642 3.293 0.497 1.00 0.00 C ATOM 680 C ARG B 11 -7.836 3.988 -0.134 1.00 0.00 C ATOM 681 O ARG B 11 -8.788 3.289 -0.458 1.00 0.00 O ATOM 682 CB ARG B 11 -6.337 3.793 1.937 1.00 0.00 C ATOM 683 CG ARG B 11 -7.464 3.662 2.981 1.00 0.00 C ATOM 684 CD ARG B 11 -7.467 4.782 4.022 1.00 0.00 C ATOM 685 NE ARG B 11 -8.535 4.465 5.038 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.846 5.231 6.133 1.00 0.00 C ATOM 687 NH1 ARG B 11 -8.166 6.369 6.466 1.00 0.00 N ATOM 688 NH2 ARG B 11 -9.886 4.831 6.927 1.00 0.00 N ATOM 0 H ARG B 11 -4.705 3.824 0.141 1.00 0.00 H new ATOM 0 HA ARG B 11 -6.890 2.237 0.607 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.468 3.248 2.307 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.052 4.843 1.877 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.425 3.653 2.467 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.366 2.704 3.491 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.492 4.858 4.504 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.664 5.743 3.548 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.072 3.609 4.900 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -7.386 6.685 5.889 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -8.438 6.903 7.292 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -10.406 3.984 6.698 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -10.141 5.380 7.748 1.00 0.00 H new ATOM 702 N LYS B 12 -7.803 5.346 -0.345 1.00 0.00 N ATOM 703 CA LYS B 12 -8.843 6.176 -0.971 1.00 0.00 C ATOM 704 C LYS B 12 -9.415 5.502 -2.227 1.00 0.00 C ATOM 705 O LYS B 12 -10.626 5.286 -2.326 1.00 0.00 O ATOM 706 CB LYS B 12 -8.351 7.633 -1.253 1.00 0.00 C ATOM 707 CG LYS B 12 -8.039 8.461 0.023 1.00 0.00 C ATOM 708 CD LYS B 12 -7.271 9.781 -0.216 1.00 0.00 C ATOM 709 CE LYS B 12 -6.829 10.483 1.083 1.00 0.00 C ATOM 710 NZ LYS B 12 -6.059 11.715 0.785 1.00 0.00 N ATOM 0 H LYS B 12 -6.997 5.903 -0.060 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.658 6.266 -0.253 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -7.454 7.588 -1.871 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.112 8.155 -1.833 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -8.979 8.693 0.524 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.458 7.841 0.705 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.391 9.574 -0.825 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -7.902 10.460 -0.789 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -7.705 10.733 1.682 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -6.219 9.804 1.679 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.773 12.169 1.676 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -5.212 11.470 0.233 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -6.652 12.371 0.237 1.00 0.00 H new ATOM 724 N LEU B 13 -8.514 5.100 -3.166 1.00 0.00 N ATOM 725 CA LEU B 13 -8.742 4.377 -4.399 1.00 0.00 C ATOM 726 C LEU B 13 -9.367 2.991 -4.153 1.00 0.00 C ATOM 727 O LEU B 13 -10.434 2.709 -4.693 1.00 0.00 O ATOM 728 CB LEU B 13 -7.399 4.310 -5.180 1.00 0.00 C ATOM 729 CG LEU B 13 -7.370 3.417 -6.448 1.00 0.00 C ATOM 730 CD1 LEU B 13 -8.413 3.838 -7.524 1.00 0.00 C ATOM 731 CD2 LEU B 13 -5.906 3.273 -6.944 1.00 0.00 C ATOM 0 H LEU B 13 -7.522 5.306 -3.044 1.00 0.00 H new ATOM 0 HA LEU B 13 -9.476 4.906 -5.007 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.125 5.324 -5.472 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -6.627 3.956 -4.497 1.00 0.00 H new ATOM 0 HG LEU B 13 -7.709 2.413 -6.191 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -8.338 3.172 -8.383 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -9.416 3.775 -7.102 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -8.216 4.862 -7.841 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -5.884 2.646 -7.835 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -5.504 4.258 -7.183 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -5.300 2.814 -6.162 1.00 0.00 H new ATOM 743 N ALA B 14 -8.719 2.108 -3.337 1.00 0.00 N ATOM 744 CA ALA B 14 -9.107 0.761 -2.935 1.00 0.00 C ATOM 745 C ALA B 14 -10.513 0.712 -2.413 1.00 0.00 C ATOM 746 O ALA B 14 -11.280 -0.153 -2.847 1.00 0.00 O ATOM 747 CB ALA B 14 -8.218 0.150 -1.837 1.00 0.00 C ATOM 0 H ALA B 14 -7.828 2.367 -2.914 1.00 0.00 H new ATOM 0 HA ALA B 14 -8.998 0.184 -3.853 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -8.574 -0.852 -1.596 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.189 0.094 -2.192 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.261 0.775 -0.945 1.00 0.00 H new ATOM 753 N ILE B 15 -10.878 1.664 -1.486 1.00 0.00 N ATOM 754 CA ILE B 15 -12.200 1.780 -0.919 1.00 0.00 C ATOM 755 C ILE B 15 -13.192 1.911 -2.078 1.00 0.00 C ATOM 756 O ILE B 15 -14.090 1.076 -2.187 1.00 0.00 O ATOM 757 CB ILE B 15 -12.507 2.839 0.166 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.471 2.982 1.324 1.00 0.00 C