USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 399 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 Single : A 1 G O2' : rot -12:sc= -1.06 USER MOD Single : A 2 C O2' : rot -13:sc= 0.144 USER MOD Single : A 3 C O2' : rot 180:sc= -2.11! USER MOD Single : A 4 C O2' : rot 180:sc= -3.67! USER MOD Single : A 5 U O2' : rot -4:sc= -3.71! USER MOD Single : A 6 G O2' : rot 178:sc= 0.444 USER MOD Single : A 7 A O2' : rot 180:sc= -1.21 USER MOD Single : A 8 A O2' : rot 53:sc= -1.93! USER MOD Single : A 9 A O2' : rot -16:sc= 0.145 USER MOD Single : A 10 A O2' : rot -16:sc= 0.135 USER MOD Single : A 11 A O2' : rot -84:sc= -0.388! USER MOD Single : A 12 G O2' : rot -21:sc= 0.148 USER MOD Single : A 13 G O2' : rot -119:sc= 1.06 USER MOD Single : A 14 G O2' : rot 180:sc= -2.07! USER MOD Single : A 15 C O2' : rot -15:sc= 0.189 USER MOD Single : A 15 C O3' : rot 180:sc= 0.172 USER MOD Single : B 23 THR OG1 : rot 62:sc= 0.42 USER MOD Single : B 24 SER OG : rot 169:sc= -1.69! USER MOD Single : B 35 LYS NZ :NH3+ -135:sc= 0 (180deg=-0.0627) USER MOD Single : B 39 TYR OH : rot 97:sc= 0.644 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -0.792 X(o=-0.79,f=-0.59) USER MOD ----------------------------------------------------------------- ATOM 1 P G A 1 14.668 -18.262 1.923 1.00 1.31 P ATOM 2 OP1 G A 1 14.537 -19.083 3.153 1.00 1.51 O ATOM 3 OP2 G A 1 15.457 -18.779 0.777 1.00 1.52 O ATOM 4 O5' G A 1 13.204 -17.909 1.405 1.00 1.09 O ATOM 5 C5' G A 1 12.347 -17.026 2.154 1.00 1.03 C ATOM 6 C4' G A 1 11.232 -17.809 2.805 1.00 0.94 C ATOM 7 O4' G A 1 11.501 -17.893 4.225 1.00 1.02 O ATOM 8 C3' G A 1 9.865 -17.150 2.725 1.00 0.80 C ATOM 9 O3' G A 1 9.205 -17.505 1.514 1.00 0.75 O ATOM 10 C2' G A 1 9.140 -17.727 3.935 1.00 0.78 C ATOM 11 O2' G A 1 8.535 -18.979 3.667 1.00 0.77 O ATOM 12 C1' G A 1 10.279 -17.898 4.939 1.00 0.90 C ATOM 13 N9 G A 1 10.302 -16.795 5.889 1.00 0.90 N ATOM 14 C8 G A 1 11.138 -15.707 5.878 1.00 0.97 C ATOM 15 N7 G A 1 10.895 -14.867 6.846 1.00 0.99 N ATOM 16 C5 G A 1 9.836 -15.439 7.537 1.00 0.90 C ATOM 17 C6 G A 1 9.138 -14.987 8.680 1.00 0.88 C ATOM 18 O6 G A 1 9.324 -13.957 9.330 1.00 0.94 O ATOM 19 N1 G A 1 8.130 -15.872 9.054 1.00 0.82 N ATOM 20 C2 G A 1 7.837 -17.046 8.401 1.00 0.81 C ATOM 21 N2 G A 1 6.829 -17.773 8.908 1.00 0.83 N ATOM 22 N3 G A 1 8.482 -17.478 7.333 1.00 0.83 N ATOM 23 C4 G A 1 9.462 -16.630 6.959 1.00 0.86 C ATOM 0 H5' G A 1 11.930 -16.266 1.494 1.00 1.03 H new ATOM 0 H5'' G A 1 12.927 -16.504 2.915 1.00 1.03 H new ATOM 0 H4' G A 1 11.206 -18.761 2.276 1.00 0.94 H new ATOM 0 H3' G A 1 9.906 -16.061 2.729 1.00 0.80 H new ATOM 0 H2' G A 1 8.322 -17.090 4.271 1.00 0.78 H new ATOM 0 HO2' G A 1 8.544 -19.147 2.701 1.00 0.77 H new ATOM 0 H1' G A 1 10.136 -18.831 5.483 1.00 0.90 H new ATOM 0 H8 G A 1 11.917 -15.561 5.144 1.00 0.97 H new ATOM 0 H1 G A 1 7.569 -15.632 9.871 1.00 0.82 H new ATOM 0 H21 G A 1 6.564 -18.654 8.468 1.00 0.83 H new ATOM 0 H22 G A 1 6.328 -17.444 9.734 1.00 0.83 H new ATOM 35 P C A 2 7.801 -16.817 1.142 1.00 0.69 P ATOM 36 OP1 C A 2 7.197 -17.569 0.013 1.00 0.84 O ATOM 37 OP2 C A 2 8.044 -15.358 1.006 1.00 0.82 O ATOM 38 O5' C A 2 6.904 -17.051 2.438 1.00 0.58 O ATOM 39 C5' C A 2 5.965 -18.141 2.501 1.00 0.57 C ATOM 40 C4' C A 2 4.737 -17.725 3.277 1.00 0.55 C ATOM 41 O4' C A 2 5.130 -17.435 4.641 1.00 0.54 O ATOM 42 C3' C A 2 4.097 -16.431 2.803 1.00 0.51 C ATOM 43 O3' C A 2 3.175 -16.694 1.746 1.00 0.59 O ATOM 44 C2' C A 2 3.370 -15.939 4.050 1.00 0.53 C ATOM 45 O2' C A 2 2.070 -16.483 4.176 1.00 0.67 O ATOM 46 C1' C A 2 4.267 -16.452 5.181 1.00 0.51 C ATOM 47 N1 C A 2 5.095 -15.398 5.785 1.00 0.45 N ATOM 48 C2 C A 2 4.669 -14.827 6.984 1.00 0.44 C ATOM 49 O2 C A 2 3.610 -15.227 7.491 1.00 0.49 O ATOM 50 N3 C A 2 5.415 -13.858 7.559 1.00 0.43 N ATOM 51 C4 C A 2 6.547 -13.458 6.978 1.00 0.45 C ATOM 52 N4 C A 2 7.253 -12.499 7.582 1.00 0.49 N ATOM 53 C5 C A 2 7.007 -14.024 5.753 1.00 0.47 C ATOM 54 C6 C A 2 6.257 -14.984 5.195 1.00 0.46 C ATOM 0 H5' C A 2 6.430 -19.005 2.977 1.00 0.57 H new ATOM 0 H5'' C A 2 5.682 -18.446 1.494 1.00 0.57 H new ATOM 0 H4' C A 2 4.034 -18.549 3.154 1.00 0.55 H new ATOM 0 H3' C A 2 4.809 -15.707 2.408 1.00 0.51 H new ATOM 0 H2' C A 2 3.221 -14.859 4.040 1.00 0.53 H new ATOM 0 HO2' C A 2 1.813 -16.914 3.334 1.00 0.67 H new ATOM 0 H1' C A 2 3.619 -16.846 5.963 1.00 0.51 H new ATOM 0 H41 C A 2 8.124 -12.168 7.166 1.00 0.49 H new ATOM 0 H42 C A 2 6.921 -12.097 8.459 1.00 0.49 H new ATOM 0 H5 C A 2 7.925 -13.692 5.292 1.00 0.47 H new ATOM 0 H6 C A 2 6.574 -15.437 4.267 1.00 0.46 H new ATOM 66 P C A 3 2.413 -15.475 1.026 1.00 0.67 P ATOM 67 OP1 C A 3 1.050 -15.948 0.678 1.00 1.00 O ATOM 68 OP2 C A 3 3.298 -14.939 -0.039 1.00 1.20 O ATOM 69 O5' C A 3 2.276 -14.370 2.165 1.00 0.89 O ATOM 70 C5' C A 3 1.088 -13.561 2.278 1.00 0.68 C ATOM 71 C4' C A 3 0.579 -13.584 3.696 1.00 0.61 C ATOM 72 O4' C A 3 1.718 -13.737 4.573 1.00 0.67 O ATOM 73 C3' C A 3 -0.089 -12.299 4.150 1.00 0.56 C ATOM 74 O3' C A 3 -1.485 -12.304 3.848 1.00 0.57 O ATOM 75 C2' C A 3 0.161 -12.294 5.652 1.00 0.57 C ATOM 76 O2' C A 3 -0.816 -13.018 6.375 1.00 0.64 O ATOM 77 C1' C A 3 1.512 -13.003 5.763 1.00 0.62 C ATOM 78 N1 C A 3 2.621 -12.049 5.884 1.00 0.61 N ATOM 79 C2 C A 3 2.676 -11.210 6.998 1.00 0.56 C ATOM 80 O2 C A 3 1.788 -11.301 7.859 1.00 0.55 O ATOM 81 N3 C A 3 3.690 -10.323 7.109 1.00 0.58 N ATOM 82 C4 C A 3 4.625 -10.258 6.157 1.00 0.65 C ATOM 83 N4 C A 3 5.608 -9.368 6.305 1.00 0.71 N ATOM 84 C5 C A 3 4.593 -11.103 5.011 1.00 0.71 C ATOM 85 C6 C A 3 3.583 -11.977 4.914 1.00 0.68 C ATOM 0 H5' C A 3 0.319 -13.934 1.601 1.00 0.68 H new ATOM 0 H5'' C A 3 1.307 -12.536 1.978 1.00 0.68 H new ATOM 0 H4' C A 3 -0.153 -14.391 3.734 1.00 0.61 H new ATOM 0 H3' C A 3 0.302 -11.412 3.652 1.00 0.56 H new ATOM 0 H2' C A 3 0.132 -11.286 6.067 1.00 0.57 H new ATOM 0 HO2' C A 3 -0.607 -12.984 7.332 1.00 0.64 H new ATOM 0 H1' C A 3 1.493 -13.636 6.650 1.00 0.62 H new ATOM 0 H41 C A 3 6.338 -9.292 5.597 1.00 0.71 H new ATOM 0 H42 C A 3 5.629 -8.764 7.126 1.00 0.71 H new ATOM 0 H5 C A 3 5.355 -11.041 4.248 1.00 0.71 H new ATOM 0 H6 C A 3 3.527 -12.634 4.059 1.00 0.68 H new ATOM 97 P C A 4 -2.171 -10.987 3.225 1.00 0.57 P ATOM 98 OP1 C A 4 -3.154 -11.437 2.207 1.00 0.60 O ATOM 99 OP2 C A 4 -1.093 -10.043 2.836 1.00 0.73 O ATOM 100 O5' C A 4 -2.976 -10.347 4.442 1.00 0.61 O ATOM 101 C5' C A 4 -2.906 -10.932 5.752 1.00 0.51 C ATOM 102 C4' C A 4 -2.951 -9.866 6.817 1.00 0.47 C ATOM 103 O4' C A 4 -1.665 -9.860 7.484 1.00 0.55 O ATOM 104 C3' C A 4 -3.119 -8.449 6.306 1.00 0.45 C ATOM 105 O3' C A 4 -4.502 -8.128 6.179 1.00 