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= -0.587 USER MOD Set 1.2: B 7 HIS : no HE2:sc= -2.73 K(o=-3.3,f=0.2) 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 -27:sc= 0.0326 USER MOD Single : A 6 G O2' : rot -17:sc= 0.0758 USER MOD Single : A 7 C O2' : rot -107:sc= 0.631 USER MOD Single : A 8 U O2' : rot -20:sc= 0.119 USER MOD Single : A 9 G O2' : rot -170:sc= 0.519 USER MOD Single : A 10 A O2' : rot -162:sc= -0.265 USER MOD Single : A 12 A O2' : rot -25:sc= 0.0348 USER MOD Single : A 13 A O2' : rot -28:sc= 0.0161 USER MOD Single : A 14 A O2' : rot 180:sc= 0 USER MOD Single : A 15 G O2' : rot -14:sc= 0.0444 USER MOD Single : A 16 C O2' : rot -19:sc= 0.0133 USER MOD Single : A 17 G O2' : rot -28:sc= 0.0334 USER MOD Single : A 18 C O2' : rot -16:sc= 0.0405 USER MOD Single : A 18 C O3' : rot 180:sc= 0.0521 USER MOD Single : B 1 ASN : amide:sc= -0.0481 X(o=-0.048,f=-0.25) USER MOD Single : B 1 ASN N :NH3+ -156:sc= 0.0039 (180deg=0) USER MOD Single : B 3 LYS NZ :NH3+ 156:sc= 0.281 (180deg=0.112) 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 35:sc= -0.722 USER MOD ----------------------------------------------------------------- ATOM 1 O5' G A 4 9.979 7.162 7.458 1.00 0.00 O ATOM 2 C5' G A 4 11.036 6.298 7.058 1.00 0.00 C ATOM 3 C4' G A 4 11.685 6.814 5.763 1.00 0.00 C ATOM 4 O4' G A 4 12.770 5.933 5.356 1.00 0.00 O ATOM 5 C3' G A 4 10.756 6.812 4.546 1.00 0.00 C ATOM 6 O3' G A 4 9.908 7.966 4.478 1.00 0.00 O ATOM 7 C2' G A 4 11.716 6.702 3.371 1.00 0.00 C ATOM 8 O2' G A 4 12.069 7.925 2.720 1.00 0.00 O ATOM 9 C1' G A 4 12.944 6.013 3.933 1.00 0.00 C ATOM 10 N9 G A 4 13.202 4.688 3.322 1.00 0.00 N ATOM 11 C8 G A 4 13.089 3.479 3.900 1.00 0.00 C ATOM 12 N7 G A 4 13.389 2.465 3.123 1.00 0.00 N ATOM 13 C5 G A 4 13.726 3.048 1.927 1.00 0.00 C ATOM 14 C6 G A 4 14.127 2.431 0.732 1.00 0.00 C ATOM 15 O6 G A 4 14.255 1.214 0.570 1.00 0.00 O ATOM 16 N1 G A 4 14.384 3.394 -0.292 1.00 0.00 N ATOM 17 C2 G A 4 14.266 4.789 -0.166 1.00 0.00 C ATOM 18 N2 G A 4 14.575 5.449 -1.318 1.00 0.00 N ATOM 19 N3 G A 4 13.874 5.342 1.014 1.00 0.00 N ATOM 20 C4 G A 4 13.622 4.437 2.003 1.00 0.00 C ATOM 0 H5' G A 4 10.652 5.290 6.904 1.00 0.00 H new ATOM 0 H5'' G A 4 11.784 6.237 7.849 1.00 0.00 H new ATOM 0 H4' G A 4 11.991 7.830 6.013 1.00 0.00 H new ATOM 0 H3' G A 4 10.036 5.994 4.574 1.00 0.00 H new ATOM 0 H2' G A 4 11.221 6.152 2.571 1.00 0.00 H new ATOM 0 HO2' G A 4 12.688 7.737 1.984 1.00 0.00 H new ATOM 0 HO5' G A 4 9.573 6.822 8.282 1.00 0.00 H new ATOM 0 H1' G A 4 13.833 6.595 3.689 1.00 0.00 H new ATOM 0 H8 G A 4 12.775 3.352 4.926 1.00 0.00 H new ATOM 0 H1 G A 4 14.681 3.035 -1.200 1.00 0.00 H new ATOM 0 H21 G A 4 14.526 6.467 -1.351 1.00 0.00 H new ATOM 0 H22 G A 4 14.855 4.924 -2.147 1.00 0.00 H new ATOM 33 P C A 5 8.514 7.955 3.710 1.00 0.00 P ATOM 34 OP1 C A 5 7.866 9.268 3.933 1.00 0.00 O ATOM 35 OP2 C A 5 7.746 6.757 4.122 1.00 0.00 O ATOM 36 O5' C A 5 8.902 7.794 2.172 1.00 0.00 O ATOM 37 C5' C A 5 9.262 8.898 1.344 1.00 0.00 C ATOM 38 C4' C A 5 9.522 8.517 -0.143 1.00 0.00 C ATOM 39 O4' C A 5 10.770 7.771 -0.356 1.00 0.00 O ATOM 40 C3' C A 5 8.438 7.676 -0.818 1.00 0.00 C ATOM 41 O3' C A 5 7.321 8.474 -1.214 1.00 0.00 O ATOM 42 C2' C A 5 9.189 6.998 -1.973 1.00 0.00 C ATOM 43 O2' C A 5 9.271 7.804 -3.147 1.00 0.00 O ATOM 44 C1' C A 5 10.574 6.735 -1.358 1.00 0.00 C ATOM 45 N1 C A 5 10.705 5.368 -0.752 1.00 0.00 N ATOM 46 C2 C A 5 11.063 4.246 -1.581 1.00 0.00 C ATOM 47 O2 C A 5 11.261 4.355 -2.805 1.00 0.00 O ATOM 48 N3 C A 5 11.186 3.013 -0.977 1.00 0.00 N ATOM 49 C4 C A 5 10.983 2.841 0.355 1.00 0.00 C ATOM 50 N4 C A 5 11.096 1.611 0.927 1.00 0.00 N ATOM 51 C5 C A 5 10.629 3.972 1.179 1.00 0.00 C ATOM 52 C6 C A 5 10.503 5.166 0.592 1.00 0.00 C ATOM 0 H5' C A 5 10.158 9.366 1.750 1.00 0.00 H new ATOM 0 H5'' C A 5 8.467 9.643 1.384 1.00 0.00 H new ATOM 0 H4' C A 5 9.555 9.509 -0.593 1.00 0.00 H new ATOM 0 H3' C A 5 7.976 6.935 -0.165 1.00 0.00 H new ATOM 0 H2' C A 5 8.685 6.099 -2.327 1.00 0.00 H new ATOM 0 HO2' C A 5 8.509 8.420 -3.175 1.00 0.00 H new ATOM 0 H1' C A 5 11.336 6.766 -2.136 1.00 0.00 H new ATOM 0 H41 C A 5 10.940 1.498 1.929 1.00 0.00 H new ATOM 0 H42 C A 5 11.336 0.802 0.354 1.00 0.00 H new ATOM 0 H5 C A 5 10.470 3.856 2.241 1.00 0.00 H new ATOM 0 H6 C A 5 10.229 6.013 1.204 1.00 0.00 H new ATOM 64 P G A 6 5.890 7.850 -1.505 1.00 0.00 P ATOM 65 OP1 G A 6 4.903 8.950 -1.513 1.00 0.00 O ATOM 66 OP2 G A 6 5.626 6.730 -0.569 1.00 0.00 O ATOM 67 O5' G A 6 6.062 7.327 -2.996 1.00 0.00 O ATOM 68 C5' G A 6 5.598 6.047 -3.404 1.00 0.00 C ATOM 69 C4' G A 6 6.366 5.566 -4.649 1.00 0.00 C ATOM 70 O4' G A 6 7.715 5.129 -4.286 1.00 0.00 O ATOM 71 C3' G A 6 5.719 4.351 -5.321 1.00 0.00 C ATOM 72 O3' G A 6 4.858 4.768 -6.385 1.00 0.00 O ATOM 73 C2' G A 6 6.898 3.497 -5.804 1.00 0.00 C ATOM 74 O2' G A 6 7.381 3.849 -7.101 1.00 0.00 O ATOM 75 C1' G A 6 7.959 3.794 -4.737 1.00 0.00 C ATOM 76 N9 G A 6 8.127 2.849 -3.591 1.00 0.00 N ATOM 77 C8 G A 6 7.956 3.076 -2.260 1.00 0.00 C ATOM 78 N7 G A 6 8.221 2.056 -1.484 1.00 0.00 N ATOM 79 C5 G A 6 8.598 1.065 -2.348 1.00 0.00 C ATOM 80 C6 G A 6 8.990 -0.243 -2.048 1.00 0.00 C ATOM 81 O6 G A 6 9.063 -0.722 -0.911 1.00 0.00 O ATOM 82 N1 G A 6 9.302 -0.974 -3.229 1.00 0.00 N ATOM 83 C2 G A 6 9.241 -0.486 -4.549 1.00 0.00 C ATOM 84 N2 G A 6 9.580 -1.414 -5.485 1.00 0.00 N ATOM 85 N3 G A 6 8.858 0.795 -4.790 1.00 0.00 N ATOM 86 C4 G A 6 8.553 1.511 -3.672 1.00 0.00 C ATOM 0 H5' G A 6 4.531 6.093 -3.623 1.00 0.00 H new ATOM 0 H5'' G A 6 5.726 5.331 -2.592 1.00 0.00 H new ATOM 0 H4' G A 6 6.365 6.420 -5.326 1.00 0.00 H new ATOM 0 H3' G A 6 5.080 3.779 -4.649 1.00 0.00 H new ATOM 0 H2' G A 