ATOM 759 CG2 ILE B 15 -13.879 2.429 0.762 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.037 4.421 1.528 1.00 0.00 C ATOM 0 H ILE B 15 -10.226 2.364 -1.131 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.292 0.869 -0.327 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.482 3.815 -0.318 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.906 2.601 2.248 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.597 2.368 1.106 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.163 3.136 1.541 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.633 2.433 -0.025 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.806 1.429 1.189 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.316 4.471 2.344 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.577 4.795 0.614 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.906 5.032 1.773 1.00 0.00 H new ATOM 772 N GLU B 16 -13.005 2.955 -2.948 1.00 0.00 N ATOM 773 CA GLU B 16 -13.812 3.282 -4.108 1.00 0.00 C ATOM 774 C GLU B 16 -14.062 2.080 -5.052 1.00 0.00 C ATOM 775 O GLU B 16 -15.176 1.950 -5.570 1.00 0.00 O ATOM 776 CB GLU B 16 -13.178 4.471 -4.918 1.00 0.00 C ATOM 777 CG GLU B 16 -14.115 5.175 -5.930 1.00 0.00 C ATOM 778 CD GLU B 16 -13.388 6.328 -6.632 1.00 0.00 C ATOM 779 OE1 GLU B 16 -12.468 6.051 -7.448 1.00 0.00 O ATOM 780 OE2 GLU B 16 -13.756 7.505 -6.366 1.00 0.00 O ATOM 0 H GLU B 16 -12.234 3.612 -2.826 1.00 0.00 H new ATOM 0 HA GLU B 16 -14.783 3.580 -3.713 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -12.815 5.216 -4.209 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -12.309 4.095 -5.458 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -14.465 4.455 -6.670 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -14.996 5.555 -5.413 1.00 0.00 H new ATOM 787 N ARG B 17 -13.047 1.179 -5.274 1.00 0.00 N ATOM 788 CA ARG B 17 -13.112 -0.037 -6.091 1.00 0.00 C ATOM 789 C ARG B 17 -14.186 -0.990 -5.552 1.00 0.00 C ATOM 790 O ARG B 17 -15.107 -1.353 -6.289 1.00 0.00 O ATOM 791 CB ARG B 17 -11.757 -0.814 -6.249 1.00 0.00 C ATOM 792 CG ARG B 17 -10.616 -0.074 -6.994 1.00 0.00 C ATOM 793 CD ARG B 17 -9.349 -0.917 -7.282 1.00 0.00 C ATOM 794 NE ARG B 17 -8.590 -1.222 -6.003 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.056 -2.436 -5.642 1.00 0.00 C ATOM 796 NH1 ARG B 17 -8.199 -3.567 -6.395 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.349 -2.520 -4.473 1.00 0.00 N ATOM 0 H ARG B 17 -12.125 1.308 -4.857 1.00 0.00 H new ATOM 0 HA ARG B 17 -13.368 0.318 -7.089 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -11.399 -1.080 -5.255 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -11.959 -1.747 -6.775 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -11.006 0.298 -7.941 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -10.326 0.796 -6.405 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -9.633 -1.849 -7.771 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -8.700 -0.379 -7.973 1.00 0.00 H new ATOM 0 HE ARG B 17 -8.464 -0.451 -5.348 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.722 -3.534 -7.270 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -7.783 -4.444 -6.082 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.227 -1.692 -3.890 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.944 -3.411 -4.185 1.00 0.00 H new ATOM 811 N ASP B 18 -14.077 -1.382 -4.247 1.00 0.00 N ATOM 812 CA ASP B 18 -14.967 -2.256 -3.480 1.00 0.00 C ATOM 813 C ASP B 18 -16.408 -1.731 -3.446 1.00 0.00 C ATOM 814 O ASP B 18 -17.335 -2.448 -3.830 1.00 0.00 O ATOM 815 CB ASP B 18 -14.459 -2.533 -2.022 1.00 0.00 C ATOM 816 CG ASP B 18 -13.107 -3.262 -1.993 1.00 0.00 C ATOM 817 OD1 ASP B 18 -13.041 -4.424 -2.476 1.00 0.00 O ATOM 818 OD2 ASP B 18 -12.128 -2.667 -1.468 1.00 0.00 O ATOM 0 H ASP B 18 -13.296 -1.059 -3.675 1.00 0.00 H new ATOM 0 HA ASP B 18 -14.957 -3.207 -4.013 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -14.369 -1.587 -1.487 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -15.200 -3.130 -1.491 1.00 0.00 H new ATOM 823 N THR B 19 -16.587 -0.455 -3.002 1.00 0.00 N ATOM 824 CA THR B 19 -17.806 0.345 -2.878 1.00 0.00 C ATOM 825 C THR B 19 -18.562 0.388 -4.230 1.00 0.00 C ATOM 826 O THR B 19 -19.739 -0.063 -4.244 1.00 0.00 O ATOM 827 CB THR B 19 -17.540 1.784 -2.388 1.00 0.00 C ATOM 828 OG1 THR B 19 -16.448 2.347 -3.042 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.299 1.874 -0.868 1.00 0.00 C ATOM 830 OXT THR B 19 -17.987 0.854 -5.251 1.00 0.00 O ATOM 0 H THR B 19 -15.779 0.084 -2.691 1.00 0.00 H new ATOM 0 HA THR B 19 -18.419 -0.144 -2.121 1.00 0.00 H new ATOM 0 HB THR B 19 -18.448 2.339 -2.623 1.00 0.00 H new ATOM 0 HG1 THR B 19 -15.624 1.917 -2.732 1.00 0.00 H new ATOM 0 HG21 THR B 19 -17.118 2.912 -0.589 1.00 0.00 H new ATOM 0 HG22 THR B 19 -18.176 1.503 -0.338 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.432 1.270 -0.601 1.00 0.00 H new TER 838 THR B 19