0.51 O ATOM 106 C2' C A 4 -2.453 -7.614 7.393 1.00 0.47 C ATOM 107 O2' C A 4 -3.322 -7.315 8.467 1.00 0.57 O ATOM 108 C1' C A 4 -1.339 -8.542 7.880 1.00 0.48 C ATOM 109 N1 C A 4 -0.037 -8.208 7.288 1.00 0.43 N ATOM 110 C2 C A 4 0.731 -7.207 7.875 1.00 0.39 C ATOM 111 O2 C A 4 0.290 -6.624 8.876 1.00 0.43 O ATOM 112 N3 C A 4 1.932 -6.899 7.338 1.00 0.38 N ATOM 113 C4 C A 4 2.365 -7.554 6.258 1.00 0.45 C ATOM 114 N4 C A 4 3.550 -7.224 5.762 1.00 0.51 N ATOM 115 C5 C A 4 1.599 -8.577 5.642 1.00 0.51 C ATOM 116 C6 C A 4 0.416 -8.870 6.182 1.00 0.48 C ATOM 0 H5' C A 4 -1.987 -11.510 5.848 1.00 0.51 H new ATOM 0 H5'' C A 4 -3.735 -11.626 5.890 1.00 0.51 H new ATOM 0 H4' C A 4 -3.811 -10.113 7.439 1.00 0.47 H new ATOM 0 H3' C A 4 -2.686 -8.283 5.320 1.00 0.45 H new ATOM 0 H2' C A 4 -2.121 -6.646 7.018 1.00 0.47 H new ATOM 0 HO2' C A 4 -2.845 -6.780 9.135 1.00 0.57 H new ATOM 0 H1' C A 4 -1.261 -8.436 8.962 1.00 0.48 H new ATOM 0 H41 C A 4 3.910 -7.705 4.938 1.00 0.51 H new ATOM 0 H42 C A 4 4.101 -6.489 6.205 1.00 0.51 H new ATOM 0 H5 C A 4 1.961 -9.099 4.768 1.00 0.51 H new ATOM 0 H6 C A 4 -0.194 -9.643 5.738 1.00 0.48 H new ATOM 128 P U A 5 -4.946 -6.823 5.351 1.00 0.57 P ATOM 129 OP1 U A 5 -6.424 -6.710 5.429 1.00 0.77 O ATOM 130 OP2 U A 5 -4.290 -6.895 4.026 1.00 0.62 O ATOM 131 O5' U A 5 -4.317 -5.616 6.180 1.00 0.49 O ATOM 132 C5' U A 5 -4.842 -5.289 7.475 1.00 0.45 C ATOM 133 C4' U A 5 -4.033 -4.191 8.130 1.00 0.41 C ATOM 134 O4' U A 5 -2.676 -4.640 8.359 1.00 0.47 O ATOM 135 C3' U A 5 -3.850 -2.927 7.311 1.00 0.35 C ATOM 136 O3' U A 5 -5.010 -2.099 7.430 1.00 0.36 O ATOM 137 C2' U A 5 -2.629 -2.288 7.965 1.00 0.41 C ATOM 138 O2' U A 5 -2.959 -1.471 9.072 1.00 0.50 O ATOM 139 C1' U A 5 -1.832 -3.506 8.435 1.00 0.43 C ATOM 140 N1 U A 5 -0.627 -3.738 7.627 1.00 0.43 N ATOM 141 C2 U A 5 0.424 -2.873 7.837 1.00 0.40 C ATOM 142 O2 U A 5 0.370 -1.959 8.644 1.00 0.39 O ATOM 143 N3 U A 5 1.536 -3.113 7.073 1.00 0.43 N ATOM 144 C4 U A 5 1.699 -4.105 6.137 1.00 0.50 C ATOM 145 O4 U A 5 2.768 -4.185 5.525 1.00 0.54 O ATOM 146 C5 U A 5 0.566 -4.964 5.974 1.00 0.55 C ATOM 147 C6 U A 5 -0.538 -4.758 6.708 1.00 0.51 C ATOM 0 H5' U A 5 -4.836 -6.176 8.108 1.00 0.45 H new ATOM 0 H5'' U A 5 -5.881 -4.972 7.380 1.00 0.45 H new ATOM 0 H4' U A 5 -4.610 -3.968 9.028 1.00 0.41 H new ATOM 0 H3' U A 5 -3.717 -3.094 6.242 1.00 0.35 H new ATOM 0 H2' U A 5 -2.098 -1.627 7.280 1.00 0.41 H new ATOM 0 HO2' U A 5 -3.934 -1.420 9.162 1.00 0.50 H new ATOM 0 H1' U A 5 -1.499 -3.324 9.457 1.00 0.43 H new ATOM 0 H3 U A 5 2.329 -2.487 7.215 1.00 0.43 H new ATOM 0 H5 U A 5 0.600 -5.776 5.262 1.00 0.55 H new ATOM 0 H6 U A 5 -1.385 -5.415 6.573 1.00 0.51 H new ATOM 158 P G A 6 -4.868 -0.496 7.389 1.00 0.43 P ATOM 159 OP1 G A 6 -4.860 -0.015 8.794 1.00 0.54 O ATOM 160 OP2 G A 6 -5.879 0.035 6.440 1.00 0.65 O ATOM 161 O5' G A 6 -3.424 -0.238 6.770 1.00 0.43 O ATOM 162 C5' G A 6 -2.485 0.642 7.421 1.00 0.47 C ATOM 163 C4' G A 6 -1.734 1.452 6.391 1.00 0.47 C ATOM 164 O4' G A 6 -0.373 0.964 6.309 1.00 0.53 O ATOM 165 C3' G A 6 -2.246 1.290 4.972 1.00 0.39 C ATOM 166 O3' G A 6 -3.332 2.180 4.733 1.00 0.41 O ATOM 167 C2' G A 6 -1.032 1.669 4.131 1.00 0.48 C ATOM 168 O2' G A 6 -0.946 3.060 3.882 1.00 0.59 O ATOM 169 C1' G A 6 0.136 1.216 5.011 1.00 0.49 C ATOM 170 N9 G A 6 0.764 -0.005 4.519 1.00 0.50 N ATOM 171 C8 G A 6 0.242 -1.274 4.551 1.00 0.60 C ATOM 172 N7 G A 6 1.040 -2.169 4.032 1.00 0.63 N ATOM 173 C5 G A 6 2.156 -1.445 3.632 1.00 0.54 C ATOM 174 C6 G A 6 3.354 -1.873 2.999 1.00 0.55 C ATOM 175 O6 G A 6 3.678 -3.017 2.658 1.00 0.61 O ATOM 176 N1 G A 6 4.224 -0.811 2.767 1.00 0.55 N ATOM 177 C2 G A 6 3.968 0.497 3.102 1.00 0.57 C ATOM 178 N2 G A 6 4.928 1.388 2.800 1.00 0.70 N ATOM 179 N3 G A 6 2.856 0.909 3.691 1.00 0.53 N ATOM 180 C4 G A 6 2.001 -0.108 3.925 1.00 0.49 C ATOM 0 H5' G A 6 -1.784 0.060 8.019 1.00 0.47 H new ATOM 0 H5'' G A 6 -3.012 1.307 8.105 1.00 0.47 H new ATOM 0 H4' G A 6 -1.845 2.486 6.718 1.00 0.47 H new ATOM 0 H3' G A 6 -2.624 0.292 4.752 1.00 0.39 H new ATOM 0 H2' G A 6 -1.061 1.213 3.141 1.00 0.48 H new ATOM 0 HO2' G A 6 -0.136 3.250 3.364 1.00 0.59 H new ATOM 0 H1' G A 6 0.892 2.002 5.007 1.00 0.49 H new ATOM 0 H8 G A 6 -0.728 -1.509 4.963 1.00 0.60 H new ATOM 0 H1 G A 6 5.115 -1.019 2.316 1.00 0.55 H new ATOM 0 H21 G A 6 4.797 2.374 3.024 1.00 0.70 H new ATOM 0 H22 G A 6 5.788 1.078 2.347 1.00 0.70 H new ATOM 192 P A A 7 -4.183 2.053 3.376 1.00 0.43 P ATOM 193 OP1 A A 7 -4.606 3.415 2.962 1.00 0.66 O ATOM 194 OP2 A A 7 -5.207 1.000 3.592 1.00 0.74 O ATOM 195 O5' A A 7 -3.131 1.510 2.311 1.00 0.33 O ATOM 196 C5' A A 7 -3.520 1.271 0.946 1.00 0.29 C ATOM 197 C4' A A 7 -2.571 1.967 0.003 1.00 0.23 C ATOM 198 O4' A A 7 -2.711 3.396 0.165 1.00 0.23 O ATOM 199 C3' A A 7 -1.098 1.733 0.281 1.00 0.25 C ATOM 200 O3' A A 7 -0.670 0.514 -0.319 1.00 0.27 O ATOM 201 C2' A A 7 -0.438 2.940 -0.381 1.00 0.24 C ATOM 202 O2' A A 7 -0.169 2.741 -1.755 1.00 0.25 O ATOM 203 C1' A A 7 -1.502 4.024 -0.214 1.00 0.21 C ATOM 204 N9 A A 7 -1.151 5.007 0.811 1.00 0.24 N ATOM 205 C8 A A 7 -1.707 5.166 2.055 1.00 0.29 C ATOM 206 N7 A A 7 -1.172 6.139 2.752 1.00 0.33 N ATOM 207 C5 A A 7 -0.199 6.657 1.909 1.00 0.30 C ATOM 208 C6 A A 7 0.721 7.710 2.059 1.00 0.34 C ATOM 209 N6 A A 7 0.815 8.462 3.158 1.00 0.39 N ATOM 210 N1 A A 7 1.553 7.968 1.026 1.00 0.35 N ATOM 211 C2 A A 7 1.459 7.214 -0.076 1.00 0.32 C ATOM 212 N3 A A 7 0.637 6.200 -0.335 1.00 0.27 N ATOM 213 C4 A A 7 -0.175 5.969 0.710 1.00 0.25 C ATOM 0 H5' A A 7 -4.536 1.630 0.782 1.00 0.29 H new ATOM 0 H5'' A A 7 -3.524 0.200 0.744 1.00 0.29 H new ATOM 0 H4' A A 7 -2.832 1.569 -0.978 1.00 0.23 H new ATOM 0 H3' A A 7 -0.855 1.642 1.340 1.00 0.25 H new ATOM 0 H2' A A 7 0.531 3.169 0.062 1.00 0.24 H new ATOM 0 HO2' A A 7 0.251 3.545 -2.126 1.00 0.25 H new ATOM 0 H1' A A 7 -1.592 4.555 -1.162 1.00 0.21 H new ATOM 0 H8 A A 7 -2.511 4.547 2.426 1.00 0.29 H new ATOM 0 H61 A A 7 1.504 9.212 3.205 1.00 0.39 H new ATOM 0 H62 A A 7 0.197 8.286 3.951 1.00 0.39 H new ATOM 0 H2 A A 7 2.149 7.464 -0.868 1.00 0.32 H new ATOM 225 P A A 8 0.322 -0.462 0.482 1.00 0.37 P ATOM 226 OP1 A A 8 0.108 -1.849 -0.006 1.00 0.44 O ATOM 227 OP2 A A 8 0.176 -0.162 1.928 1.00 0.47 O ATOM 228 O5' A A 8 1.770 0.012 0.020 1.00 0.38 O ATOM 229 C5' A A 8 1.984 0.538 -1.301 1.00 0.39 C ATOM 230 C4' A A 8 2.962 1.685 -1.251 1.00 0.43 C ATOM 231 O4' A A 8 2.319 2.813 -0.609 1.00 0.37 O ATOM 232 C3' A A 8 4.183 1.418 -0.389 1.00 0.53 C ATOM 233 O3' A A 8 5.219 0.764 -1.127 1.00 0.66 O ATOM 234 C2' A A 8 4.613 2.816 0.036 1.00 0.50 C ATOM 235 O2' A A 8 5.436 3.451 -0.922 1.00 0.58 O