6 6.623 2.448 -5.912 1.00 0.00 H new ATOM 0 HO2' G A 6 6.708 4.390 -7.565 1.00 0.00 H new ATOM 0 H1' G A 6 8.920 3.656 -5.232 1.00 0.00 H new ATOM 0 H8 G A 6 7.626 4.028 -1.872 1.00 0.00 H new ATOM 0 H1 G A 6 9.598 -1.943 -3.108 1.00 0.00 H new ATOM 0 H21 G A 6 9.570 -1.167 -6.475 1.00 0.00 H new ATOM 0 H22 G A 6 9.844 -2.356 -5.197 1.00 0.00 H new ATOM 98 P C A 7 3.424 4.134 -6.614 1.00 0.00 P ATOM 99 OP1 C A 7 2.827 4.742 -7.826 1.00 0.00 O ATOM 100 OP2 C A 7 2.637 4.230 -5.363 1.00 0.00 O ATOM 101 O5' C A 7 3.764 2.615 -6.878 1.00 0.00 O ATOM 102 C5' C A 7 4.248 2.098 -8.114 1.00 0.00 C ATOM 103 C4' C A 7 4.586 0.585 -8.022 1.00 0.00 C ATOM 104 O4' C A 7 5.805 0.348 -7.226 1.00 0.00 O ATOM 105 C3' C A 7 3.529 -0.229 -7.272 1.00 0.00 C ATOM 106 O3' C A 7 2.279 -0.480 -7.903 1.00 0.00 O ATOM 107 C2' C A 7 4.277 -1.417 -6.705 1.00 0.00 C ATOM 108 O2' C A 7 4.351 -2.574 -7.527 1.00 0.00 O ATOM 109 C1' C A 7 5.700 -0.904 -6.497 1.00 0.00 C ATOM 110 N1 C A 7 5.870 -0.795 -5.022 1.00 0.00 N ATOM 111 C2 C A 7 6.225 -1.974 -4.261 1.00 0.00 C ATOM 112 O2 C A 7 6.486 -3.064 -4.803 1.00 0.00 O ATOM 113 N3 C A 7 6.268 -1.870 -2.888 1.00 0.00 N ATOM 114 C4 C A 7 5.989 -0.700 -2.255 1.00 0.00 C ATOM 115 N4 C A 7 6.017 -0.626 -0.891 1.00 0.00 N ATOM 116 C5 C A 7 5.646 0.463 -3.049 1.00 0.00 C ATOM 117 C6 C A 7 5.604 0.370 -4.363 1.00 0.00 C ATOM 0 H5' C A 7 5.139 2.650 -8.414 1.00 0.00 H new ATOM 0 H5'' C A 7 3.499 2.255 -8.890 1.00 0.00 H new ATOM 0 H4' C A 7 4.674 0.282 -9.065 1.00 0.00 H new ATOM 0 H3' C A 7 3.095 0.380 -6.479 1.00 0.00 H new ATOM 0 H2' C A 7 3.743 -1.751 -5.815 1.00 0.00 H new ATOM 0 HO2' C A 7 3.756 -3.267 -7.171 1.00 0.00 H new ATOM 0 H1' C A 7 6.497 -1.545 -6.874 1.00 0.00 H new ATOM 0 H41 C A 7 5.806 0.256 -0.424 1.00 0.00 H new ATOM 0 H42 C A 7 6.249 -1.453 -0.340 1.00 0.00 H new ATOM 0 H5 C A 7 5.425 1.403 -2.565 1.00 0.00 H new ATOM 0 H6 C A 7 5.350 1.248 -4.939 1.00 0.00 H new ATOM 129 P U A 8 1.828 -1.218 -9.225 1.00 0.00 P ATOM 130 OP1 U A 8 2.790 -0.911 -10.309 1.00 0.00 O ATOM 131 OP2 U A 8 0.410 -0.873 -9.483 1.00 0.00 O ATOM 132 O5' U A 8 1.936 -2.775 -8.898 1.00 0.00 O ATOM 133 C5' U A 8 1.146 -3.391 -7.889 1.00 0.00 C ATOM 134 C4' U A 8 1.561 -4.867 -7.661 1.00 0.00 C ATOM 135 O4' U A 8 2.875 -5.006 -7.023 1.00 0.00 O ATOM 136 C3' U A 8 0.592 -5.619 -6.754 1.00 0.00 C ATOM 137 O3' U A 8 -0.392 -6.300 -7.534 1.00 0.00 O ATOM 138 C2' U A 8 1.468 -6.592 -5.950 1.00 0.00 C ATOM 139 O2' U A 8 1.659 -7.861 -6.579 1.00 0.00 O ATOM 140 C1' U A 8 2.804 -5.844 -5.853 1.00 0.00 C ATOM 141 N1 U A 8 3.057 -5.081 -4.578 1.00 0.00 N ATOM 142 C2 U A 8 3.331 -5.824 -3.374 1.00 0.00 C ATOM 143 O2 U A 8 3.366 -7.058 -3.290 1.00 0.00 O ATOM 144 N3 U A 8 3.572 -5.020 -2.233 1.00 0.00 N ATOM 145 C4 U A 8 3.566 -3.600 -2.179 1.00 0.00 C ATOM 146 O4 U A 8 3.794 -2.995 -1.128 1.00 0.00 O ATOM 147 C5 U A 8 3.278 -2.953 -3.444 1.00 0.00 C ATOM 148 C6 U A 8 3.044 -3.693 -4.547 1.00 0.00 C ATOM 0 H5' U A 8 0.094 -3.348 -8.172 1.00 0.00 H new ATOM 0 H5'' U A 8 1.248 -2.836 -6.957 1.00 0.00 H new ATOM 0 H4' U A 8 1.569 -5.283 -8.668 1.00 0.00 H new ATOM 0 H3' U A 8 0.037 -4.956 -6.091 1.00 0.00 H new ATOM 0 H2' U A 8 1.007 -6.839 -4.994 1.00 0.00 H new ATOM 0 HO2' U A 8 0.953 -8.006 -7.243 1.00 0.00 H new ATOM 0 H1' U A 8 3.606 -6.581 -5.817 1.00 0.00 H new ATOM 0 H3 U A 8 3.770 -5.510 -1.361 1.00 0.00 H new ATOM 0 H5 U A 8 3.251 -1.875 -3.503 1.00 0.00 H new ATOM 0 H6 U A 8 2.832 -3.171 -5.468 1.00 0.00 H new ATOM 159 P G A 9 -1.933 -6.357 -7.188 1.00 0.00 P ATOM 160 OP1 G A 9 -2.594 -7.290 -8.130 1.00 0.00 O ATOM 161 OP2 G A 9 -2.466 -4.978 -7.142 1.00 0.00 O ATOM 162 O5' G A 9 -1.959 -6.957 -5.723 1.00 0.00 O ATOM 163 C5' G A 9 -1.770 -8.337 -5.434 1.00 0.00 C ATOM 164 C4' G A 9 -1.748 -8.624 -3.910 1.00 0.00 C ATOM 165 O4' G A 9 -0.518 -8.128 -3.281 1.00 0.00 O ATOM 166 C3' G A 9 -2.892 -7.966 -3.125 1.00 0.00 C ATOM 167 O3' G A 9 -4.064 -8.778 -3.161 1.00 0.00 O ATOM 168 C2' G A 9 -2.303 -7.761 -1.724 1.00 0.00 C ATOM 169 O2' G A 9 -2.447 -8.906 -0.881 1.00 0.00 O ATOM 170 C1' G A 9 -0.803 -7.501 -2.017 1.00 0.00 C ATOM 171 N9 G A 9 -0.365 -6.063 -2.067 1.00 0.00 N ATOM 172 C8 G A 9 -0.266 -5.230 -3.145 1.00 0.00 C ATOM 173 N7 G A 9 0.124 -4.013 -2.879 1.00 0.00 N ATOM 174 C5 G A 9 0.308 -4.004 -1.532 1.00 0.00 C ATOM 175 C6 G A 9 0.726 -2.938 -0.732 1.00 0.00 C ATOM 176 O6 G A 9 0.995 -1.809 -1.148 1.00 0.00 O ATOM 177 N1 G A 9 0.806 -3.316 0.632 1.00 0.00 N ATOM 178 C2 G A 9 0.511 -4.588 1.152 1.00 0.00 C ATOM 179 N2 G A 9 0.696 -4.661 2.491 1.00 0.00 N ATOM 180 N3 G A 9 0.103 -5.601 0.340 1.00 0.00 N ATOM 181 C4 G A 9 0.021 -5.256 -0.974 1.00 0.00 C ATOM 0 H5' G A 9 -0.833 -8.673 -5.878 1.00 0.00 H new ATOM 0 H5'' G A 9 -2.569 -8.915 -5.898 1.00 0.00 H new ATOM 0 H4' G A 9 -1.838 -9.709 -3.861 1.00 0.00 H new ATOM 0 H3' G A 9 -3.230 -7.016 -3.540 1.00 0.00 H new ATOM 0 H2' G A 9 -2.808 -6.958 -1.187 1.00 0.00 H new ATOM 0 HO2' G A 9 -2.198 -8.670 0.037 1.00 0.00 H new ATOM 0 H1' G A 9 -0.246 -7.912 -1.175 1.00 0.00 H new ATOM 0 H8 G A 9 -0.495 -5.556 -4.149 1.00 0.00 H new ATOM 0 H1 G A 9 1.104 -2.601 1.295 1.00 0.00 H new ATOM 0 H21 G A 9 0.514 -5.535 2.984 1.00 0.00 H new ATOM 0 H22 G A 9 1.017 -3.842 3.007 1.00 0.00 H new ATOM 193 P A A 10 -5.398 -8.424 -3.956 1.00 0.00 P ATOM 194 OP1 A A 10 -6.086 -9.692 -4.295 1.00 0.00 O ATOM 195 OP2 A A 10 -5.095 -7.516 -5.087 1.00 0.00 O ATOM 196 O5' A A 10 -6.274 -7.619 -2.901 1.00 0.00 O ATOM 197 C5' A A 10 -6.660 -8.215 -1.664 1.00 0.00 C ATOM 198 C4' A A 10 -6.750 -7.174 -0.526 1.00 0.00 C ATOM 199 O4' A A 10 -6.861 -7.888 0.739 1.00 0.00 O ATOM 200 C3' A A 10 -5.523 -6.252 -0.392 1.00 0.00 