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 -118:sc= -5.84! 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 180:sc= -0.0407 USER MOD Single : B 24 SER OG : rot -150:sc= -0.162 USER MOD Single : B 35 LYS NZ :NH3+ 137:sc= -0.137 (180deg=-0.237) USER MOD Single : B 39 TYR OH : rot 180:sc= 0 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -0.0612 X(o=-0.061,f=-7.3e-05) 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 0.797 2.801 -1.911 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 19.400 -14.530 -6.395 1.00 0.00 N ATOM 492 CA ASP B 19 19.893 -15.602 -5.482 1.00 0.00 C ATOM 493 C ASP B 19 18.950 -15.751 -4.285 1.00 0.00 C ATOM 494 O ASP B 19 18.471 -16.828 -3.990 1.00 0.00 O ATOM 495 CB ASP B 19 21.272 -15.127 -5.023 1.00 0.00 C ATOM 496 CG ASP B 19 22.261 -15.235 -6.187 1.00 0.00 C ATOM 497 OD1 ASP B 19 22.073 -16.105 -7.020 1.00 0.00 O ATOM 498 OD2 ASP B 19 23.189 -14.444 -6.223 1.00 0.00 O ATOM 0 HA ASP B 19 19.939 -16.574 -5.972 1.00 0.00 H new ATOM 0 HB2 ASP B 19 21.216 -14.096 -4.674 1.00 0.00 H new ATOM 0 HB3 ASP B 19 21.615 -15.730 -4.183 1.00 0.00 H new ATOM 505 N ARG B 20 18.679 -14.677 -3.595 1.00 0.00 N ATOM 506 CA ARG B 20 17.766 -14.757 -2.418 1.00 0.00 C ATOM 507 C ARG B 20 16.344 -15.097 -2.873 1.00 0.00 C ATOM 508 O ARG B 20 15.536 -15.581 -2.107 1.00 0.00 O ATOM 509 CB ARG B 20 17.809 -13.364 -1.788 1.00 0.00 C ATOM 510 CG ARG B 20 19.197 -13.114 -1.194 1.00 0.00 C ATOM 511 CD ARG B 20 19.176 -11.821 -0.375 1.00 0.00 C ATOM 512 NE ARG B 20 19.438 -10.739 -1.367 1.00 0.00 N ATOM 513 CZ ARG B 20 19.504 -9.495 -0.975 1.00 0.00 C ATOM 514 NH1 ARG B 20 19.754 -9.216 0.275 1.00 0.00 N ATOM 515 NH2 ARG B 20 19.322 -8.532 -1.836 1.00 0.00 N ATOM 0 H ARG B 20 19.050 -13.748 -3.795 1.00 0.00 H new ATOM 0 HA ARG B 20 18.067 -15.532 -1.714 1.00 0.00 H new ATOM 0 HB2 ARG B 20 17.581 -12.607 -2.538 1.00 0.00 H new ATOM 0 HB3 ARG B 20 17.049 -13.281 -1.011 1.00 0.00 H new ATOM 0 HG2 ARG B 20 19.490 -13.952 -0.562 1.00 0.00 H new ATOM 0 HG3 ARG B 20 19.937 -13.041 -1.991 1.00 0.00 H new ATOM 0 HD2 ARG B 20 18.214 -11.681 0.119 1.00 0.00 H new ATOM 0 HD3 ARG B 20 19.936 -11.835 0.406 1.00 0.00 H new ATOM 0 HE ARG B 20 19.566 -10.971 -2.352 1.00 0.00 H new ATOM 0 HH11 ARG B 20 19.898 -9.970 0.947 1.00 0.00 H new ATOM 0 HH12 ARG B 20 19.805 -8.244 0.580 1.00 0.00 H new ATOM 0 HH21 ARG B 20 19.129 -8.751 -2.813 1.00 0.00 H new ATOM 0 HH22 ARG B 20 19.373 -7.560 -1.532 1.00 0.00 H new ATOM 529 N GLY B 21 16.034 -14.844 -4.115 1.00 0.00 N ATOM 530 CA GLY B 21 14.666 -15.152 -4.619 1.00 0.00 C ATOM 531 C GLY B 21 13.709 -14.029 -4.212 1.00 0.00 C ATOM 532 O GLY B 21 14.125 -12.949 -3.844 1.00 0.00 O ATOM 0 H GLY B 21 16.669 -14.437 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.681 -15.256 -5.704 1.00 0.00 H new ATOM 0 HA3 GLY B 21 14.322 -16.103 -4.212 1.00 0.00 H new ATOM 536 N LEU B 22 12.429 -14.275 -4.278 1.00 0.00 N ATOM 537 CA LEU B 22 11.446 -13.221 -3.896 1.00 0.00 C ATOM 538 C LEU B 22 10.815 -13.551 -2.541 1.00 0.00 C ATOM 539 O LEU B 22 10.300 -14.632 -2.332 1.00 0.00 O ATOM 540 CB LEU B 22 10.390 -13.246 -5.002 1.00 0.00 C ATOM 541 CG LEU B 22 10.950 -12.573 -6.256 1.00 0.00 C ATOM 542 CD1 LEU B 22 11.804 -13.574 -7.037 1.00 0.00 C ATOM 543 CD2 LEU B 22 9.795 -12.093 -7.136 1.00 0.00 C ATOM 0 H LEU B 22 12.021 -15.160 -4.580 1.00 0.00 H new ATOM 0 HA LEU B 22 11.910 -12.239 -3.798 1.00 0.00 H new ATOM 0 HB2 LEU B 22 10.105 -14.274 -5.224 1.00 0.00 H new ATOM 0 HB3 LEU B 22 9.489 -12.730 -4.671 1.00 0.00 H new ATOM 0 HG LEU B 22 11.565 -11.721 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU B 22 12.202 -13.093 -7.930 1.00 0.00 H new ATOM 0 HD12 LEU B 22 12.628 -13.916 -6.411 1.00 0.00 H new ATOM 0 HD13 LEU B 22 11.191 -14.427 -7.327 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.194 -11.613 -8.030 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.180 -12.945 -7.425 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.187 -11.378 -6.581 1.00 0.00 H new ATOM 555 N THR B 23 10.849 -12.628 -1.620 1.00 0.00 N ATOM 556 CA THR B 23 10.251 -12.891 -0.279 1.00 0.00 C ATOM 557 C THR B 23 8.733 -12.702 -0.332 1.00 0.00 C ATOM 558 O THR B 23 8.180 -12.316 -1.343 1.00 0.00 O ATOM 559 CB THR B 23 10.887 -11.855 0.648 1.00 0.00 C ATOM 560 OG1 THR B 23 10.365 -10.568 0.348 1.00 0.00 O ATOM 561 CG2 THR B 23 12.404 -11.850 0.449 1.00 0.00 C ATOM 0 H THR B 23 11.264 -11.704 -1.737 1.00 0.00 H new ATOM 0 HA THR B 23 10.433 -13.910 0.062 1.00 0.00 H new ATOM 0 HB THR B 23 10.660 -12.108 1.684 1.00 0.00 H new ATOM 0 HG1 THR B 23 10.771 -9.904 0.943 1.00 0.00 H new ATOM 0 HG21 THR B 23 12.855 -11.111 1.111 1.00 0.00 H new ATOM 0 HG22 THR B 23 12.805 -12.837 0.681 1.00 0.00 H new ATOM 0 HG23 THR B 23 12.634 -11.599 -0.586 1.00 0.00 H new ATOM 569 N SER B 24 8.052 -12.971 0.748 1.00 0.00 N ATOM 570 CA SER B 24 6.570 -12.806 0.756 1.00 0.00 C ATOM 571 C SER B 24 6.203 -11.359 0.423 1.00 0.00 C ATOM 572 O SER B 24 5.114 -11.073 -0.031 1.00 0.00 O ATOM 573 CB SER B 24 6.138 -13.156 2.179 1.00 0.00 C ATOM 574 OG SER B 24 6.632 -12.176 3.080 1.00 0.00 O ATOM 0 H SER B 24 8.457 -13.298 1.625 1.00 0.00 H new ATOM 0 HA SER B 24 6.078 -13.439 0.017 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.051 -13.204 2.238 1.00 0.00 H new ATOM 0 HB3 SER B 24 6.516 -14.141 2.453 1.00 0.00 H new ATOM 0 HG SER B 24 6.797 -12.588 3.954 1.00 0.00 H new ATOM 580 N ARG B 25 7.107 -10.444 0.643 1.00 0.00 N ATOM 581 CA ARG B 25 6.809 -9.017 0.337 1.00 0.00 C ATOM 582 C ARG B 25 6.551 -8.846 -1.161 1.00 0.00 C ATOM 583 O ARG B 25 5.695 -8.087 -1.569 1.00 0.00 O ATOM 584 CB ARG B 25 8.064 -8.250 0.756 1.00 0.00 C ATOM 585 CG ARG B 25 7.811 -6.747 0.620 1.00 0.00 C ATOM 586 CD ARG B 25 9.083 -5.979 0.984 1.00 0.00 C ATOM 587 NE ARG B 25 8.715 -4.543 0.840 1.00 0.00 N ATOM 588 CZ ARG B 25 9.631 -3.620 0.952 1.00 0.00 C ATOM 589 NH1 ARG B 25 10.258 -3.192 -0.110 1.00 0.00 N ATOM 590 NH2 ARG B 25 9.920 -3.125 2.125 1.00 0.00 N ATOM 0 H ARG B 25 8.037 -10.623 1.021 1.00 0.00 H new ATOM 0 HA ARG B 25 5.921 -8.658 0.858 1.00 0.00 H new ATOM 0 HB2 ARG B 25 8.326 -8.494 1.786 1.00 0.00 H new ATOM 0 HB3 ARG B 25 8.909 -8.545 0.134 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.510 -6.509 -0.400 1.00 0.00 H new ATOM 0 HG3 ARG B 25 6.992 -6.445 1.273 1.00 0.00 H new ATOM 0 HD2 ARG B 25 9.404 -6.205 2.001 1.00 0.00 H new ATOM 0 HD3 ARG B 25 9.908 -6.244 0.323 1.00 0.00 H new ATOM 0 HE ARG B 25 7.747 -4.281 0.654 1.00 0.00 H new ATOM 0 HH11 ARG B 25 10.032 -3.579 -1.026 1.00 0.00 H new ATOM 0 HH12 ARG B 25 10.974 -2.471 -0.023 1.00 0.00 H new ATOM 0 HH21 ARG B 25 9.430 -3.460 2.955 1.00 0.00 H new ATOM 0 HH22 ARG B 25 10.636 -2.404 2.212 1.00 0.00 H new ATOM 604 N ASP B 26 7.284 -9.546 -1.983 1.00 0.00 N ATOM 605 CA ASP B 26 7.078 -9.424 -3.455 1.00 0.00 C ATOM 606 C ASP B 26 5.613 -9.693 -3.807 1.00 0.00 C ATOM 607 O ASP B 26 4.924 -8.842 -4.335 1.00 0.00 O ATOM 608 CB ASP B 26 7.985 -10.489 -4.072 1.00 0.00 C ATOM 609 CG ASP B 26 9.433 -9.995 -4.061 1.00 0.00 C ATOM 610 OD1 ASP B 26 9.627 -8.793 -3.977 1.00 0.00 O ATOM 611 OD2 ASP B 26 10.323 -10.825 -4.136 1.00 