ATOM 236 C1' A A 8 3.274 3.550 0.133 1.00 0.38 C ATOM 237 N9 A A 8 2.787 3.656 1.507 1.00 0.36 N ATOM 238 C8 A A 8 1.813 2.901 2.108 1.00 0.42 C ATOM 239 N7 A A 8 1.577 3.238 3.352 1.00 0.47 N ATOM 240 C5 A A 8 2.459 4.282 3.588 1.00 0.41 C ATOM 241 C6 A A 8 2.706 5.073 4.723 1.00 0.44 C ATOM 242 N6 A A 8 2.054 4.932 5.878 1.00 0.54 N ATOM 243 N1 A A 8 3.657 6.028 4.628 1.00 0.40 N ATOM 244 C2 A A 8 4.309 6.170 3.468 1.00 0.36 C ATOM 245 N3 A A 8 4.165 5.489 2.332 1.00 0.35 N ATOM 246 C4 A A 8 3.213 4.549 2.460 1.00 0.35 C ATOM 0 H5' A A 8 1.038 0.875 -1.724 1.00 0.39 H new ATOM 0 H5'' A A 8 2.365 -0.246 -1.956 1.00 0.39 H new ATOM 0 H4' A A 8 3.267 1.852 -2.284 1.00 0.43 H new ATOM 0 H3' A A 8 3.972 0.755 0.450 1.00 0.53 H new ATOM 0 H2' A A 8 5.203 2.805 0.952 1.00 0.50 H new ATOM 0 HO2' A A 8 4.992 3.437 -1.795 1.00 0.58 H new ATOM 0 H1' A A 8 3.418 4.560 -0.251 1.00 0.38 H new ATOM 0 H8 A A 8 1.289 2.103 1.603 1.00 0.42 H new ATOM 0 H61 A A 8 2.279 5.537 6.668 1.00 0.54 H new ATOM 0 H62 A A 8 1.331 4.219 5.972 1.00 0.54 H new ATOM 0 H2 A A 8 5.059 6.947 3.450 1.00 0.36 H new ATOM 258 P A A 9 5.229 0.833 -2.734 1.00 1.47 P ATOM 259 OP1 A A 9 5.215 2.261 -3.137 1.00 2.35 O ATOM 260 OP2 A A 9 4.167 -0.080 -3.227 1.00 2.33 O ATOM 261 O5' A A 9 6.640 0.214 -3.135 1.00 1.08 O ATOM 262 C5' A A 9 7.786 0.385 -2.284 1.00 1.04 C ATOM 263 C4' A A 9 8.498 1.670 -2.623 1.00 1.09 C ATOM 264 O4' A A 9 7.907 2.225 -3.823 1.00 1.26 O ATOM 265 C3' A A 9 8.322 2.770 -1.594 1.00 0.99 C ATOM 266 O3' A A 9 9.278 2.643 -0.549 1.00 1.17 O ATOM 267 C2' A A 9 8.554 4.032 -2.413 1.00 1.26 C ATOM 268 O2' A A 9 9.927 4.349 -2.548 1.00 1.57 O ATOM 269 C1' A A 9 7.972 3.639 -3.774 1.00 1.29 C ATOM 270 N9 A A 9 6.616 4.150 -3.972 1.00 0.00 N ATOM 271 C8 A A 9 5.876 4.922 -3.113 1.00 0.00 C ATOM 272 N7 A A 9 4.685 5.226 -3.567 1.00 0.00 N ATOM 273 C5 A A 9 4.636 4.609 -4.809 1.00 0.00 C ATOM 274 C6 A A 9 3.636 4.545 -5.794 1.00 0.00 C ATOM 275 N6 A A 9 2.445 5.138 -5.680 1.00 0.00 N ATOM 276 N1 A A 9 3.904 3.841 -6.914 1.00 0.00 N ATOM 277 C2 A A 9 5.098 3.246 -7.026 1.00 0.00 C ATOM 278 N3 A A 9 6.117 3.234 -6.173 1.00 0.00 N ATOM 279 C4 A A 9 5.819 3.943 -5.071 1.00 0.00 C ATOM 0 H5' A A 9 8.466 -0.459 -2.403 1.00 1.04 H new ATOM 0 H5'' A A 9 7.474 0.398 -1.240 1.00 1.04 H new ATOM 0 H4' A A 9 9.551 1.399 -2.702 1.00 1.09 H new ATOM 0 H3' A A 9 7.352 2.755 -1.097 1.00 0.99 H new ATOM 0 H2' A A 9 8.106 4.914 -1.956 1.00 1.26 H new ATOM 0 HO2' A A 9 10.445 3.852 -1.881 1.00 1.57 H new ATOM 0 H1' A A 9 8.611 4.062 -4.549 1.00 1.29 H new ATOM 0 H8 A A 9 6.241 5.249 -2.151 1.00 0.00 H new ATOM 0 H61 A A 9 1.760 5.055 -6.431 1.00 0.00 H new ATOM 0 H62 A A 9 2.221 5.674 -4.842 1.00 0.00 H new ATOM 0 H2 A A 9 5.256 2.696 -7.942 1.00 0.00 H new ATOM 291 P A A 10 8.968 1.679 0.699 1.00 1.33 P ATOM 292 OP1 A A 10 9.546 0.342 0.408 1.00 2.11 O ATOM 293 OP2 A A 10 7.516 1.798 1.027 1.00 2.10 O ATOM 294 O5' A A 10 9.797 2.328 1.894 1.00 0.79 O ATOM 295 C5' A A 10 9.371 2.156 3.253 1.00 0.59 C ATOM 296 C4' A A 10 9.388 3.477 3.981 1.00 0.54 C ATOM 297 O4' A A 10 8.095 4.105 3.818 1.00 0.50 O ATOM 298 C3' A A 10 9.568 3.345 5.481 1.00 0.50 C ATOM 299 O3' A A 10 10.951 3.340 5.823 1.00 0.61 O ATOM 300 C2' A A 10 8.844 4.565 6.036 1.00 0.50 C ATOM 301 O2' A A 10 9.670 5.713 6.089 1.00 0.61 O ATOM 302 C1' A A 10 7.725 4.772 5.011 1.00 0.48 C ATOM 303 N9 A A 10 6.466 4.175 5.442 1.00 0.45 N ATOM 304 C8 A A 10 5.776 3.185 4.795 1.00 0.45 C ATOM 305 N7 A A 10 4.673 2.825 5.402 1.00 0.51 N ATOM 306 C5 A A 10 4.636 3.634 6.530 1.00 0.54 C ATOM 307 C6 A A 10 3.720 3.739 7.591 1.00 0.64 C ATOM 308 N6 A A 10 2.615 2.997 7.691 1.00 0.72 N ATOM 309 N1 A A 10 3.982 4.644 8.559 1.00 0.69 N ATOM 310 C2 A A 10 5.091 5.388 8.458 1.00 0.66 C ATOM 311 N3 A A 10 6.026 5.381 7.512 1.00 0.58 N ATOM 312 C4 A A 10 5.736 4.472 6.566 1.00 0.51 C ATOM 0 H5' A A 10 10.026 1.446 3.759 1.00 0.59 H new ATOM 0 H5'' A A 10 8.366 1.734 3.275 1.00 0.59 H new ATOM 0 H4' A A 10 10.223 4.039 3.563 1.00 0.54 H new ATOM 0 H3' A A 10 9.171 2.414 5.886 1.00 0.50 H new ATOM 0 H2' A A 10 8.506 4.415 7.061 1.00 0.50 H new ATOM 0 HO2' A A 10 10.609 5.445 6.003 1.00 0.61 H new ATOM 0 H1' A A 10 7.589 5.846 4.882 1.00 0.48 H new ATOM 0 H8 A A 10 6.111 2.742 3.869 1.00 0.45 H new ATOM 0 H61 A A 10 1.988 3.120 8.486 1.00 0.72 H new ATOM 0 H62 A A 10 2.397 2.307 6.972 1.00 0.72 H new ATOM 0 H2 A A 10 5.249 6.095 9.259 1.00 0.66 H new ATOM 324 P A A 11 11.444 2.546 7.131 1.00 0.62 P ATOM 325 OP1 A A 11 12.560 3.309 7.746 1.00 0.77 O ATOM 326 OP2 A A 11 11.653 1.130 6.738 1.00 0.65 O ATOM 327 O5' A A 11 10.192 2.609 8.114 1.00 0.58 O ATOM 328 C5' A A 11 10.031 3.703 9.036 1.00 0.56 C ATOM 329 C4' A A 11 8.683 3.619 9.714 1.00 0.49 C ATOM 330 O4' A A 11 7.674 3.372 8.705 1.00 0.46 O ATOM 331 C3' A A 11 8.537 2.467 10.692 1.00 0.47 C ATOM 332 O3' A A 11 9.007 2.871 11.983 1.00 0.51 O ATOM 333 C2' A A 11 7.035 2.199 10.677 1.00 0.43 C ATOM 334 O2' A A 11 6.320 3.029 11.572 1.00 0.47 O ATOM 335 C1' A A 11 6.649 2.556 9.240 1.00 0.42 C ATOM 336 N9 A A 11 6.515 1.394 8.361 1.00 0.41 N ATOM 337 C8 A A 11 7.446 0.907 7.479 1.00 0.46 C ATOM 338 N7 A A 11 7.035 -0.137 6.798 1.00 0.47 N ATOM 339 C5 A A 11 5.747 -0.355 7.267 1.00 0.42 C ATOM 340 C6 A A 11 4.770 -1.316 6.945 1.00 0.43 C ATOM 341 N6 A A 11 4.938 -2.282 6.034 1.00 0.49 N ATOM 342 N1 A A 11 3.592 -1.252 7.600 1.00 0.40 N ATOM 343 C2 A A 11 3.413 -0.290 8.513 1.00 0.37 C ATOM 344 N3 A A 11 4.251 0.668 8.902 1.00 0.37 N ATOM 345 C4 A A 11 5.414 0.580 8.234 1.00 0.39 C ATOM 0 H5' A A 11 10.121 4.651 8.506 1.00 0.56 H new ATOM 0 H5'' A A 11 10.824 3.678 9.783 1.00 0.56 H new ATOM 0 H4' A A 11 8.576 4.560 10.254 1.00 0.49 H new ATOM 0 H3' A A 11 9.113 1.577 10.438 1.00 0.47 H new ATOM 0 H2' A A 11 6.803 1.178 10.981 1.00 0.43 H new ATOM 0 HO2' A A 11 6.337 2.634 12.469 1.00 0.47 H new ATOM 0 H1' A A 11 5.679 3.050 9.284 1.00 0.42 H new ATOM 0 H8 A A 11 8.427 1.342 7.356 1.00 0.46 H new ATOM 0 H61 A A 11 4.186 -2.946 5.851 1.00 0.49 H new ATOM 0 H62 A A 11 5.818 -2.354 5.523 1.00 0.49 H new ATOM 0 H2 A A 11 2.451 -0.291 9.004 1.00 0.37 H new ATOM 357 P G A 12 8.478 2.131 13.314 1.00 0.56 P ATOM 358 OP1 G A 12 7.036 1.844 13.134 1.00 0.68 O ATOM 359 OP2 G A 12 8.915 2.943 14.478 1.00 0.65 O ATOM 360 O5' G A 12 9.295 0.760 13.366 1.00 0.50 O ATOM 361 C5' G A 12 8.811 -0.449 12.732 1.00 0.47 C ATOM 362 C4' G A 12 7.309 -0.546 12.847 1.00 0.42 C ATOM 363 O4' G A 12 6.763 -0.344 11.522 1.00 0.40 O ATOM 364 C3' G A 12 6.771 -1.901 13.265 1.00 0.39 C ATOM 365 O3' G A 12 6.708 -2.006 14.685 1.00 0.43 O ATOM 366 C2' G