C ATOM 201 O3' A A 10 -5.864 -4.899 -0.715 1.00 0.00 O ATOM 202 C2' A A 10 -4.976 -6.461 1.030 1.00 0.00 C ATOM 203 O2' A A 10 -4.720 -5.266 1.761 1.00 0.00 O ATOM 204 C1' A A 10 -6.033 -7.312 1.745 1.00 0.00 C ATOM 205 N9 A A 10 -5.449 -8.453 2.492 1.00 0.00 N ATOM 206 C8 A A 10 -4.634 -9.460 2.053 1.00 0.00 C ATOM 207 N7 A A 10 -4.305 -10.330 2.982 1.00 0.00 N ATOM 208 C5 A A 10 -4.937 -9.873 4.112 1.00 0.00 C ATOM 209 C6 A A 10 -4.954 -10.396 5.424 1.00 0.00 C ATOM 210 N6 A A 10 -4.252 -11.536 5.711 1.00 0.00 N ATOM 211 N1 A A 10 -5.705 -9.672 6.324 1.00 0.00 N ATOM 212 C2 A A 10 -6.344 -8.567 5.918 1.00 0.00 C ATOM 213 N3 A A 10 -6.389 -8.007 4.726 1.00 0.00 N ATOM 214 C4 A A 10 -5.652 -8.716 3.846 1.00 0.00 C ATOM 0 H5' A A 10 -5.940 -8.988 -1.393 1.00 0.00 H new ATOM 0 H5'' A A 10 -7.626 -8.707 -1.784 1.00 0.00 H new ATOM 0 H4' A A 10 -7.610 -6.549 -0.768 1.00 0.00 H new ATOM 0 H3' A A 10 -4.734 -6.496 -1.103 1.00 0.00 H new ATOM 0 H2' A A 10 -3.997 -6.937 0.968 1.00 0.00 H new ATOM 0 HO2' A A 10 -4.121 -5.463 2.511 1.00 0.00 H new ATOM 0 H1' A A 10 -6.559 -6.664 2.446 1.00 0.00 H new ATOM 0 H8 A A 10 -4.291 -9.534 1.032 1.00 0.00 H new ATOM 0 H61 A A 10 -4.262 -11.916 6.657 1.00 0.00 H new ATOM 0 H62 A A 10 -3.719 -12.005 4.978 1.00 0.00 H new ATOM 0 H2 A A 10 -6.909 -8.057 6.685 1.00 0.00 H new ATOM 226 P C A 11 -5.348 -4.182 -2.049 1.00 0.00 P ATOM 227 OP1 C A 11 -6.442 -4.185 -3.049 1.00 0.00 O ATOM 228 OP2 C A 11 -4.053 -4.761 -2.474 1.00 0.00 O ATOM 229 O5' C A 11 -5.057 -2.696 -1.576 1.00 0.00 O ATOM 230 C5' C A 11 -6.074 -1.805 -1.134 1.00 0.00 C ATOM 231 C4' C A 11 -5.677 -1.075 0.175 1.00 0.00 C ATOM 232 O4' C A 11 -6.811 -0.332 0.709 1.00 0.00 O ATOM 233 C3' C A 11 -5.294 -2.024 1.303 1.00 0.00 C ATOM 234 O3' C A 11 -3.979 -1.707 1.724 1.00 0.00 O ATOM 235 C2' C A 11 -6.352 -1.873 2.393 1.00 0.00 C ATOM 236 O2' C A 11 -5.894 -2.112 3.720 1.00 0.00 O ATOM 237 C1' C A 11 -6.907 -0.475 2.142 1.00 0.00 C ATOM 238 N1 C A 11 -8.339 -0.401 2.602 1.00 0.00 N ATOM 239 C2 C A 11 -8.660 -0.049 3.971 1.00 0.00 C ATOM 240 O2 C A 11 -7.781 0.220 4.816 1.00 0.00 O ATOM 241 N3 C A 11 -9.995 -0.019 4.334 1.00 0.00 N ATOM 242 C4 C A 11 -10.987 -0.309 3.447 1.00 0.00 C ATOM 243 N4 C A 11 -12.305 -0.293 3.804 1.00 0.00 N ATOM 244 C5 C A 11 -10.649 -0.655 2.086 1.00 0.00 C ATOM 245 C6 C A 11 -9.370 -0.687 1.732 1.00 0.00 C ATOM 0 H5' C A 11 -6.998 -2.360 -0.974 1.00 0.00 H new ATOM 0 H5'' C A 11 -6.275 -1.069 -1.913 1.00 0.00 H new ATOM 0 H4' C A 11 -4.833 -0.446 -0.108 1.00 0.00 H new ATOM 0 H3' C A 11 -5.276 -3.072 1.003 1.00 0.00 H new ATOM 0 H2' C A 11 -7.122 -2.642 2.330 1.00 0.00 H new ATOM 0 HO2' C A 11 -6.421 -1.577 4.349 1.00 0.00 H new ATOM 0 H1' C A 11 -6.374 0.311 2.677 1.00 0.00 H new ATOM 0 H41 C A 11 -13.023 -0.515 3.114 1.00 0.00 H new ATOM 0 H42 C A 11 -12.571 -0.059 4.760 1.00 0.00 H new ATOM 0 H5 C A 11 -11.423 -0.884 1.369 1.00 0.00 H new ATOM 0 H6 C A 11 -9.125 -0.950 0.713 1.00 0.00 H new ATOM 257 P A A 12 -2.610 -2.439 1.438 1.00 0.00 P ATOM 258 OP1 A A 12 -1.537 -1.418 1.451 1.00 0.00 O ATOM 259 OP2 A A 12 -2.713 -3.270 0.216 1.00 0.00 O ATOM 260 O5' A A 12 -2.427 -3.404 2.687 1.00 0.00 O ATOM 261 C5' A A 12 -2.457 -2.886 4.017 1.00 0.00 C ATOM 262 C4' A A 12 -2.508 -3.984 5.103 1.00 0.00 C ATOM 263 O4' A A 12 -3.211 -5.189 4.635 1.00 0.00 O ATOM 264 C3' A A 12 -1.139 -4.499 5.548 1.00 0.00 C ATOM 265 O3' A A 12 -0.498 -3.619 6.476 1.00 0.00 O ATOM 266 C2' A A 12 -1.475 -5.873 6.127 1.00 0.00 C ATOM 267 O2' A A 12 -1.907 -5.850 7.487 1.00 0.00 O ATOM 268 C1' A A 12 -2.585 -6.362 5.180 1.00 0.00 C ATOM 269 N9 A A 12 -2.136 -7.311 4.101 1.00 0.00 N ATOM 270 C8 A A 12 -2.062 -7.149 2.739 1.00 0.00 C ATOM 271 N7 A A 12 -1.665 -8.206 2.081 1.00 0.00 N ATOM 272 C5 A A 12 -1.447 -9.150 3.043 1.00 0.00 C ATOM 273 C6 A A 12 -1.012 -10.483 2.910 1.00 0.00 C ATOM 274 N6 A A 12 -0.778 -10.990 1.659 1.00 0.00 N ATOM 275 N1 A A 12 -0.889 -11.173 4.092 1.00 0.00 N ATOM 276 C2 A A 12 -1.180 -10.569 5.250 1.00 0.00 C ATOM 277 N3 A A 12 -1.601 -9.325 5.476 1.00 0.00 N ATOM 278 C4 A A 12 -1.720 -8.645 4.308 1.00 0.00 C ATOM 0 H5' A A 12 -3.326 -2.237 4.126 1.00 0.00 H new ATOM 0 H5'' A A 12 -1.574 -2.267 4.178 1.00 0.00 H new ATOM 0 H4' A A 12 -3.016 -3.482 5.926 1.00 0.00 H new ATOM 0 H3' A A 12 -0.408 -4.557 4.741 1.00 0.00 H new ATOM 0 H2' A A 12 -0.601 -6.522 6.172 1.00 0.00 H new ATOM 0 HO2' A A 12 -1.551 -5.051 7.930 1.00 0.00 H new ATOM 0 H1' A A 12 -3.285 -6.966 5.757 1.00 0.00 H new ATOM 0 H8 A A 12 -2.313 -6.220 2.250 1.00 0.00 H new ATOM 0 H61 A A 12 -0.463 -11.954 1.550 1.00 0.00 H new ATOM 0 H62 A A 12 -0.919 -10.404 0.836 1.00 0.00 H new ATOM 0 H2 A A 12 -1.055 -11.180 6.132 1.00 0.00 H new ATOM 290 P A A 13 1.035 -3.198 6.354 1.00 0.00 P ATOM 291 OP1 A A 13 1.293 -2.090 7.305 1.00 0.00 O ATOM 292 OP2 A A 13 1.369 -2.936 4.935 1.00 0.00 O ATOM 293 O5' A A 13 1.819 -4.502 6.824 1.00 0.00 O ATOM 294 C5' A A 13 1.819 -4.917 8.191 1.00 0.00 C ATOM 295 C4' A A 13 2.117 -6.426 8.369 1.00 0.00 C ATOM 296 O4' A A 13 1.132 -7.252 7.652 1.00 0.00 O ATOM 297 C3' A A 13 3.463 -6.905 7.816 1.00 0.00 C ATOM 298 O3' A A 13 4.575 -6.671 8.685 1.00 0.00 O ATOM 299 C2' A A 13 3.203 -8.396 7.584 1.00 0.00 C ATOM 300 O2' A A 13 3.275 -9.197 8.766 1.00 0.00 O ATOM 301 C1' A A 13 1.780 -8.375 7.013 1.00 0.00 C ATOM 302 N9 A A 13 1.718 -8.295 5.510 1.00 0.00 N ATOM 303 C8 A A 13 1.381 -7.240 4.715 1.00 0.00 C ATOM 304 N7 A A 13 1.412 -7.476 3.432 1.00 0.00 N ATOM 305 C5 A A 13 1.796 -8.778 3.333 1.00 0.00 C ATOM 306 C6 A A 13 1.996 -9.565 2.185 1.00 0.00 C ATOM 307 N6 A A 13 1.785 -9.019 0.943 1.00 0.00 N ATOM 308 N1 A A 13 2.389 -10.856 2.435 