A 12 5.375 -1.911 12.652 1.00 0.35 C ATOM 367 O2' G A 12 4.412 -1.280 13.475 1.00 0.37 O ATOM 368 C1' G A 12 5.580 -1.101 11.370 1.00 0.35 C ATOM 369 N9 G A 12 5.754 -1.968 10.212 1.00 0.33 N ATOM 370 C8 G A 12 6.831 -2.012 9.361 1.00 0.36 C ATOM 371 N7 G A 12 6.701 -2.907 8.420 1.00 0.36 N ATOM 372 C5 G A 12 5.464 -3.487 8.667 1.00 0.33 C ATOM 373 C6 G A 12 4.777 -4.519 7.979 1.00 0.36 C ATOM 374 O6 G A 12 5.138 -5.152 6.979 1.00 0.40 O ATOM 375 N1 G A 12 3.545 -4.796 8.566 1.00 0.36 N ATOM 376 C2 G A 12 3.045 -4.161 9.678 1.00 0.34 C ATOM 377 N2 G A 12 1.841 -4.567 10.102 1.00 0.37 N ATOM 378 N3 G A 12 3.675 -3.200 10.326 1.00 0.31 N ATOM 379 C4 G A 12 4.869 -2.915 9.770 1.00 0.31 C ATOM 0 H5' G A 12 9.273 -1.320 13.197 1.00 0.47 H new ATOM 0 H5'' G A 12 9.102 -0.456 11.682 1.00 0.47 H new ATOM 0 H4' G A 12 7.030 0.185 13.606 1.00 0.42 H new ATOM 0 H3' G A 12 7.392 -2.735 12.938 1.00 0.39 H new ATOM 0 H2' G A 12 4.995 -2.922 12.502 1.00 0.35 H new ATOM 0 HO2' G A 12 4.738 -1.254 14.399 1.00 0.37 H new ATOM 0 H1' G A 12 4.703 -0.474 11.210 1.00 0.35 H new ATOM 0 H8 G A 12 7.696 -1.372 9.460 1.00 0.36 H new ATOM 0 H1 G A 12 2.971 -5.524 8.139 1.00 0.36 H new ATOM 0 H21 G A 12 1.417 -4.134 10.922 1.00 0.37 H new ATOM 0 H22 G A 12 1.349 -5.309 9.605 1.00 0.37 H new ATOM 391 P G A 13 7.351 -3.284 15.418 1.00 0.51 P ATOM 392 OP1 G A 13 7.699 -2.898 16.808 1.00 0.57 O ATOM 393 OP2 G A 13 8.403 -3.826 14.522 1.00 0.59 O ATOM 394 O5' G A 13 6.158 -4.340 15.475 1.00 0.57 O ATOM 395 C5' G A 13 4.937 -4.037 16.175 1.00 0.62 C ATOM 396 C4' G A 13 3.856 -5.012 15.786 1.00 0.60 C ATOM 397 O4' G A 13 3.501 -4.768 14.403 1.00 0.59 O ATOM 398 C3' G A 13 4.274 -6.468 15.822 1.00 0.59 C ATOM 399 O3' G A 13 4.067 -7.012 17.123 1.00 0.66 O ATOM 400 C2' G A 13 3.334 -7.107 14.809 1.00 0.57 C ATOM 401 O2' G A 13 2.091 -7.482 15.370 1.00 0.63 O ATOM 402 C1' G A 13 3.135 -5.987 13.787 1.00 0.54 C ATOM 403 N9 G A 13 3.967 -6.165 12.603 1.00 0.50 N ATOM 404 C8 G A 13 5.115 -5.482 12.280 1.00 0.54 C ATOM 405 N7 G A 13 5.640 -5.871 11.150 1.00 0.56 N ATOM 406 C5 G A 13 4.788 -6.871 10.702 1.00 0.50 C ATOM 407 C6 G A 13 4.843 -7.667 9.530 1.00 0.53 C ATOM 408 O6 G A 13 5.684 -7.645 8.624 1.00 0.60 O ATOM 409 N1 G A 13 3.777 -8.562 9.465 1.00 0.51 N ATOM 410 C2 G A 13 2.788 -8.672 10.413 1.00 0.48 C ATOM 411 N2 G A 13 1.844 -9.595 10.176 1.00 0.52 N ATOM 412 N3 G A 13 2.727 -7.936 11.509 1.00 0.47 N ATOM 413 C4 G A 13 3.751 -7.063 11.588 1.00 0.47 C ATOM 0 H5' G A 13 4.620 -3.020 15.943 1.00 0.62 H new ATOM 0 H5'' G A 13 5.106 -4.081 17.251 1.00 0.62 H new ATOM 0 H4' G A 13 3.054 -4.856 16.507 1.00 0.60 H new ATOM 0 H3' G A 13 5.328 -6.630 15.595 1.00 0.59 H new ATOM 0 H2' G A 13 3.742 -8.031 14.399 1.00 0.57 H new ATOM 0 HO2' G A 13 1.968 -8.450 15.275 1.00 0.63 H new ATOM 0 H1' G A 13 2.092 -5.995 13.470 1.00 0.54 H new ATOM 0 H8 G A 13 5.539 -4.704 12.897 1.00 0.54 H new ATOM 0 H1 G A 13 3.727 -9.180 8.655 1.00 0.51 H new ATOM 0 H21 G A 13 1.082 -9.727 10.841 1.00 0.52 H new ATOM 0 H22 G A 13 1.889 -10.165 9.331 1.00 0.52 H new ATOM 425 P G A 14 4.946 -8.264 17.613 1.00 0.74 P ATOM 426 OP1 G A 14 4.969 -8.237 19.097 1.00 0.80 O ATOM 427 OP2 G A 14 6.226 -8.259 16.860 1.00 0.90 O ATOM 428 O5' G A 14 4.100 -9.533 17.154 1.00 0.68 O ATOM 429 C5' G A 14 2.713 -9.670 17.518 1.00 0.70 C ATOM 430 C4' G A 14 2.039 -10.686 16.624 1.00 0.68 C ATOM 431 O4' G A 14 2.055 -10.188 15.263 1.00 0.67 O ATOM 432 C3' G A 14 2.755 -12.017 16.526 1.00 0.67 C ATOM 433 O3' G A 14 2.379 -12.870 17.602 1.00 0.77 O ATOM 434 C2' G A 14 2.265 -12.558 15.189 1.00 0.67 C ATOM 435 O2' G A 14 1.010 -13.204 15.285 1.00 0.80 O ATOM 436 C1' G A 14 2.122 -11.278 14.361 1.00 0.61 C ATOM 437 N9 G A 14 3.267 -11.065 13.484 1.00 0.50 N ATOM 438 C8 G A 14 4.297 -10.174 13.666 1.00 0.50 C ATOM 439 N7 G A 14 5.189 -10.223 12.714 1.00 0.47 N ATOM 440 C5 G A 14 4.718 -11.203 11.852 1.00 0.41 C ATOM 441 C6 G A 14 5.262 -11.699 10.639 1.00 0.40 C ATOM 442 O6 G A 14 6.304 -11.357 10.068 1.00 0.45 O ATOM 443 N1 G A 14 4.461 -12.696 10.083 1.00 0.41 N ATOM 444 C2 G A 14 3.285 -13.151 10.632 1.00 0.46 C ATOM 445 N2 G A 14 2.651 -14.116 9.953 1.00 0.55 N ATOM 446 N3 G A 14 2.769 -12.696 11.762 1.00 0.49 N ATOM 447 C4 G A 14 3.532 -11.731 12.313 1.00 0.44 C ATOM 0 H5' G A 14 2.209 -8.707 17.431 1.00 0.70 H new ATOM 0 H5'' G A 14 2.631 -9.980 18.560 1.00 0.70 H new ATOM 0 H4' G A 14 1.052 -10.831 17.062 1.00 0.68 H new ATOM 0 H3' G A 14 3.841 -11.940 16.585 1.00 0.67 H new ATOM 0 H2' G A 14 2.938 -13.309 14.775 1.00 0.67 H new ATOM 0 HO2' G A 14 0.742 -13.531 14.401 1.00 0.80 H new ATOM 0 H1' G A 14 1.229 -11.364 13.742 1.00 0.61 H new ATOM 0 H8 G A 14 4.362 -9.503 14.509 1.00 0.50 H new ATOM 0 H1 G A 14 4.769 -13.118 9.207 1.00 0.41 H new ATOM 0 H21 G A 14 1.773 -14.497 10.307 1.00 0.55 H new ATOM 0 H22 G A 14 3.046 -14.470 9.082 1.00 0.55 H new ATOM 459 P C A 15 3.442 -13.922 18.188 1.00 0.87 P ATOM 460 OP1 C A 15 2.884 -14.503 19.436 1.00 1.02 O ATOM 461 OP2 C A 15 4.765 -13.248 18.220 1.00 0.91 O ATOM 462 O5' C A 15 3.490 -15.063 17.080 1.00 0.85 O ATOM 463 C5' C A 15 2.279 -15.683 16.616 1.00 0.94 C ATOM 464 C4' C A 15 2.578 -16.613 15.465 1.00 0.97 C ATOM 465 O4' C A 15 2.822 -15.835 14.271 1.00 0.84 O ATOM 466 C3' C A 15 3.859 -17.405 15.631 1.00 1.09 C ATOM 467 O3' C A 15 3.633 -18.586 16.411 1.00 1.31 O ATOM 468 C2' C A 15 4.218 -17.764 14.193 1.00 1.09 C ATOM 469 O2' C A 15 3.598 -18.958 13.753 1.00 1.30 O ATOM 470 C1' C A 15 3.675 -16.567 13.410 1.00 0.89 C ATOM 471 N1 C A 15 4.746 -15.676 12.946 1.00 0.75 N ATOM 472 C2 C A 15 5.485 -16.047 11.819 1.00 0.77 C ATOM 473 O2 C A 15 5.211 -17.108 11.241 1.00 0.89 O ATOM 474 N3 C A 15 6.479 -15.246 11.389 1.00 0.70 N ATOM 475 C4 C A 15 6.747 -14.113 12.034 1.00 0.66 C ATOM 476 N4 C A 15 7.736 -13.362 11.567 1.00 0.71 N ATOM 477 C5 C A 15 6.010 -13.706 13.183 1.00 0.64 C ATOM 478 C6 C A 15 5.026 -14.510 13.603 1.00 0.66 C ATOM 0 H5' C A 15 1.568 -14.919 16.301 1.00 0.94 H new ATOM 0 H5'' C A 15 1.811 -16.238 17.429 1.00 0.94 H new ATOM 0 H4' C A 15 1.717 -17.279 15.416 1.00 0.97 H new ATOM 0 H3' C A 15 4.644 -16.856 16.151 1.00 1.09 H new ATOM 0 H2' C A 15 5.286 -17.945 14.068 1.00 1.09 H new ATOM 0 HO2' C A 15 3.248 -19.449 14.526 1.00 1.30 H new ATOM 0 HO3' C A 15 4.473 -19.082 16.504 1.00 1.31 H new ATOM 0 H1' C A 15 3.148 -16.940 12.532 1.00 0.89 H new ATOM 0 H41 C A 15 7.974 -12.486 12.032 1.00 0.71 H new ATOM 0 H42 C A 15 8.258 -13.661 10.743 1.00 0.71 H new ATOM 0 H5 C A 15 6.237 -12.783 13.696 1.00 0.64 H new ATOM 0 H6 C A 15 4.446 -14.234 14.471 1.00 0.66 H new TER 490 C