1.00 0.00 N ATOM 309 C2 A A 13 2.551 -11.276 3.694 1.00 0.00 C ATOM 310 N3 A A 13 2.387 -10.610 4.841 1.00 0.00 N ATOM 311 C4 A A 13 1.999 -9.333 4.593 1.00 0.00 C ATOM 0 H5' A A 13 0.849 -4.690 8.633 1.00 0.00 H new ATOM 0 H5'' A A 13 2.563 -4.339 8.740 1.00 0.00 H new ATOM 0 H4' A A 13 2.098 -6.539 9.453 1.00 0.00 H new ATOM 0 H3' A A 13 3.760 -6.360 6.920 1.00 0.00 H new ATOM 0 H2' A A 13 3.956 -8.850 6.940 1.00 0.00 H new ATOM 0 HO2' A A 13 3.884 -8.777 9.409 1.00 0.00 H new ATOM 0 H1' A A 13 1.274 -9.317 7.225 1.00 0.00 H new ATOM 0 H8 A A 13 1.108 -6.276 5.119 1.00 0.00 H new ATOM 0 H61 A A 13 1.928 -9.584 0.106 1.00 0.00 H new ATOM 0 H62 A A 13 1.485 -8.048 0.857 1.00 0.00 H new ATOM 0 H2 A A 13 2.860 -12.305 3.800 1.00 0.00 H new ATOM 323 P A A 14 5.959 -6.093 8.137 1.00 0.00 P ATOM 324 OP1 A A 14 6.907 -6.006 9.272 1.00 0.00 O ATOM 325 OP2 A A 14 5.697 -4.836 7.397 1.00 0.00 O ATOM 326 O5' A A 14 6.478 -7.181 7.095 1.00 0.00 O ATOM 327 C5' A A 14 6.918 -8.475 7.486 1.00 0.00 C ATOM 328 C4' A A 14 6.985 -9.503 6.322 1.00 0.00 C ATOM 329 O4' A A 14 5.666 -9.735 5.712 1.00 0.00 O ATOM 330 C3' A A 14 7.877 -9.121 5.137 1.00 0.00 C ATOM 331 O3' A A 14 9.255 -9.420 5.365 1.00 0.00 O ATOM 332 C2' A A 14 7.244 -9.924 3.987 1.00 0.00 C ATOM 333 O2' A A 14 7.595 -11.310 3.973 1.00 0.00 O ATOM 334 C1' A A 14 5.751 -9.742 4.273 1.00 0.00 C ATOM 335 N9 A A 14 5.187 -8.470 3.683 1.00 0.00 N ATOM 336 C8 A A 14 4.803 -7.341 4.336 1.00 0.00 C ATOM 337 N7 A A 14 4.382 -6.362 3.586 1.00 0.00 N ATOM 338 C5 A A 14 4.483 -6.855 2.317 1.00 0.00 C ATOM 339 C6 A A 14 4.168 -6.237 1.096 1.00 0.00 C ATOM 340 N6 A A 14 3.696 -4.954 1.102 1.00 0.00 N ATOM 341 N1 A A 14 4.382 -7.007 -0.017 1.00 0.00 N ATOM 342 C2 A A 14 4.858 -8.250 0.114 1.00 0.00 C ATOM 343 N3 A A 14 5.188 -8.926 1.221 1.00 0.00 N ATOM 344 C4 A A 14 4.974 -8.158 2.319 1.00 0.00 C ATOM 0 H5' A A 14 6.248 -8.857 8.256 1.00 0.00 H new ATOM 0 H5'' A A 14 7.906 -8.390 7.938 1.00 0.00 H new ATOM 0 H4' A A 14 7.398 -10.374 6.830 1.00 0.00 H new ATOM 0 H3' A A 14 7.909 -8.051 4.934 1.00 0.00 H new ATOM 0 H2' A A 14 7.580 -9.577 3.010 1.00 0.00 H new ATOM 0 HO2' A A 14 7.155 -11.751 3.217 1.00 0.00 H new ATOM 0 H1' A A 14 5.160 -10.534 3.814 1.00 0.00 H new ATOM 0 H8 A A 14 4.844 -7.260 5.412 1.00 0.00 H new ATOM 0 H61 A A 14 3.463 -4.492 0.223 1.00 0.00 H new ATOM 0 H62 A A 14 3.577 -4.459 1.986 1.00 0.00 H new ATOM 0 H2 A A 14 4.997 -8.789 -0.812 1.00 0.00 H new ATOM 356 P G A 15 10.427 -8.531 4.742 1.00 0.00 P ATOM 357 OP1 G A 15 11.717 -9.012 5.291 1.00 0.00 O ATOM 358 OP2 G A 15 10.120 -7.095 4.942 1.00 0.00 O ATOM 359 O5' G A 15 10.368 -8.839 3.179 1.00 0.00 O ATOM 360 C5' G A 15 10.614 -10.157 2.695 1.00 0.00 C ATOM 361 C4' G A 15 10.093 -10.391 1.257 1.00 0.00 C ATOM 362 O4' G A 15 8.686 -10.035 1.073 1.00 0.00 O ATOM 363 C3' G A 15 10.844 -9.656 0.151 1.00 0.00 C ATOM 364 O3' G A 15 12.014 -10.380 -0.231 1.00 0.00 O ATOM 365 C2' G A 15 9.791 -9.562 -0.959 1.00 0.00 C ATOM 366 O2' G A 15 9.707 -10.732 -1.775 1.00 0.00 O ATOM 367 C1' G A 15 8.502 -9.337 -0.165 1.00 0.00 C ATOM 368 N9 G A 15 8.106 -7.912 0.098 1.00 0.00 N ATOM 369 C8 G A 15 8.068 -7.256 1.290 1.00 0.00 C ATOM 370 N7 G A 15 7.675 -6.008 1.222 1.00 0.00 N ATOM 371 C5 G A 15 7.425 -5.794 -0.105 1.00 0.00 C ATOM 372 C6 G A 15 6.974 -4.618 -0.733 1.00 0.00 C ATOM 373 O6 G A 15 6.725 -3.545 -0.166 1.00 0.00 O ATOM 374 N1 G A 15 6.838 -4.810 -2.140 1.00 0.00 N ATOM 375 C2 G A 15 7.107 -6.001 -2.846 1.00 0.00 C ATOM 376 N2 G A 15 6.890 -5.886 -4.185 1.00 0.00 N ATOM 377 N3 G A 15 7.541 -7.111 -2.193 1.00 0.00 N ATOM 378 C4 G A 15 7.680 -6.954 -0.848 1.00 0.00 C ATOM 0 H5' G A 15 10.143 -10.876 3.365 1.00 0.00 H new ATOM 0 H5'' G A 15 11.686 -10.351 2.721 1.00 0.00 H new ATOM 0 H4' G A 15 10.256 -11.464 1.161 1.00 0.00 H new ATOM 0 H3' G A 15 11.225 -8.674 0.433 1.00 0.00 H new ATOM 0 H2' G A 15 10.020 -8.776 -1.679 1.00 0.00 H new ATOM 0 HO2' G A 15 10.491 -11.298 -1.617 1.00 0.00 H new ATOM 0 H1' G A 15 7.676 -9.705 -0.773 1.00 0.00 H new ATOM 0 H8 G A 15 8.341 -7.729 2.222 1.00 0.00 H new ATOM 0 H1 G A 15 6.516 -4.011 -2.687 1.00 0.00 H new ATOM 0 H21 G A 15 7.051 -6.685 -4.798 1.00 0.00 H new ATOM 0 H22 G A 15 6.566 -5.001 -4.575 1.00 0.00 H new ATOM 390 P C A 16 13.404 -9.687 -0.556 1.00 0.00 P ATOM 391 OP1 C A 16 14.423 -10.745 -0.748 1.00 0.00 O ATOM 392 OP2 C A 16 13.699 -8.661 0.473 1.00 0.00 O ATOM 393 O5' C A 16 13.133 -8.951 -1.933 1.00 0.00 O ATOM 394 C5' C A 16 12.910 -9.659 -3.148 1.00 0.00 C ATOM 395 C4' C A 16 12.341 -8.747 -4.262 1.00 0.00 C ATOM 396 O4' C A 16 10.999 -8.241 -3.927 1.00 0.00 O ATOM 397 C3' C A 16 13.160 -7.480 -4.533 1.00 0.00 C ATOM 398 O3' C A 16 14.297 -7.736 -5.358 1.00 0.00 O ATOM 399 C2' C A 16 12.122 -6.552 -5.158 1.00 0.00 C ATOM 400 O2' C A 16 11.876 -6.787 -6.545 1.00 0.00 O ATOM 401 C1' C A 16 10.884 -6.847 -4.289 1.00 0.00 C ATOM 402 N1 C A 16 10.677 -5.945 -3.080 1.00 0.00 N ATOM 403 C2 C A 16 10.209 -4.593 -3.302 1.00 0.00 C ATOM 404 O2 C A 16 9.973 -4.144 -4.440 1.00 0.00 O ATOM 405 N3 C A 16 10.022 -3.778 -2.205 1.00 0.00 N ATOM 406 C4 C A 16 10.263 -4.202 -0.938 1.00 0.00 C ATOM 407 N4 C A 16 10.075 -3.390 0.142 1.00 0.00 N ATOM 408 C5 C A 16 10.728 -5.545 -0.709 1.00 0.00 C ATOM 409 C6 C A 16 10.914 -6.350 -1.767 1.00 0.00 C ATOM 0 H5' C A 16 12.218 -10.481 -2.965 1.00 0.00 H new ATOM 0 H5'' C A 16 13.847 -10.101 -3.486 1.00 0.00 H new ATOM 0 H4' C A 16 12.352 -9.403 -5.132 1.00 0.00 H new ATOM 0 H3' C A 16 13.618 -7.044 -3.645 1.00 0.00 H new ATOM 0 H2' C A 16 12.441 -5.510 -5.160 1.00 0.00 H new ATOM 0 HO2' C A 16 12.623 -7.293 -6.929 1.00 0.00 H new ATOM 0 H1' C A 16 9.986 -6.629 -4.867 1.00 0.00 H new ATOM 0 H41 C A 16 10.265 -3.739 1.081 1.00 0.00 H new ATOM 0 H42 C A 16 9.744 -2.434 0.010 1.00 0.00 H new ATOM 0 H5 C A 16 10.923 -5.898 0.293 1.00 0.00 H new ATOM 0 H6 C A 16 11.263 -7.357 -1.593 1.00 0.00 H new ATOM 421 P G A 17 15.653 -6.908 -5.228 1.00 0.00 P ATOM 422 OP1 G A 17 16.707 -7.617 -5.993 1.00 0.00 O ATOM 423 OP2 G A 17 15.946 -6.642 -3.800 1.00 0.00 O ATOM 424 O5' G A 17 15.315 -5.520 -5.936 1.00 0.00 O ATOM 425 C5' G A 17 15.104 -5.472 -7.348 1.00 0.00 C ATOM 426 C4' G A 17 14.471 -4.144 -7.817 1.00 0.00 C ATOM 427 O4' G A 17 13.229 -3.853 -7.091 1.00 0.00 O ATOM 428 C3' G A 17 15.336 -2.894 -7.604 1.00 0.00 C ATOM 429 O3' G A 17 16.311 -2.738 -8.638 1.00 0.00 O ATOM 430 C2' G A 17 14.294 -1.776 -7.584 1.00 0.00 C ATOM 431 O2' G A 17 13.881 -1.341 -8.881 1.00 0.00 O ATOM 432 C1' G A 17 13.134 -2.441 -6.827 1.00 0.00 C ATOM 433 N9 G A 17 12.964 -2.137 -5.367 1.00 0.00 N ATOM 434 C8 G A 17 13.035 -2.965 -4.283 1.00 0.00 C ATOM 435 N7 G A 17 12.803 -2.393 -3.131 1.00 0.00 N ATOM 436 C5 G A 17 12.556 -1.090 -3.441 1.00 0.00 C ATOM 437 C6 G A 17 12.248 -0.039 -2.572 1.00 0.00 C ATOM 438 O6 G A 17 12.142 -0.135 -1.345 1.00 0.00 O ATOM 439 N1 G A 17 12.059 1.179 -3.279 1.00 0.00 N ATOM 440 C2 G A 17 12.159 1.354 -4.674 1.00 0.00 C ATOM 441 N2 G A 17 11.926 2.636 -5.072 1.00 0.00 N ATOM 442 N3 G A 17 12.460 0.303 -5.480 1.00 0.00 N ATOM 443 C4 G A 17 12.646 -0.875 -4.821 1.00 0.00 C ATOM 0 H5' G A 17 14.459 -6.300 -7.642 1.00 0.00 H new ATOM 0 H5'' G A 17 16.057 -5.614 -7.858 1.00 0.00 H new ATOM 0 H4' G A 17 14.326 -4.318 -8.883 1.00 0.00 H new ATOM 0 H3' G A 17 15.938 -2.922 -6.696 1.00 0.00 H new ATOM 0 H2' G A 17 14.679 -0.863 -7.129 1.00 0.00 H new ATOM 0 HO2' G A 17 14.611 -1.480 -9.520 1.00 0.00 H new ATOM 0 H1' G A 17 12.217 -1.994 -7.211 1.00 0.00 H new ATOM 0 H8 G A 17 13.266 -4.016 -4.371 1.00 0.00 H new ATOM 0 H1 G A 17 11.829 2.004 -2.725 1.00 0.00 H new ATOM 0 H21 G A 17 11.972 2.879 -6.062 1.00 0.00 H new ATOM 0 H22 G A 17 11.706 3.353 -4.380 1.00 0.00 H new ATOM 455 P C A 18 17.758 -2.141 -8.355 1.00 0.00 P ATOM 456 OP1 C A 18 18.544 -2.203 -9.611 1.00 0.00 O ATOM 457 OP2 C A 18 18.346 -2.816 -7.174 1.00 0.00 O ATOM 458 O5' C A 18 17.469 -0.626 -7.972 1.00 0.00 O ATOM 459 C5' C A 18 17.088 0.345 -8.945 1.00 0.00 C ATOM 460 C4' C A 18 16.746 1.719 -8.313 1.00 0.00 C ATOM 461 O4' C A 18 15.569 1.634 -7.446 1.00 0.00 O ATOM 462 C3' C A 18 17.841 2.306 -7.428 1.00 0.00 C ATOM 463 O3' C A 18 18.817 3.030 -8.174 1.00 0.00 O ATOM 464 C2' C A 18 17.101 3.142 -6.383 1.00 0.00 C ATOM 465 O2' C A 18 16.905 4.508 -6.750 1.00 0.00 O ATOM 466 C1' C A 18 15.749 2.421 -6.246 1.00 0.00 C ATOM 467 N1 C A 18 15.630 1.627 -4.984 1.00 0.00 N ATOM 468 C2 C A 18 15.368 2.292 -3.720 1.00 0.00 C ATOM 469 O2 C A 18 15.231 3.528 -3.626 1.00 0.00 O ATOM 470 N3 C A 18 15.270 1.511 -2.585 1.00 0.00 N ATOM 471 C4 C A 18 15.410 0.158 -2.642 1.00 0.00 C ATOM 472 N4 C A 18 15.317 -0.632 -1.534 1.00 0.00 N ATOM 473 C5 C A 18 15.667 -0.477 -3.909 1.00 0.00 C ATOM 474 C6 C A 18 15.765 0.269 -5.002 1.00 0.00 C ATOM 0 H5' C A 18 16.224 -0.021 -9.499 1.00 0.00 H new ATOM 0 H5'' C A 18 17.898 0.471 -9.664 1.00 0.00 H new ATOM 0 H4' C A 18 16.593 2.356 -9.184 1.00 0.00 H new ATOM 0 H3' C A 18 18.438 1.533 -6.943 1.00 0.00 H new ATOM 0 H2' C A 18 17.678 3.206 -5.460 1.00 0.00 H new ATOM 0 HO2' C A 18 17.495 4.733 -7.499 1.00 0.00 H new ATOM 0 HO3' C A 18 19.496 3.388 -7.564 1.00 0.00 H new ATOM 0 H1' C A 18 14.941 3.147 -6.156 1.00 0.00 H new ATOM 0 H41 C A 18 15.428 -1.643 -1.617 1.00 0.00 H new ATOM 0 H42 C A 18 15.137 -0.212 -0.622 1.00 0.00 H new ATOM 0 H5 C A 18 15.779 -1.550 -3.969 1.00 0.00 H new ATOM 0 H6 C A 18 15.960 -0.219 -5.946 1.00 0.00 H new TER 487 C A 18 ATOM 488 N ASN B 1 10.507 2.116 5.580 1.00 0.00 N ATOM 489 CA ASN B 1 9.765 1.699 4.354 1.00 0.00 C ATOM 490 C ASN B 1 8.451 2.450 4.228 1.00 0.00 C ATOM 491 O ASN B 1 7.735 2.640 5.218 1.00 0.00 O ATOM 492 CB ASN B 1 9.564 0.146 4.343 1.00 0.00 C ATOM 493 CG ASN B 1 9.491 -0.449 2.922 1.00 0.00 C ATOM 494 OD1 ASN B 1 10.475 -1.038 2.454 1.00 0.00 O ATOM 495 ND2 ASN B 1 8.322 -0.304 2.229 1.00 0.00 N ATOM 0 H1 ASN B 1 11.522 1.928 5.452 1.00 0.00 H new ATOM 0 H2 ASN B 1 10.361 3.132 5.745 1.00 0.00 H new ATOM 0 H3 ASN B 1 10.156 1.579 6.398 1.00 0.00 H new ATOM 0 HA ASN B 1 10.359 1.960 3.478 1.00 0.00 H new ATOM 0 HB2 ASN B 1 10.385 -0.324 4.884 1.00 0.00 H new ATOM 0 HB3 ASN B 1 8.647 -0.099 4.880 1.00 0.00 H new ATOM 0 HD21 ASN B 1 8.236 -0.688 1.288 1.00 0.00 H new ATOM 0 HD22 ASN B 1 7.536 0.189 2.653 1.00 0.00 H new ATOM 503 N ALA B 2 8.123 2.894 2.977 1.00 0.00 N ATOM 504 CA ALA B 2 6.921 3.631 2.636 1.00 0.00 C ATOM 505 C ALA B 2 5.787 2.647 2.371 1.00 0.00 C ATOM 506 O ALA B 2 5.536 2.218 1.239 1.00 0.00 O ATOM 507 CB ALA B 2 7.126 4.629 1.481 1.00 0.00 C ATOM 0 H ALA B 2 8.725 2.730 2.170 1.00 0.00 H new ATOM 0 HA ALA B 2 6.652 4.256 3.487 1.00 0.00 H new ATOM 0 HB1 ALA B 2 6.189 5.147 1.277 1.00 0.00 H new ATOM 0 HB2 ALA B 2 7.889 5.356 1.759 1.00 0.00 H new ATOM 0 HB3 ALA B 2 7.446 4.092 0.588 1.00 0.00 H new ATOM 513 N LYS B 3 5.096 2.273 3.485 1.00 0.00 N ATOM 514 CA LYS B 3 3.957 1.375 3.567 1.00 0.00 C ATOM 515 C LYS B 3 2.694 2.235 3.561 1.00 0.00 C ATOM 516 O LYS B 3 1.883 2.124 2.641 1.00 0.00 O ATOM 517 CB LYS B 3 3.959 0.425 4.819 1.00 0.00 C ATOM 518 CG LYS B 3 5.133 -0.578 4.959 1.00 0.00 C ATOM 519 CD LYS B 3 5.181 -1.733 3.929 1.00 0.00 C ATOM 520 CE LYS B 3 6.336 -2.723 4.171 1.00 0.00 C ATOM 521 NZ LYS B 3 6.383 -3.778 3.133 1.00 0.00 N ATOM 0 H LYS B 3 5.357 2.629 4.404 1.00 0.00 H new ATOM 0 HA LYS B 3 4.005 0.704 2.710 1.00 0.00 H