A 15 ATOM 491 N ASP B 19 2.417 -19.359 -6.978 1.00 0.00 N ATOM 492 CA ASP B 19 3.704 -19.930 -7.468 1.00 0.00 C ATOM 493 C ASP B 19 4.748 -19.918 -6.348 1.00 0.00 C ATOM 494 O ASP B 19 4.900 -18.942 -5.639 1.00 0.00 O ATOM 495 CB ASP B 19 4.134 -19.011 -8.611 1.00 0.00 C ATOM 496 CG ASP B 19 5.305 -19.647 -9.364 1.00 0.00 C ATOM 497 OD1 ASP B 19 5.968 -20.491 -8.784 1.00 0.00 O ATOM 498 OD2 ASP B 19 5.519 -19.278 -10.507 1.00 0.00 O ATOM 0 HA ASP B 19 3.600 -20.965 -7.794 1.00 0.00 H new ATOM 0 HB2 ASP B 19 3.299 -18.843 -9.291 1.00 0.00 H new ATOM 0 HB3 ASP B 19 4.426 -18.037 -8.219 1.00 0.00 H new ATOM 505 N ARG B 20 5.468 -20.993 -6.182 1.00 0.00 N ATOM 506 CA ARG B 20 6.500 -21.040 -5.108 1.00 0.00 C ATOM 507 C ARG B 20 7.582 -19.989 -5.368 1.00 0.00 C ATOM 508 O ARG B 20 8.288 -19.575 -4.470 1.00 0.00 O ATOM 509 CB ARG B 20 7.091 -22.448 -5.188 1.00 0.00 C ATOM 510 CG ARG B 20 6.034 -23.469 -4.762 1.00 0.00 C ATOM 511 CD ARG B 20 5.825 -23.386 -3.248 1.00 0.00 C ATOM 512 NE ARG B 20 5.011 -24.587 -2.910 1.00 0.00 N ATOM 513 CZ ARG B 20 4.825 -24.919 -1.663 1.00 0.00 C ATOM 514 NH1 ARG B 20 3.655 -24.752 -1.110 1.00 0.00 N ATOM 515 NH2 ARG B 20 5.810 -25.419 -0.967 1.00 0.00 N ATOM 0 H ARG B 20 5.386 -21.841 -6.743 1.00 0.00 H new ATOM 0 HA ARG B 20 6.082 -20.829 -4.124 1.00 0.00 H new ATOM 0 HB2 ARG B 20 7.425 -22.657 -6.204 1.00 0.00 H new ATOM 0 HB3 ARG B 20 7.966 -22.524 -4.543 1.00 0.00 H new ATOM 0 HG2 ARG B 20 5.095 -23.274 -5.281 1.00 0.00 H new ATOM 0 HG3 ARG B 20 6.350 -24.474 -5.042 1.00 0.00 H new ATOM 0 HD2 ARG B 20 6.777 -23.391 -2.716 1.00 0.00 H new ATOM 0 HD3 ARG B 20 5.309 -22.467 -2.970 1.00 0.00 H new ATOM 0 HE ARG B 20 4.599 -25.150 -3.654 1.00 0.00 H new ATOM 0 HH11 ARG B 20 2.885 -24.362 -1.653 1.00 0.00 H new ATOM 0 HH12 ARG B 20 3.510 -25.012 -0.134 1.00 0.00 H new ATOM 0 HH21 ARG B 20 6.725 -25.550 -1.399 1.00 0.00 H new ATOM 0 HH22 ARG B 20 5.665 -25.679 0.009 1.00 0.00 H new ATOM 529 N GLY B 21 7.716 -19.554 -6.591 1.00 0.00 N ATOM 530 CA GLY B 21 8.751 -18.530 -6.908 1.00 0.00 C ATOM 531 C GLY B 21 8.337 -17.183 -6.313 1.00 0.00 C ATOM 532 O GLY B 21 9.163 -16.338 -6.032 1.00 0.00 O ATOM 0 H GLY B 21 7.154 -19.863 -7.384 1.00 0.00 H new ATOM 0 HA2 GLY B 21 9.716 -18.836 -6.504 1.00 0.00 H new ATOM 0 HA3 GLY B 21 8.871 -18.441 -7.988 1.00 0.00 H new ATOM 536 N LEU B 22 7.063 -16.976 -6.117 1.00 0.00 N ATOM 537 CA LEU B 22 6.600 -15.682 -5.538 1.00 0.00 C ATOM 538 C LEU B 22 6.807 -15.680 -4.021 1.00 0.00 C ATOM 539 O LEU B 22 6.948 -16.717 -3.404 1.00 0.00 O ATOM 540 CB LEU B 22 5.111 -15.604 -5.877 1.00 0.00 C ATOM 541 CG LEU B 22 4.937 -15.496 -7.392 1.00 0.00 C ATOM 542 CD1 LEU B 22 3.445 -15.471 -7.731 1.00 0.00 C ATOM 543 CD2 LEU B 22 5.594 -14.207 -7.890 1.00 0.00 C ATOM 0 H LEU B 22 6.324 -17.645 -6.332 1.00 0.00 H new ATOM 0 HA LEU B 22 7.152 -14.830 -5.936 1.00 0.00 H new ATOM 0 HB2 LEU B 22 4.595 -16.489 -5.503 1.00 0.00 H new ATOM 0 HB3 LEU B 22 4.660 -14.741 -5.386 1.00 0.00 H new ATOM 0 HG LEU B 22 5.407 -16.353 -7.875 1.00 0.00 H new ATOM 0 HD11 LEU B 22 3.318 -15.394 -8.811 1.00 0.00 H new ATOM 0 HD12 LEU B 22 2.976 -16.388 -7.375 1.00 0.00 H new ATOM 0 HD13 LEU B 22 2.977 -14.613 -7.249 1.00 0.00 H new ATOM 0 HD21 LEU B 22 5.470 -14.129 -8.970 1.00 0.00 H new ATOM 0 HD22 LEU B 22 5.124 -13.350 -7.408 1.00 0.00 H new ATOM 0 HD23 LEU B 22 6.656 -14.223 -7.647 1.00 0.00 H new ATOM 555 N THR B 23 6.828 -14.525 -3.417 1.00 0.00 N ATOM 556 CA THR B 23 7.027 -14.460 -1.942 1.00 0.00 C ATOM 557 C THR B 23 5.916 -13.630 -1.291 1.00 0.00 C ATOM 558 O THR B 23 4.992 -13.191 -1.946 1.00 0.00 O ATOM 559 CB THR B 23 8.384 -13.779 -1.757 1.00 0.00 C ATOM 560 OG1 THR B 23 8.622 -13.568 -0.373 1.00 0.00 O ATOM 561 CG2 THR B 23 8.387 -12.436 -2.489 1.00 0.00 C ATOM 0 H THR B 23 6.716 -13.623 -3.880 1.00 0.00 H new ATOM 0 HA THR B 23 6.997 -15.446 -1.478 1.00 0.00 H new ATOM 0 HB THR B 23 9.169 -14.415 -2.167 1.00 0.00 H new ATOM 0 HG1 THR B 23 8.646 -14.431 0.090 1.00 0.00 H new ATOM 0 HG21 THR B 23 9.354 -11.952 -2.357 1.00 0.00 H new ATOM 0 HG22 THR B 23 8.206 -12.600 -3.551 1.00 0.00 H new ATOM 0 HG23 THR B 23 7.603 -11.798 -2.082 1.00 0.00 H new ATOM 569 N SER B 24 6.000 -13.415 -0.007 1.00 0.00 N ATOM 570 CA SER B 24 4.949 -12.615 0.686 1.00 0.00 C ATOM 571 C SER B 24 4.873 -11.207 0.091 1.00 0.00 C ATOM 572 O SER B 24 3.847 -10.558 0.138 1.00 0.00 O ATOM 573 CB SER B 24 5.396 -12.557 2.147 1.00 0.00 C ATOM 574 OG SER B 24 5.444 -13.873 2.678 1.00 0.00 O ATOM 0 H SER B 24 6.750 -13.758 0.593 1.00 0.00 H new ATOM 0 HA SER B 24 3.958 -13.056 0.579 1.00 0.00 H new ATOM 0 HB2 SER B 24 6.377 -12.087 2.220 1.00 0.00 H new ATOM 0 HB3 SER B 24 4.705 -11.944 2.726 1.00 0.00 H new ATOM 0 HG SER B 24 5.897 -13.859 3.547 1.00 0.00 H new ATOM 580 N ARG B 25 5.950 -10.729 -0.468 1.00 0.00 N ATOM 581 CA ARG B 25 5.934 -9.362 -1.062 1.00 0.00 C ATOM 582 C ARG B 25 5.222 -9.383 -2.418 1.00 0.00 C ATOM 583 O ARG B 25 4.437 -8.510 -2.730 1.00 0.00 O ATOM 584 CB ARG B 25 7.408 -8.987 -1.234 1.00 0.00 C ATOM 585 CG ARG B 25 7.998 -8.610 0.127 1.00 0.00 C ATOM 586 CD ARG B 25 9.334 -7.892 -0.076 1.00 0.00 C ATOM 587 NE ARG B 25 9.822 -7.602 1.302 1.00 0.00 N ATOM 588 CZ ARG B 25 11.013 -7.097 1.480 1.00 0.00 C ATOM 589 NH1 ARG B 25 12.061 -7.721 1.019 1.00 0.00 N ATOM 590 NH2 ARG B 25 11.153 -5.969 2.119 1.00 0.00 N ATOM 0 H ARG B 25 6.839 -11.224 -0.539 1.00 0.00 H new ATOM 0 HA ARG B 25 5.402 -8.645 -0.436 1.00 0.00 H new ATOM 0 HB2 ARG B 25 7.960 -9.823 -1.663 1.00 0.00 H new ATOM 0 HB3 ARG B 25 7.504 -8.152 -1.928 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.306 -7.966 0.669 1.00 0.00 H new ATOM 0 HG3 ARG B 25 8.142 -9.505 0.733 1.00 0.00 H new ATOM 0 HD2 ARG B 25 10.040 -8.517 -0.623 1.00 0.00 H new ATOM 0 HD3 ARG B 25 9.207 -6.975 -0.652 1.00 0.00 H new ATOM 0 HE ARG B 25 9.226 -7.798 2.106 1.00 0.00 H new ATOM 0 HH11 ARG B 25 11.950 -8.603 0.519 1.00 0.00 H new ATOM 0 HH12 ARG B 25 12.991 -7.327 1.158 1.00 0.00 H new ATOM 0 HH21 ARG B 25 10.333 -5.482 2.479 1.00 0.00 H new ATOM 0 HH22 ARG B 25 12.083 -5.574 2.258 1.00 0.00 H new ATOM 604 N ASP B 26 5.487 -10.374 -3.226 1.00 0.00 N ATOM 605 CA ASP B 26 4.825 -10.447 -4.560 1.00 0.00 C ATOM 606 C ASP B 26 3.320 -10.687 -4.398 1.00 0.00 C ATOM 607 O ASP B 26 2.512 -9.820 -4.665 1.00 0.00 O ATOM 608 CB ASP B 26 5.483 -11.633 -5.265 1.00 0.00 C ATOM 609 CG ASP B 26 6.940 -11.294 -5.583 1.00 0.00 C ATOM 610 OD1 ASP B 26 7.365 -10.206 -5.229 1.00 0.00 O ATOM 611 OD2 ASP B 26 7.606 -12.127 -6.176 1.00 0.00 O ATOM 0 H ASP B 26 6.133 -11.136 -3.020 1.00 0.00 H new ATOM 0 HA ASP B 26 4.938 -9.522 -5.125 1.00 0.00 H new ATOM 0 HB2 ASP B 26 5.435 -12.519 -4.631 1.00 0.00 H new ATOM 0 HB3 ASP B 26 4.945 -11.868 -6.183 1.00 0.00 H new ATOM 616 N ARG B 27 2.939 -11.858 -3.967 1.00 0.00 N ATOM 617 CA ARG B 27 1.487 -12.154 -3.792 1.00 0.00 C ATOM 618 C ARG B 27 0.772 -10.961 -3.151 1.00 0.00 C ATOM 619 O ARG B 27 -0.270 -10.534 -3.607 1.00 0.00 O ATOM 620 CB ARG B 27 1.438 -13.370 -2.866 1.00 0.00 C ATOM 621 CG ARG B 27 -0.017 -13.788 -2.647 1.00 0.00 C ATOM 622 CD ARG B 27 -0.080 -14.886 -1.585 1.00 0.00 C ATOM 623 NE ARG B 27 -1.526 -15.224 -1.467 1.00 0.00 N ATOM 624 CZ ARG B 27 -1.893 -16.325 -0.869 1.00 0.00 C ATOM 625 NH1 ARG B 27 -1.198 -17.418 -1.030 1.00 0.00 N ATOM 626 NH2 ARG B 27 -2.954 -16.332 -0.109 1.00 0.00 N ATOM 0 H ARG B 27 3.570 -12.623 -3.728 1.00 0.00 H new ATOM 0 HA ARG B 27 0.990 -12.345 -4.743 1.00 0.00 H new ATOM 0 HB2 ARG B 27 2.003 -14.195 -3.301 1.00 0.00 H new ATOM 0 HB3 ARG B 27 1.907 -13.132 -1.911 1.00 0.00 H new ATOM 0 HG2 ARG B 27 -0.609 -12.929 -2.332 1.00 0.00 H new ATOM 0 HG3 ARG B 27 -0.448 -14.147 -3.582 1.00 0.00 H new ATOM 0 HD2 ARG B 27 0.506 -15.756 -1.881 1.00 0.00 H new ATOM 0 HD3 ARG B 27 0.323 -14.539 -0.634 1.00 0.00 H new ATOM 0 HE ARG B 27 -2.230 -14.595 -1.854 1.00 0.00 H new ATOM 0 HH11 ARG B 27 -0.368 -17.412 -1.623 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -1.485 -18.278 -0.563 1.00 0.00 H new ATOM 0 HH21 ARG B 27 -3.496 -15.477 0.018 1.00 0.00 H new ATOM 0 HH22 ARG B 27 -3.241 -17.192 0.358 1.00 0.00 H new ATOM 640 N ARG B 28 1.321 -10.417 -2.099 1.00 0.00 N ATOM 641 CA ARG B 28 0.665 -9.253 -1.440 1.00 0.00 C ATOM 642 C ARG B 28 0.793 -8.006 -2.319 1.00 0.00 C ATOM 643 O ARG B 28 -0.129 -7.224 -2.440 1.00 0.00 O ATOM 644 CB ARG B 28 1.413 -9.056 -0.123 1.00 0.00 C ATOM 645 CG ARG B 28 0.712 -7.970 0.698 1.00 0.00 C ATOM 646 CD ARG B 28 1.342 -7.890 2.089 1.00 0.00 C ATOM 647 NE ARG B 28 1.888 -6.507 2.182 1.00 0.00 N ATOM 648 CZ ARG B 28 3.178 -6.320 2.233 1.00 0.00 C ATOM 649 NH1 ARG B 28 3.973 -7.057 1.506 1.00 0.00 N ATOM 650 NH2 ARG B 28 3.673 -5.398 3.011 1.00 0.00 N ATOM 0 H ARG B 28 2.192 -10.727 -1.669 1.00 0.00 H new ATOM 0 HA ARG B 28 -0.399 -9.423 -1.278 1.00 0.00 H new ATOM 0 HB2 ARG B 28 1.440 -9.991 0.437 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.447 -8.771 -0.318 1.00 0.00 H new ATOM 0 HG2 ARG B 28 0.797 -7.007 0.194 1.00 0.00 H new ATOM 0 HG3 ARG B 28 -0.352 -8.193 0.782 1.00 0.00 H new ATOM 0 HD2 ARG B 28 0.604 -8.077 2.869 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.129 -8.635 2.210 1.00 0.00 H new ATOM 0 HE ARG B 28 1.254 -5.708 2.206 1.00 0.00 H new ATOM 0 HH11 ARG B 28 3.586 -7.779 0.898 1.00 0.00 H new ATOM 0 HH12 ARG B 28 4.982 -6.911 1.546 1.00 0.00 H new ATOM 0 HH21 ARG B 28 3.052 -4.823 3.580 1.00 0.00 H new ATOM 0 HH22 ARG B 28 4.682 -5.252 3.051 1.00 0.00 H new ATOM 664 N ARG B 29 1.928 -7.814 -2.935 1.00 0.00 N ATOM 665 CA ARG B 29 2.104 -6.615 -3.803 1.00 0.00 C ATOM 666 C ARG B 29 0.868 -6.421 -4.684 1.00 0.00 C ATOM 667 O ARG B 29 0.526 -5.315 -5.051 1.00 0.00 O ATOM 668 CB ARG B 29 3.333 -6.915 -4.663 1.00 0.00 C ATOM 669 CG ARG B 29 3.456 -5.855 -5.759 1.00 0.00 C ATOM 670 CD ARG B 29 4.727 -6.105 -6.572 1.00 0.00 C ATOM 671 NE ARG B 29 5.116 -4.765 -7.095 1.00 0.00 N ATOM 672 CZ ARG B 29 5.663 -4.659 -8.275 1.00 0.00 C ATOM 673 NH1 ARG B 29 6.714 -5.373 -8.574 1.00 0.00 N ATOM 674 NH2 ARG B 29 5.160 -3.838 -9.156 1.00 0.00 N ATOM 0 H ARG B 29 2.737 -8.432 -2.875 1.00 0.00 H new ATOM 0 HA ARG B 29 2.232 -5.702 -3.222 1.00 0.00 H new ATOM 0 HB2 ARG B 29 4.231 -6.921 -4.045 1.00 0.00 H new ATOM 0 HB3 ARG B 29 3.246 -7.906 -5.108 1.00 0.00 H new ATOM 0 HG2 ARG B 29 2.583 -5.888 -6.411 1.00 0.00 H new ATOM 0 HG3 ARG B 29 3.486 -4.860 -5.315 1.00 0.00 H new ATOM 0 HD2 ARG B 29 5.515 -6.531 -5.952 1.00 0.00 H new ATOM 0 HD3 ARG B 29 4.545 -6.809 -7.384 1.00 0.00 H new ATOM 0 HE ARG B 29 4.955 -3.931 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG B 29 7.108 -6.014 -7.885 1.00 0.00 H new ATOM 0 HH12 ARG B 29 7.141 -5.290 -9.496 1.00 0.00 H new ATOM 0 HH21 ARG B 29 4.339 -3.279 -8.922 1.00 0.00 H new ATOM 0 HH22 ARG B 29 5.588 -3.755 -10.078 1.00 0.00 H new ATOM 688 N ILE B 30 0.193 -7.486 -5.024 1.00 0.00 N ATOM 689 CA ILE B 30 -1.019 -7.347 -5.879 1.00 0.00 C ATOM 690 C ILE B 30 -2.211 -6.894 -5.035 1.00 0.00 C ATOM 691 O ILE B 30 -2.948 -6.014 -5.419 1.00 0.00 O ATOM 692 CB ILE B 30 -1.279 -8.733 -6.461 1.00 0.00 C ATOM 693 CG1 ILE B 30 -0.076 -9.174 -7.296 1.00 0.00 C ATOM 694 CG2 ILE B 30 -2.523 -8.669 -7.349 1.00 0.00 C ATOM 695 CD1 ILE B 30 -0.218 -10.655 -7.652 1.00 0.00 C ATOM 0 H ILE B 30 0.427 -8.440 -4.749 1.00 0.00 H new ATOM 0 HA ILE B 30 -0.875 -6.604 -6.663 1.00 0.00 H new ATOM 0 HB ILE B 30 -1.435 -9.450 -5.655 1.00 0.00 H new ATOM 0 HG12 ILE B 30 -0.011 -8.575 -8.204 1.00 0.00 H new ATOM 0 HG13 ILE B 30 0.847 -9.010 -6.739 1.00 0.00 H new ATOM 0 HG21 ILE B 30 -2.720 -9.654 -7.771 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -3.379 -8.352 -6.754 1.00 0.00 H new ATOM 0 HG23 ILE B 30 -2.358 -7.955 -8.156 1.00 0.00 H new ATOM 0 HD11 ILE B 30 0.639 -10.970 -8.247 1.00 0.00 H new ATOM 0 HD12 ILE B 30 -0.262 -11.246 -6.737 1.00 0.00 H new ATOM 0 HD13 ILE B 30 -1.133 -10.805 -8.225 1.00 0.00 H new ATOM 707 N ALA B 31 -2.410 -7.480 -3.887 1.00 0.00 N ATOM 708 CA ALA B 31 -3.559 -7.050 -3.042 1.00 0.00 C ATOM 709 C ALA B 31 -3.575 -5.525 -2.972 1.00 0.00 C ATOM 710 O ALA B 31 -4.612 -4.907 -2.843 1.00 0.00 O ATOM 711 CB ALA B 31 -3.297 -7.658 -1.664 1.00 0.00 C ATOM 0 H ALA B 31 -1.835 -8.229 -3.501 1.00 0.00 H new ATOM 0 HA ALA B 31 -4.523 -7.373 -3.435 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -4.105 -7.383 -0.986 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -3.248 -8.744 -1.749 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -2.351 -7.281 -1.274 1.00 0.00 H new ATOM 717 N ARG B 32 -2.426 -4.915 -3.079 1.00 0.00 N ATOM 718 CA ARG B 32 -2.366 -3.429 -3.046 1.00 0.00 C ATOM 719 C ARG B 32 -2.976 -2.882 -4.338 1.00 0.00 C ATOM 720 O ARG B 32 -3.571 -1.822 -4.361 1.00 0.00 O ATOM 721 CB ARG B 32 -0.877 -3.097 -2.950 1.00 0.00 C ATOM 722 CG ARG B 32 -0.277 -3.829 -1.746 1.00 0.00 C ATOM 723 CD ARG B 32 1.209 -3.489 -1.621 1.00 0.00 C ATOM 724 NE ARG B 32 1.639 -4.120 -0.342 1.00 0.00 N ATOM 725 CZ ARG B 32 2.873 -4.518 -0.192 1.00 0.00 C ATOM 726 NH1 ARG B 32 3.765 -3.706 0.306 1.00 0.00 N ATOM 727 NH2 ARG B 32 3.216 -5.727 -0.542 1.00 0.00 N ATOM 0 H ARG B 32 -1.526 -5.383 -3.188 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.919 -2.991 -2.215 1.00 0.00 H new ATOM 0 HB2 ARG B 32 -0.365 -3.396 -3.865 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.738 -2.021 -2.844 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.803 -3.542 -0.835 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.405 -4.905 -1.862 1.00 0.00 H new ATOM 0 HD2 ARG B 32 1.776 -3.880 -2.465 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.368 -2.411 -1.603 1.00 0.00 H new ATOM 0 HE ARG B 32 0.969 -4.241 0.417 1.00 0.00 H new ATOM 0 HH11 ARG B 32 3.498 -2.760 0.578 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.729 -4.017 0.423 1.00 0.00 H new ATOM 0 HH21 ARG B 32 2.520 -6.362 -0.933 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.180 -6.038 -0.425 1.00 0.00 H new ATOM 741 N TRP B 33 -2.855 -3.622 -5.408 1.00 0.00 N ATOM 742 CA TRP B 33 -3.448 -3.181 -6.701 1.00 0.00 C ATOM 743 C TRP B 33 -4.911 -2.812 -6.481 1.00 0.00 C ATOM 744 O TRP B 33 -5.505 -2.071 -7.239 1.00 0.00 O ATOM 745 CB TRP B 33 -3.350 -4.403 -7.618 1.00 0.00 C ATOM 746 CG TRP B 33 -4.051 -4.114 -8.904 1.00 0.00 C ATOM 747 CD1 TRP B 33 -3.627 -3.226 -9.821 1.00 0.00 C ATOM 748 CD2 TRP B 33 -5.283 -4.689 -9.428 1.00 0.00 C ATOM 749 NE1 TRP B 33 -4.516 -3.210 -10.879 1.00 0.00 N ATOM 750 CE2 TRP B 33 -5.555 -4.097 -10.684 1.00 0.00 C ATOM 751 CE3 TRP B 33 -6.181 -5.655 -8.943 1.00 0.00 C ATOM 752 CZ2 TRP B 33 -6.679 -4.448 -11.432 1.00 0.00 C ATOM 753 CZ3 TRP B 33 -7.314 -6.012 -9.693 1.00 0.00 C ATOM 754 CH2 TRP B 33 -7.562 -5.409 -10.935 1.00 0.00 C ATOM 0 H TRP B 33 -2.368 -4.518 -5.440 1.00 0.00 H new ATOM 0 HA TRP B 33 -2.941 -2.313 -7.122 1.00 0.00 H new ATOM 0 HB2 TRP B 33 -2.305 -4.647 -7.807 1.00 0.00 H new ATOM 0 HB3 TRP B 33 -3.797 -5.271 -7.134 1.00 0.00 H new ATOM 0 HD1 TRP B 33 -2.735 -2.622 -9.743 1.00 0.00 H new ATOM 0 HE1 TRP B 33 -4.416 -2.616 -11.702 1.00 0.00 H new ATOM 0 HE3 TRP B 33 -5.999 -6.126 -7.988 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 -6.865 -3.980 -12.388 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 -7.998 -6.755 -9.311 1.00 0.00 H new ATOM 0 HH2 TRP B 33 -8.435 -5.688 -11.506 1.00 0.00 H new ATOM 765 N GLU B 34 -5.495 -3.342 -5.445 1.00 0.00 N ATOM 766 CA GLU B 34 -6.921 -3.051 -5.151 1.00 0.00 C ATOM 767 C GLU B 34 -7.028 -2.185 -3.897 1.00 0.00 C ATOM 768 O GLU B 34 -8.004 -1.492 -3.687 1.00 0.00 O ATOM 769 CB GLU B 34 -7.539 -4.429 -4.934 1.00 0.00 C ATOM 770 CG GLU B 34 -7.333 -5.260 -6.202 1.00 0.00 C ATOM 771 CD GLU B 34 -6.967 -6.695 -5.820 1.00 0.00 C ATOM 772 OE1 GLU B 34 -6.577 -6.903 -4.683 1.00 0.00 O ATOM 773 OE2 GLU B 34 -7.084 -7.561 -6.671 1.00 0.00 O ATOM 0 H GLU B 34 -5.039 -3.971 -4.784 1.00 0.00 H new ATOM 0 HA GLU B 34 -7.424 -2.499 -5.945 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -7.075 -4.921 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -8.602 -4.336 -4.711 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -8.241 -5.254 -6.805 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -6.543 -4.822 -6.812 1.00 0.00 H new ATOM 780 N LYS B 35 -6.020 -2.206 -3.069 1.00 0.00 N ATOM 781 CA LYS B 35 -6.048 -1.370 -1.838 1.00 0.00 C ATOM 782 C LYS B 35 -5.326 -0.047 -2.106 1.00 0.00 C ATOM 783 O LYS B 35 -5.386 0.878 -1.320 1.00 0.00 O ATOM 784 CB LYS B 35 -5.305 -2.189 -0.782 1.00 0.00 C ATOM 785 CG LYS B 35 -6.252 -3.234 -0.189 1.00 0.00 C ATOM 786 CD LYS B 35 -5.567 -3.937 0.984 1.00 0.00 C ATOM 787 CE LYS B 35 -6.216 -5.304 1.209 1.00 0.00 C ATOM 788 NZ LYS B 35 -7.520 -5.003 1.865 1.00 0.00 N ATOM 0 H LYS B 35 -5.177 -2.767 -3.193 1.00 0.00 H new ATOM 0 HA LYS B 35 -7.061 -1.128 -1.515 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.439 -2.679 -1.228 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.930 -1.534 0.005 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -7.173 -2.757 0.147 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -6.530 -3.962 -0.951 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -4.503 -4.057 0.779 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -5.651 -3.330 1.885 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -6.360 -5.833 0.267 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.593 -5.939 1.839 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -7.664 -5.652 2.665 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -7.516 -4.022 2.211 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -8.291 -5.124 1.177 1.00 0.00 H new ATOM 802 N ARG B 36 -4.646 0.046 -3.219 1.00 0.00 N ATOM 803 CA ARG B 36 -3.920 1.303 -3.553 1.00 0.00 C ATOM 804 C ARG B 36 -4.778 2.173 -4.475 1.00 0.00 C ATOM 805 O ARG B 36 -4.896 3.367 -4.284 1.00 0.00 O ATOM 806 CB ARG B 36 -2.649 0.848 -4.272 1.00 0.00 C ATOM 807 CG ARG B 36 -1.815 2.071 -4.659 1.00 0.00 C ATOM 808 CD ARG B 36 -0.544 1.615 -5.379 1.00 0.00 C ATOM 809 NE ARG B 36 -1.021 1.030 -6.664 1.00 0.00 N ATOM 810 CZ ARG B 36 -0.161 0.683 -7.582 1.00 0.00 C ATOM 811 NH1 ARG B 36 1.049 0.329 -7.243 1.00 0.00 N ATOM 812 NH2 ARG B 36 -0.510 0.690 -8.839 1.00 0.00 N ATOM 0 H ARG B 36 -4.563 -0.698 -3.912 1.00 0.00 H new ATOM 0 HA ARG B 36 -3.694 1.900 -2.669 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -2.069 0.189 -3.626 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -2.908 0.275 -5.162 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -2.395 2.730 -5.305 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -1.556 2.644 -3.769 1.00 0.00 H new ATOM 0 HD2 ARG B 36 0.133 2.451 -5.553 1.00 0.00 H new ATOM 0 HD3 ARG B 36 0.002 0.879 -4.789 1.00 0.00 H new ATOM 0 HE ARG B 36 -2.020 0.901 -6.826 1.00 0.00 H new ATOM 0 HH11 ARG B 36 1.322 0.324 -6.260 1.00 0.00 H new ATOM 0 HH12 ARG B 36 1.721 0.058 -7.961 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -1.455 0.967 -9.104 1.00 0.00 H new ATOM 0 HH22 ARG B 36 0.162 0.419 -9.556 1.00 0.00 H new ATOM 826 N ILE B 37 -5.380 1.583 -5.472 1.00 0.00 N ATOM 827 CA ILE B 37 -6.231 2.380 -6.399 1.00 0.00 C ATOM 828 C ILE B 37 -7.112 3.341 -5.598 1.00 0.00 C ATOM 829 O ILE B 37 -7.183 4.517 -5.885 1.00 0.00 O ATOM 830 CB ILE B 37 -7.089 1.353 -7.138 1.00 0.00 C ATOM 831 CG1 ILE B 37 -6.212 0.557 -8.110 1.00 0.00 C ATOM 832 CG2 ILE B 37 -8.188 2.076 -7.921 1.00 0.00 C ATOM 833 CD1 ILE B 37 -7.086 -0.418 -8.902 1.00 0.00 C ATOM 0 H ILE B 37 -5.319 0.587 -5.684 1.00 0.00 H new ATOM 0 HA ILE B 37 -5.641 2.983 -7.089 1.00 0.00 H new ATOM 0 HB ILE B 37 -7.542 0.673 -6.417 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -5.696 1.235 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -5.445 0.011 -7.561 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -8.800 1.345 -8.448 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -8.813 2.643 -7.231 