new ATOM 0 HB2 LYS B 3 3.941 1.048 5.713 1.00 0.00 H new ATOM 0 HB3 LYS B 3 3.030 -0.145 4.809 1.00 0.00 H new ATOM 0 HG2 LYS B 3 6.068 -0.021 4.891 1.00 0.00 H new ATOM 0 HG3 LYS B 3 5.093 -1.013 5.958 1.00 0.00 H new ATOM 0 HD2 LYS B 3 4.236 -2.275 3.958 1.00 0.00 H new ATOM 0 HD3 LYS B 3 5.277 -1.313 2.928 1.00 0.00 H new ATOM 0 HE2 LYS B 3 7.282 -2.182 4.182 1.00 0.00 H new ATOM 0 HE3 LYS B 3 6.220 -3.183 5.152 1.00 0.00 H new ATOM 0 HZ1 LYS B 3 7.348 -4.162 3.072 1.00 0.00 H new ATOM 0 HZ2 LYS B 3 5.722 -4.541 3.383 1.00 0.00 H new ATOM 0 HZ3 LYS B 3 6.113 -3.373 2.214 1.00 0.00 H new ATOM 535 N THR B 4 2.526 3.124 4.594 1.00 0.00 N ATOM 536 CA THR B 4 1.407 4.038 4.828 1.00 0.00 C ATOM 537 C THR B 4 1.246 5.103 3.758 1.00 0.00 C ATOM 538 O THR B 4 0.115 5.357 3.349 1.00 0.00 O ATOM 539 CB THR B 4 1.356 4.700 6.223 1.00 0.00 C ATOM 540 OG1 THR B 4 2.622 5.221 6.626 1.00 0.00 O ATOM 541 CG2 THR B 4 0.809 3.699 7.276 1.00 0.00 C ATOM 0 H THR B 4 3.232 3.209 5.325 1.00 0.00 H new ATOM 0 HA THR B 4 0.560 3.354 4.776 1.00 0.00 H new ATOM 0 HB THR B 4 0.676 5.549 6.154 1.00 0.00 H new ATOM 0 HG1 THR B 4 2.540 5.631 7.512 1.00 0.00 H new ATOM 0 HG21 THR B 4 0.779 4.180 8.254 1.00 0.00 H new ATOM 0 HG22 THR B 4 -0.197 3.387 6.994 1.00 0.00 H new ATOM 0 HG23 THR B 4 1.460 2.826 7.321 1.00 0.00 H new ATOM 549 N ARG B 5 2.353 5.733 3.279 1.00 0.00 N ATOM 550 CA ARG B 5 2.397 6.767 2.251 1.00 0.00 C ATOM 551 C ARG B 5 1.703 6.286 0.972 1.00 0.00 C ATOM 552 O ARG B 5 0.772 6.957 0.516 1.00 0.00 O ATOM 553 CB ARG B 5 3.856 7.274 2.024 1.00 0.00 C ATOM 554 CG ARG B 5 4.435 8.228 3.109 1.00 0.00 C ATOM 555 CD ARG B 5 4.509 7.664 4.547 1.00 0.00 C ATOM 556 NE ARG B 5 5.269 8.620 5.427 1.00 0.00 N ATOM 557 CZ ARG B 5 5.698 8.349 6.702 1.00 0.00 C ATOM 558 NH1 ARG B 5 5.279 7.260 7.416 1.00 0.00 N ATOM 559 NH2 ARG B 5 6.584 9.213 7.285 1.00 0.00 N ATOM 0 H ARG B 5 3.283 5.508 3.631 1.00 0.00 H new ATOM 0 HA ARG B 5 1.835 7.636 2.594 1.00 0.00 H new ATOM 0 HB2 ARG B 5 4.511 6.406 1.948 1.00 0.00 H new ATOM 0 HB3 ARG B 5 3.894 7.787 1.063 1.00 0.00 H new ATOM 0 HG2 ARG B 5 5.439 8.523 2.805 1.00 0.00 H new ATOM 0 HG3 ARG B 5 3.829 9.134 3.127 1.00 0.00 H new ATOM 0 HD2 ARG B 5 3.504 7.512 4.941 1.00 0.00 H new ATOM 0 HD3 ARG B 5 5.000 6.691 4.542 1.00 0.00 H new ATOM 0 HE ARG B 5 5.482 9.542 5.046 1.00 0.00 H new ATOM 0 HH11 ARG B 5 4.617 6.603 7.003 1.00 0.00 H new ATOM 0 HH12 ARG B 5 5.629 7.104 8.361 1.00 0.00 H new ATOM 0 HH21 ARG B 5 6.908 10.033 6.773 1.00 0.00 H new ATOM 0 HH22 ARG B 5 6.920 9.037 8.232 1.00 0.00 H new ATOM 573 N ARG B 6 2.087 5.087 0.419 1.00 0.00 N ATOM 574 CA ARG B 6 1.464 4.436 -0.730 1.00 0.00 C ATOM 575 C ARG B 6 0.009 4.075 -0.377 1.00 0.00 C ATOM 576 O ARG B 6 -0.897 4.465 -1.121 1.00 0.00 O ATOM 577 CB ARG B 6 2.272 3.197 -1.246 1.00 0.00 C ATOM 578 CG ARG B 6 1.568 2.325 -2.323 1.00 0.00 C ATOM 579 CD ARG B 6 2.418 1.178 -2.890 1.00 0.00 C ATOM 580 NE ARG B 6 1.530 0.054 -3.362 1.00 0.00 N ATOM 581 CZ ARG B 6 0.962 -0.086 -4.602 1.00 0.00 C ATOM 582 NH1 ARG B 6 0.870 0.952 -5.486 1.00 0.00 N ATOM 583 NH2 ARG B 6 0.447 -1.306 -4.949 1.00 0.00 N ATOM 0 H ARG B 6 2.869 4.549 0.793 1.00 0.00 H new ATOM 0 HA ARG B 6 1.467 5.139 -1.563 1.00 0.00 H new ATOM 0 HB2 ARG B 6 3.219 3.550 -1.655 1.00 0.00 H new ATOM 0 HB3 ARG B 6 2.510 2.563 -0.392 1.00 0.00 H new ATOM 0 HG2 ARG B 6 0.660 1.904 -1.891 1.00 0.00 H new ATOM 0 HG3 ARG B 6 1.260 2.970 -3.146 1.00 0.00 H new ATOM 0 HD2 ARG B 6 3.027 1.542 -3.718 1.00 0.00 H new ATOM 0 HD3 ARG B 6 3.104 0.812 -2.126 1.00 0.00 H new ATOM 0 HE ARG B 6 1.330 -0.682 -2.685 1.00 0.00 H new ATOM 0 HH11 ARG B 6 1.231 1.872 -5.232 1.00 0.00 H new ATOM 0 HH12 ARG B 6 0.440 0.807 -6.400 1.00 0.00 H new ATOM 0 HH21 ARG B 6 0.491 -2.084 -4.291 1.00 0.00 H new ATOM 0 HH22 ARG B 6 0.019 -1.437 -5.866 1.00 0.00 H new ATOM 597 N HIS B 7 -0.227 3.334 0.763 1.00 0.00 N ATOM 598 CA HIS B 7 -1.505 2.893 1.303 1.00 0.00 C ATOM 599 C HIS B 7 -2.565 3.986 1.261 1.00 0.00 C ATOM 600 O HIS B 7 -3.587 3.749 0.641 1.00 0.00 O ATOM 601 CB HIS B 7 -1.399 2.294 2.739 1.00 0.00 C ATOM 602 CG HIS B 7 -2.707 1.858 3.356 1.00 0.00 C ATOM 603 ND1 HIS B 7 -3.072 0.552 3.517 1.00 0.00 N ATOM 604 CD2 HIS B 7 -3.724 2.611 3.838 1.00 0.00 C ATOM 605 CE1 HIS B 7 -4.274 0.518 4.075 1.00 0.00 C ATOM 606 NE2 HIS B 7 -4.686 1.754 4.291 1.00 0.00 N ATOM 0 H HIS B 7 0.548 3.023 1.348 1.00 0.00 H new ATOM 0 HA HIS B 7 -1.822 2.087 0.641 1.00 0.00 H new ATOM 0 HB2 HIS B 7 -0.727 1.436 2.708 1.00 0.00 H new ATOM 0 HB3 HIS B 7 -0.938 3.036 3.391 1.00 0.00 H new ATOM 0 HD1 HIS B 7 -2.514 -0.260 3.253 1.00 0.00 H new ATOM 0 HD2 HIS B 7 -3.767 3.690 3.860 1.00 0.00 H new ATOM 0 HE1 HIS B 7 -4.828 -0.378 4.315 1.00 0.00 H new ATOM 615 N GLU B 8 -2.353 5.185 1.886 1.00 0.00 N ATOM 616 CA GLU B 8 -3.232 6.355 1.956 1.00 0.00 C ATOM 617 C GLU B 8 -4.027 6.618 0.668 1.00 0.00 C ATOM 618 O GLU B 8 -5.259 6.559 0.711 1.00 0.00 O ATOM 619 CB GLU B 8 -2.457 7.638 2.418 1.00 0.00 C ATOM 620 CG GLU B 8 -2.171 7.717 3.941 1.00 0.00 C ATOM 621 CD GLU B 8 -1.230 8.883 4.262 1.00 0.00 C ATOM 622 OE1 GLU B 8 -1.669 10.059 4.155 1.00 0.00 O ATOM 623 OE2 GLU B 8 -0.056 8.605 4.632 1.00 0.00 O ATOM 0 H GLU B 8 -1.483 5.353 2.391 1.00 0.00 H new ATOM 0 HA GLU B 8 -3.973 6.110 2.717 1.00 0.00 H new ATOM 0 HB2 GLU B 8 -1.509 7.684 1.882 1.00 0.00 H new ATOM 0 HB3 GLU B 8 -3.032 8.517 2.125 1.00 0.00 H new ATOM 0 HG2 GLU B 8 -3.108 7.840 4.485 1.00 0.00 H new ATOM 0 HG3 GLU B 8 -1.726 6.782 4.280 1.00 0.00 H new ATOM 630 N ARG B 9 -3.354 6.880 -0.500 1.00 0.00 N ATOM 631 CA ARG B 9 -3.981 7.125 -1.804 1.00 0.00 C ATOM 632 C ARG B 9 -4.735 5.890 -2.311 1.00 0.00 C