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -7.734 2.756 -8.642 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -6.463 -0.985 -9.594 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -7.581 -1.104 -8.214 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -7.837 0.139 -9.462 1.00 0.00 H new ATOM 845 N ALA B 38 -7.782 2.848 -4.591 1.00 0.00 N ATOM 846 CA ALA B 38 -8.654 3.737 -3.770 1.00 0.00 C ATOM 847 C ALA B 38 -7.878 4.988 -3.349 1.00 0.00 C ATOM 848 O ALA B 38 -8.312 6.102 -3.561 1.00 0.00 O ATOM 849 CB ALA B 38 -9.032 2.903 -2.547 1.00 0.00 C ATOM 0 H ALA B 38 -7.763 1.870 -4.302 1.00 0.00 H new ATOM 0 HA ALA B 38 -9.534 4.076 -4.317 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -9.676 3.490 -1.891 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -9.562 2.006 -2.868 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -8.129 2.618 -2.008 1.00 0.00 H new ATOM 855 N TYR B 39 -6.730 4.809 -2.753 1.00 0.00 N ATOM 856 CA TYR B 39 -5.922 5.985 -2.318 1.00 0.00 C ATOM 857 C TYR B 39 -5.483 6.802 -3.535 1.00 0.00 C ATOM 858 O TYR B 39 -5.774 7.977 -3.647 1.00 0.00 O ATOM 859 CB TYR B 39 -4.705 5.387 -1.613 1.00 0.00 C ATOM 860 CG TYR B 39 -3.925 6.488 -0.936 1.00 0.00 C ATOM 861 CD1 TYR B 39 -4.273 6.900 0.356 1.00 0.00 C ATOM 862 CD2 TYR B 39 -2.854 7.097 -1.600 1.00 0.00 C ATOM 863 CE1 TYR B 39 -3.550 7.922 0.983 1.00 0.00 C ATOM 864 CE2 TYR B 39 -2.130 8.118 -0.974 1.00 0.00 C ATOM 865 CZ TYR B 39 -2.478 8.530 0.318 1.00 0.00 C ATOM 866 OH TYR B 39 -1.767 9.538 0.937 1.00 0.00 O ATOM 0 H TYR B 39 -6.317 3.899 -2.548 1.00 0.00 H new ATOM 0 HA TYR B 39 -6.484 6.656 -1.668 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -5.024 4.648 -0.878 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -4.072 4.868 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -5.099 6.430 0.869 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -2.586 6.779 -2.597 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -3.819 8.241 1.979 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -1.304 8.588 -1.487 1.00 0.00 H new ATOM 0 HH TYR B 39 -0.958 9.165 1.346 1.00 0.00 H new ATOM 876 N ALA B 40 -4.782 6.187 -4.445 1.00 0.00 N ATOM 877 CA ALA B 40 -4.317 6.922 -5.658 1.00 0.00 C ATOM 878 C ALA B 40 -5.513 7.440 -6.461 1.00 0.00 C ATOM 879 O ALA B 40 -5.398 8.374 -7.230 1.00 0.00 O ATOM 880 CB ALA B 40 -3.532 5.889 -6.467 1.00 0.00 C ATOM 0 H ALA B 40 -4.509 5.205 -4.403 1.00 0.00 H new ATOM 0 HA ALA B 40 -3.710 7.791 -5.406 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -3.154 6.352 -7.379 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -2.695 5.521 -5.873 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -4.186 5.057 -6.726 1.00 0.00 H new ATOM 886 N LEU B 41 -6.663 6.846 -6.289 1.00 0.00 N ATOM 887 CA LEU B 41 -7.863 7.310 -7.042 1.00 0.00 C ATOM 888 C LEU B 41 -8.647 8.320 -6.202 1.00 0.00 C ATOM 889 O LEU B 41 -9.211 9.266 -6.715 1.00 0.00 O ATOM 890 CB LEU B 41 -8.698 6.050 -7.282 1.00 0.00 C ATOM 891 CG LEU B 41 -9.997 6.427 -7.997 1.00 0.00 C ATOM 892 CD1 LEU B 41 -9.886 6.074 -9.481 1.00 0.00 C ATOM 893 CD2 LEU B 41 -11.163 5.656 -7.375 1.00 0.00 C ATOM 0 H LEU B 41 -6.823 6.060 -5.660 1.00 0.00 H new ATOM 0 HA LEU B 41 -7.599 7.804 -7.977 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -8.134 5.336 -7.882 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -8.921 5.562 -6.333 1.00 0.00 H new ATOM 0 HG LEU B 41 -10.171 7.498 -7.892 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -10.812 6.343 -9.989 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -9.056 6.624 -9.925 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -9.711 5.003 -9.588 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -12.089 5.924 -7.884 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -10.988 4.585 -7.480 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -11.244 5.909 -6.318 1.00 0.00 H new ATOM 905 N LYS B 42 -8.685 8.125 -4.912 1.00 0.00 N ATOM 906 CA LYS B 42 -9.429 9.073 -4.034 1.00 0.00 C ATOM 907 C LYS B 42 -8.594 10.331 -3.789 1.00 0.00 C ATOM 908 O LYS B 42 -9.119 11.400 -3.545 1.00 0.00 O ATOM 909 CB LYS B 42 -9.648 8.313 -2.726 1.00 0.00 C ATOM 910 CG LYS B 42 -10.732 7.253 -2.926 1.00 0.00 C ATOM 911 CD LYS B 42 -10.980 6.523 -1.604 1.00 0.00 C ATOM 912 CE LYS B 42 -12.078 5.474 -1.799 1.00 0.00 C ATOM 913 NZ LYS B 42 -12.385 4.984 -0.425 1.00 0.00 N ATOM 0 H LYS B 42 -8.233 7.350 -4.428 1.00 0.00 H new ATOM 0 HA LYS B 42 -10.370 9.397 -4.479 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -8.718 7.842 -2.407 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -9.942 9.004 -1.936 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -11.653 7.720 -3.274 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.425 6.543 -3.694 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -10.062 6.045 -1.262 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.275 7.235 -0.833 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.960 5.907 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.739 4.662 -2.442 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -13.130 4.260 -0.473 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -11.528 4.571 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -12.711 5.778 0.162 1.00 0.00 H new ATOM 927 N ASN B 43 -7.297 10.211 -3.852 1.00 0.00 N ATOM 928 CA ASN B 43 -6.425 11.398 -3.622 1.00 0.00 C ATOM 929 C ASN B 43 -5.845 11.892 -4.950 1.00 0.00 C ATOM 930 O ASN B 43 -5.267 11.137 -5.706 1.00 0.00 O ATOM 931 CB ASN B 43 -5.311 10.897 -2.702 1.00 0.00 C ATOM 932 CG ASN B 43 -5.889 10.605 -1.316 1.00 0.00 C ATOM 933 OD1 ASN B 43 -6.653 11.387 -0.786 1.00 0.00 O ATOM 934 ND2 ASN B 43 -5.552 9.504 -0.702 1.00 0.00 N ATOM 0 H ASN B 43 -6.802 9.342 -4.053 1.00 0.00 H new ATOM 0 HA ASN B 43 -6.970 12.234 -3.184 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.859 9.996 -3.117 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.521 11.645 -2.629 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -5.930 9.300 0.223 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -4.911 8.848 -1.147 1.00 0.00 H new ATOM 941 N GLY B 44 -5.996 13.156 -5.239 1.00 0.00 N ATOM 942 CA GLY B 44 -5.455 13.698 -6.516 1.00 0.00 C ATOM 943 C GLY B 44 -5.007 15.147 -6.306 1.00 0.00 C ATOM 944 O GLY B 44 -4.466 15.431 -5.250 1.00 0.00 O ATOM 945 OXT GLY B 44 -5.215 15.947 -7.204 1.00 0.00 O ATOM 0 H GLY B 44 -6.471 13.836 -4.645 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -4.615 13.092 -6.854 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -6.216 13.651 -7.295 1.00 0.00 H new TER 949 GLY B 44