ATOM 633 O ARG B 9 -5.924 5.992 -2.619 1.00 0.00 O ATOM 634 CB ARG B 9 -3.016 7.619 -2.935 1.00 0.00 C ATOM 635 CG ARG B 9 -2.271 8.964 -2.712 1.00 0.00 C ATOM 636 CD ARG B 9 -1.006 8.935 -1.824 1.00 0.00 C ATOM 637 NE ARG B 9 0.066 8.086 -2.479 1.00 0.00 N ATOM 638 CZ ARG B 9 1.422 8.261 -2.354 1.00 0.00 C ATOM 639 NH1 ARG B 9 1.974 9.266 -1.615 1.00 0.00 N ATOM 640 NH2 ARG B 9 2.255 7.382 -2.992 1.00 0.00 N ATOM 0 H ARG B 9 -2.336 6.923 -0.540 1.00 0.00 H new ATOM 0 HA ARG B 9 -4.669 7.945 -1.599 1.00 0.00 H new ATOM 0 HB2 ARG B 9 -2.267 6.844 -3.099 1.00 0.00 H new ATOM 0 HB3 ARG B 9 -3.594 7.704 -3.855 1.00 0.00 H new ATOM 0 HG2 ARG B 9 -1.989 9.359 -3.688 1.00 0.00 H new ATOM 0 HG3 ARG B 9 -2.975 9.671 -2.273 1.00 0.00 H new ATOM 0 HD2 ARG B 9 -0.636 9.949 -1.670 1.00 0.00 H new ATOM 0 HD3 ARG B 9 -1.250 8.533 -0.841 1.00 0.00 H new ATOM 0 HE ARG B 9 -0.249 7.314 -3.066 1.00 0.00 H new ATOM 0 HH11 ARG B 9 1.373 9.928 -1.125 1.00 0.00 H new ATOM 0 HH12 ARG B 9 2.988 9.355 -1.552 1.00 0.00 H new ATOM 0 HH21 ARG B 9 1.864 6.619 -3.545 1.00 0.00 H new ATOM 0 HH22 ARG B 9 3.266 7.490 -2.915 1.00 0.00 H new ATOM 654 N ARG B 10 -4.064 4.698 -2.385 1.00 0.00 N ATOM 655 CA ARG B 10 -4.579 3.399 -2.813 1.00 0.00 C ATOM 656 C ARG B 10 -5.860 3.011 -2.056 1.00 0.00 C ATOM 657 O ARG B 10 -6.834 2.624 -2.696 1.00 0.00 O ATOM 658 CB ARG B 10 -3.437 2.339 -2.659 1.00 0.00 C ATOM 659 CG ARG B 10 -3.695 0.873 -3.089 1.00 0.00 C ATOM 660 CD ARG B 10 -2.405 0.016 -3.010 1.00 0.00 C ATOM 661 NE ARG B 10 -2.624 -1.445 -3.338 1.00 0.00 N ATOM 662 CZ ARG B 10 -2.812 -1.982 -4.587 1.00 0.00 C ATOM 663 NH1 ARG B 10 -3.168 -1.246 -5.679 1.00 0.00 N ATOM 664 NH2 ARG B 10 -2.604 -3.325 -4.735 1.00 0.00 N ATOM 0 H ARG B 10 -3.080 4.639 -2.124 1.00 0.00 H new ATOM 0 HA ARG B 10 -4.874 3.447 -3.861 1.00 0.00 H new ATOM 0 HB2 ARG B 10 -2.578 2.699 -3.225 1.00 0.00 H new ATOM 0 HB3 ARG B 10 -3.144 2.325 -1.609 1.00 0.00 H new ATOM 0 HG2 ARG B 10 -4.462 0.436 -2.449 1.00 0.00 H new ATOM 0 HG3 ARG B 10 -4.082 0.855 -4.108 1.00 0.00 H new ATOM 0 HD2 ARG B 10 -1.664 0.426 -3.696 1.00 0.00 H new ATOM 0 HD3 ARG B 10 -1.988 0.095 -2.006 1.00 0.00 H new ATOM 0 HE ARG B 10 -2.633 -2.096 -2.552 1.00 0.00 H new ATOM 0 HH11 ARG B 10 -3.309 -0.240 -5.592 1.00 0.00 H new ATOM 0 HH12 ARG B 10 -3.293 -1.702 -6.583 1.00 0.00 H new ATOM 0 HH21 ARG B 10 -2.320 -3.888 -3.934 1.00 0.00 H new ATOM 0 HH22 ARG B 10 -2.733 -3.764 -5.647 1.00 0.00 H new ATOM 678 N ARG B 11 -5.887 3.153 -0.693 1.00 0.00 N ATOM 679 CA ARG B 11 -6.951 2.943 0.274 1.00 0.00 C ATOM 680 C ARG B 11 -8.200 3.656 -0.195 1.00 0.00 C ATOM 681 O ARG B 11 -9.188 2.968 -0.427 1.00 0.00 O ATOM 682 CB ARG B 11 -6.514 3.368 1.700 1.00 0.00 C ATOM 683 CG ARG B 11 -7.509 3.080 2.839 1.00 0.00 C ATOM 684 CD ARG B 11 -7.418 4.085 3.989 1.00 0.00 C ATOM 685 NE ARG B 11 -8.360 3.648 5.089 1.00 0.00 N ATOM 686 CZ ARG B 11 -8.009 3.308 6.372 1.00 0.00 C ATOM 687 NH1 ARG B 11 -6.726 3.368 6.836 1.00 0.00 N ATOM 688 NH2 ARG B 11 -8.994 2.888 7.224 1.00 0.00 N ATOM 0 H ARG B 11 -5.040 3.458 -0.213 1.00 0.00 H new ATOM 0 HA ARG B 11 -7.176 1.879 0.341 1.00 0.00 H new ATOM 0 HB2 ARG B 11 -5.575 2.866 1.933 1.00 0.00 H new ATOM 0 HB3 ARG B 11 -6.309 4.438 1.689 1.00 0.00 H new ATOM 0 HG2 ARG B 11 -8.522 3.088 2.438 1.00 0.00 H new ATOM 0 HG3 ARG B 11 -7.327 2.077 3.226 1.00 0.00 H new ATOM 0 HD2 ARG B 11 -6.396 4.138 4.365 1.00 0.00 H new ATOM 0 HD3 ARG B 11 -7.681 5.084 3.640 1.00 0.00 H new ATOM 0 HE ARG B 11 -9.352 3.601 4.855 1.00 0.00 H new ATOM 0 HH11 ARG B 11 -5.975 3.677 6.219 1.00 0.00 H new ATOM 0 HH12 ARG B 11 -6.519 3.104 7.799 1.00 0.00 H new ATOM 0 HH21 ARG B 11 -9.960 2.834 6.900 1.00 0.00 H new ATOM 0 HH22 ARG B 11 -8.763 2.629 8.183 1.00 0.00 H new ATOM 702 N LYS B 12 -8.177 5.018 -0.378 1.00 0.00 N ATOM 703 CA LYS B 12 -9.270 5.862 -0.865 1.00 0.00 C ATOM 704 C LYS B 12 -10.004 5.206 -2.039 1.00 0.00 C ATOM 705 O LYS B 12 -11.212 4.982 -1.946 1.00 0.00 O ATOM 706 CB LYS B 12 -8.817 7.317 -1.229 1.00 0.00 C ATOM 707 CG LYS B 12 -8.314 8.170 -0.037 1.00 0.00 C ATOM 708 CD LYS B 12 -7.737 9.551 -0.435 1.00 0.00 C ATOM 709 CE LYS B 12 -7.135 10.382 0.720 1.00 0.00 C ATOM 710 NZ LYS B 12 -5.873 9.795 1.242 1.00 0.00 N ATOM 0 H LYS B 12 -7.340 5.564 -0.172 1.00 0.00 H new ATOM 0 HA LYS B 12 -9.966 5.957 -0.032 1.00 0.00 H new ATOM 0 HB2 LYS B 12 -8.023 7.257 -1.973 1.00 0.00 H new ATOM 0 HB3 LYS B 12 -9.654 7.834 -1.697 1.00 0.00 H new ATOM 0 HG2 LYS B 12 -9.139 8.322 0.659 1.00 0.00 H new ATOM 0 HG3 LYS B 12 -7.546 7.609 0.496 1.00 0.00 H new ATOM 0 HD2 LYS B 12 -6.965 9.398 -1.189 1.00 0.00 H new ATOM 0 HD3 LYS B 12 -8.530 10.134 -0.904 1.00 0.00 H new ATOM 0 HE2 LYS B 12 -6.944 11.397 0.372 1.00 0.00 H new ATOM 0 HE3 LYS B 12 -7.861 10.454 1.530 1.00 0.00 H new ATOM 0 HZ1 LYS B 12 -5.508 10.388 2.015 1.00 0.00 H new ATOM 0 HZ2 LYS B 12 -6.058 8.836 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS B 12 -5.169 9.750 0.478 1.00 0.00 H new ATOM 724 N LEU B 13 -9.269 4.834 -3.131 1.00 0.00 N ATOM 725 CA LEU B 13 -9.773 4.154 -4.317 1.00 0.00 C ATOM 726 C LEU B 13 -10.319 2.774 -4.033 1.00 0.00 C ATOM 727 O LEU B 13 -11.473 2.527 -4.374 1.00 0.00 O ATOM 728 CB LEU B 13 -8.818 4.134 -5.524 1.00 0.00 C ATOM 729 CG LEU B 13 -8.517 5.542 -6.126 1.00 0.00 C ATOM 730 CD1 LEU B 13 -9.711 6.556 -6.140 1.00 0.00 C ATOM 731 CD2 LEU B 13 -7.200 6.141 -5.565 1.00 0.00 C ATOM 0 H LEU B 13 -8.267 5.018 -3.189 1.00 0.00 H new ATOM 0 HA LEU B 13 -10.607 4.788 -4.617 1.00 0.00 H new ATOM 0 HB2 LEU B 13 -7.878 3.672 -5.222 1.00 0.00 H new ATOM 0 HB3 LEU B 13 -9.247 3.503 -6.302 1.00 0.00 H new ATOM 0 HG LEU B 13 -8.364 5.353 -7.189 1.00 0.00 H new ATOM 0 HD11 LEU B 13 -9.383 7.498 -6.580 1.00 0.00 H new ATOM 0 HD12 LEU B 13 -10.530 6.145 -6.730 1.00 0.00 H new ATOM 0 HD13 LEU B 13 -10.051 6.731 -5.119 1.00 0.00 H new ATOM 0 HD21 LEU B 13 -7.028 7.121 -6.010 1.00 0.00 H new ATOM 0 HD22 LEU B 13 -7.278 6.242 -4.483 1.00 0.00 H new ATOM 0 HD23 LEU B 13 -6.367 5.481 -5.808 1.00 0.00 H new ATOM 743 N ALA B 14 -9.519 1.879 -3.381 1.00 0.00 N ATOM 744 CA ALA B 14 -9.838 0.523 -2.961 1.00 0.00 C ATOM 745 C ALA B 14 -11.158 0.457 -2.237 1.00 0.00 C ATOM 746 O ALA B 14 -11.991 -0.384 -2.591 1.00 0.00 O ATOM 747 CB ALA B 14 -8.773 -0.084 -2.036 1.00 0.00 C ATOM 0 H ALA B 14 -8.564 2.129 -3.126 1.00 0.00 H new ATOM 0 HA ALA B 14 -9.881 -0.051 -3.886 1.00 0.00 H new ATOM 0 HB1 ALA B 14 -9.067 -1.096 -1.757 1.00 0.00 H new ATOM 0 HB2 ALA B 14 -7.815 -0.115 -2.555 1.00 0.00 H new ATOM 0 HB3 ALA B 14 -8.680 0.527 -1.138 1.00 0.00 H new ATOM 753 N ILE B 15 -11.385 1.380 -1.239 1.00 0.00 N ATOM 754 CA ILE B 15 -12.627 1.471 -0.512 1.00 0.00 C ATOM 755 C ILE B 15 -13.731 1.800 -1.517 1.00 0.00 C ATOM 756 O ILE B 15 -14.685 1.030 -1.630 1.00 0.00 O ATOM 757 CB ILE B 15 -12.791 2.387 0.727 1.00 0.00 C ATOM 758 CG1 ILE B 15 -11.590 2.499 1.715 1.00 0.00 C ATOM 759 CG2 ILE B 15 -14.041 1.837 1.462 1.00 0.00 C ATOM 760 CD1 ILE B 15 -11.146 3.945 1.870 1.00 0.00 C ATOM 0 H ILE B 15 -10.688 2.064 -0.945 1.00 0.00 H new ATOM 0 HA ILE B 15 -12.671 0.492 -0.035 1.00 0.00 H new ATOM 0 HB ILE B 15 -12.873 3.412 0.366 1.00 0.00 H new ATOM 0 HG12 ILE B 15 -11.875 2.096 2.687 1.00 0.00 H new ATOM 0 HG13 ILE B 15 -10.758 1.896 1.352 1.00 0.00 H new ATOM 0 HG21 ILE B 15 -14.229 2.432 2.356 1.00 0.00 H new ATOM 0 HG22 ILE B 15 -14.906 1.893 0.801 1.00 0.00 H new ATOM 0 HG23 ILE B 15 -13.868 0.799 1.747 1.00 0.00 H new ATOM 0 HD11 ILE B 15 -10.307 3.996 2.564 1.00 0.00 H new ATOM 0 HD12 ILE B 15 -10.839 4.337 0.901 1.00 0.00 H new ATOM 0 HD13 ILE B 15 -11.973 4.540 2.257 1.00 0.00 H new ATOM 772 N GLU B 16 -13.605 2.952 -2.248 1.00 0.00 N ATOM 773 CA GLU B 16 -14.558 3.443 -3.223 1.00 0.00 C ATOM 774 C GLU B 16 -14.920 2.464 -4.381 1.00 0.00 C ATOM 775 O GLU B 16 -15.896 2.711 -5.096 1.00 0.00 O ATOM 776 CB GLU B 16 -14.127 4.829 -3.835 1.00 0.00 C ATOM 777 CG GLU B 16 -14.194 6.046 -2.871 1.00 0.00 C ATOM 778 CD GLU B 16 -15.630 6.396 -2.454 1.00 0.00 C ATOM 779 OE1 GLU B 16 -16.438 6.789 -3.337 1.00 0.00 O ATOM 780 OE2 GLU B 16 -15.928 6.289 -1.234 1.00 0.00 O ATOM 0 H GLU B 16 -12.797 3.566 -2.149 1.00 0.00 H new ATOM 0 HA GLU B 16 -15.465 3.556 -2.628 1.00 0.00 H new ATOM 0 HB2 GLU B 16 -13.106 4.739 -4.205 1.00 0.00 H new ATOM 0 HB3 GLU B 16 -14.761 5.037 -4.697 1.00 0.00 H new ATOM 0 HG2 GLU B 16 -13.604 5.831 -1.980 1.00 0.00 H new ATOM 0 HG3 GLU B 16 -13.739 6.911 -3.353 1.00 0.00 H new ATOM 787 N ARG B 17 -14.187 1.315 -4.563 1.00 0.00 N ATOM 788 CA ARG B 17 -14.454 0.243 -5.526 1.00 0.00 C ATOM 789 C ARG B 17 -15.637 -0.558 -4.964 1.00 0.00 C ATOM 790 O ARG B 17 -16.667 -0.694 -5.629 1.00 0.00 O ATOM 791 CB ARG B 17 -13.247 -0.720 -5.817 1.00 0.00 C ATOM 792 CG ARG B 17 -12.015 -0.084 -6.503 1.00 0.00 C ATOM 793 CD ARG B 17 -10.767 -0.989 -6.549 1.00 0.00 C ATOM 794 NE ARG B 17 -9.564 -0.135 -6.888 1.00 0.00 N ATOM 795 CZ ARG B 17 -8.297 -0.285 -6.375 1.00 0.00 C ATOM 796 NH1 ARG B 17 -7.942 -1.319 -5.557 1.00 0.00 N ATOM 797 NH2 ARG B 17 -7.351 0.649 -6.698 1.00 0.00 N ATOM 0 H ARG B 17 -13.357 1.124 -4.002 1.00 0.00 H new ATOM 0 HA ARG B 17 -14.661 0.707 -6.490 1.00 0.00 H new ATOM 0 HB2 ARG B 17 -12.924 -1.160 -4.873 1.00 0.00 H new ATOM 0 HB3 ARG B 17 -13.604 -1.537 -6.444 1.00 0.00 H new ATOM 0 HG2 ARG B 17 -12.285 0.192 -7.522 1.00 0.00 H new ATOM 0 HG3 ARG B 17 -11.760 0.838 -5.980 1.00 0.00 H new ATOM 0 HD2 ARG B 17 -10.622 -1.483 -5.588 1.00 0.00 H new ATOM 0 HD3 ARG B 17 -10.896 -1.774 -7.294 1.00 0.00 H new ATOM 0 HE ARG B 17 -9.706 0.621 -7.558 1.00 0.00 H new ATOM 0 HH11 ARG B 17 -8.631 -2.026 -5.300 1.00 0.00 H new ATOM 0 HH12 ARG B 17 -6.988 -1.385 -5.203 1.00 0.00 H new ATOM 0 HH21 ARG B 17 -7.594 1.432 -7.305 1.00 0.00 H new ATOM 0 HH22 ARG B 17 -6.403 0.563 -6.332 1.00 0.00 H new ATOM 811 N ASP B 18 -15.489 -1.060 -3.699 1.00 0.00 N ATOM 812 CA ASP B 18 -16.427 -1.810 -2.874 1.00 0.00 C ATOM 813 C ASP B 18 -17.729 -1.041 -2.617 1.00 0.00 C ATOM 814 O ASP B 18 -18.809 -1.610 -2.797 1.00 0.00 O ATOM 815 CB ASP B 18 -15.798 -2.247 -1.506 1.00 0.00 C ATOM 816 CG ASP B 18 -14.622 -3.219 -1.688 1.00 0.00 C ATOM 817 OD1 ASP B 18 -14.858 -4.366 -2.154 1.00 0.00 O ATOM 818 OD2 ASP B 18 -13.474 -2.824 -1.350 1.00 0.00 O ATOM 0 H ASP B 18 -14.609 -0.922 -3.202 1.00 0.00 H new ATOM 0 HA ASP B 18 -16.665 -2.705 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP B 18 -15.456 -1.363 -0.967 1.00 0.00 H new ATOM 0 HB3 ASP B 18 -16.564 -2.719 -0.891 1.00 0.00 H new ATOM 823 N THR B 19 -17.628 0.260 -2.197 1.00 0.00 N ATOM 824 CA THR B 19 -18.681 1.231 -1.878 1.00 0.00 C ATOM 825 C THR B 19 -19.880 1.148 -2.863 1.00 0.00 C ATOM 826 O THR B 19 -19.678 1.303 -4.098 1.00 0.00 O ATOM 827 CB THR B 19 -18.199 2.696 -1.778 1.00 0.00 C ATOM 828 OG1 THR B 19 -17.670 3.172 -3.000 1.00 0.00 O ATOM 829 CG2 THR B 19 -17.252 2.939 -0.580 1.00 0.00 C ATOM 830 OXT THR B 19 -21.016 0.916 -2.368 1.00 0.00 O ATOM 0 H THR B 19 -16.707 0.678 -2.066 1.00 0.00 H new ATOM 0 HA THR B 19 -19.008 0.936 -0.881 1.00 0.00 H new ATOM 0 HB THR B 19 -19.087 3.294 -1.575 1.00 0.00 H new ATOM 0 HG1 THR B 19 -18.162 2.772 -3.747 1.00 0.00 H new ATOM 0 HG21 THR B 19 -16.948 3.986 -0.563 1.00 0.00 H new ATOM 0 HG22 THR B 19 -17.770 2.697 0.348 1.00 0.00 H new ATOM 0 HG23 THR B 19 -16.370 2.306 -0.679 1.00 0.00 H new TER 838 THR B 19