0.00 O ATOM 0 H ASP B 26 8.016 -10.197 -1.700 1.00 0.00 H new ATOM 0 HA ASP B 26 7.314 -8.426 -3.825 1.00 0.00 H new ATOM 0 HB2 ASP B 26 7.903 -11.420 -3.512 1.00 0.00 H new ATOM 0 HB3 ASP B 26 7.670 -10.703 -5.093 1.00 0.00 H new ATOM 616 N ARG B 27 5.129 -10.870 -3.517 1.00 0.00 N ATOM 617 CA ARG B 27 3.707 -11.190 -3.833 1.00 0.00 C ATOM 618 C ARG B 27 2.788 -10.093 -3.293 1.00 0.00 C ATOM 619 O ARG B 27 1.974 -9.545 -4.010 1.00 0.00 O ATOM 620 CB ARG B 27 3.435 -12.520 -3.128 1.00 0.00 C ATOM 621 CG ARG B 27 4.263 -13.625 -3.787 1.00 0.00 C ATOM 622 CD ARG B 27 4.025 -14.946 -3.056 1.00 0.00 C ATOM 623 NE ARG B 27 5.078 -15.864 -3.575 1.00 0.00 N ATOM 624 CZ ARG B 27 4.860 -17.150 -3.616 1.00 0.00 C ATOM 625 NH1 ARG B 27 3.825 -17.617 -4.259 1.00 0.00 N ATOM 626 NH2 ARG B 27 5.677 -17.970 -3.015 1.00 0.00 N ATOM 0 H ARG B 27 5.656 -11.623 -3.075 1.00 0.00 H new ATOM 0 HA ARG B 27 3.524 -11.255 -4.906 1.00 0.00 H new ATOM 0 HB2 ARG B 27 3.689 -12.442 -2.071 1.00 0.00 H new ATOM 0 HB3 ARG B 27 2.374 -12.763 -3.184 1.00 0.00 H new ATOM 0 HG2 ARG B 27 3.987 -13.723 -4.837 1.00 0.00 H new ATOM 0 HG3 ARG B 27 5.322 -13.367 -3.758 1.00 0.00 H new ATOM 0 HD2 ARG B 27 4.107 -14.821 -1.976 1.00 0.00 H new ATOM 0 HD3 ARG B 27 3.027 -15.335 -3.257 1.00 0.00 H new ATOM 0 HE ARG B 27 5.969 -15.487 -3.898 1.00 0.00 H new ATOM 0 HH11 ARG B 27 3.186 -16.977 -4.730 1.00 0.00 H new ATOM 0 HH12 ARG B 27 3.655 -18.622 -4.291 1.00 0.00 H new ATOM 0 HH21 ARG B 27 6.487 -17.606 -2.513 1.00 0.00 H new ATOM 0 HH22 ARG B 27 5.506 -18.975 -3.047 1.00 0.00 H new ATOM 640 N ARG B 28 2.912 -9.759 -2.036 1.00 0.00 N ATOM 641 CA ARG B 28 2.043 -8.690 -1.468 1.00 0.00 C ATOM 642 C ARG B 28 2.395 -7.344 -2.102 1.00 0.00 C ATOM 643 O ARG B 28 1.547 -6.493 -2.286 1.00 0.00 O ATOM 644 CB ARG B 28 2.344 -8.670 0.031 1.00 0.00 C ATOM 645 CG ARG B 28 1.191 -7.978 0.766 1.00 0.00 C ATOM 646 CD ARG B 28 1.633 -7.608 2.186 1.00 0.00 C ATOM 647 NE ARG B 28 0.996 -6.286 2.453 1.00 0.00 N ATOM 648 CZ ARG B 28 -0.248 -6.225 2.841 1.00 0.00 C ATOM 649 NH1 ARG B 28 -1.032 -7.256 2.686 1.00 0.00 N ATOM 650 NH2 ARG B 28 -0.710 -5.130 3.383 1.00 0.00 N ATOM 0 H ARG B 28 3.573 -10.178 -1.382 1.00 0.00 H new ATOM 0 HA ARG B 28 0.986 -8.874 -1.661 1.00 0.00 H new ATOM 0 HB2 ARG B 28 2.470 -9.687 0.403 1.00 0.00 H new ATOM 0 HB3 ARG B 28 3.280 -8.144 0.219 1.00 0.00 H new ATOM 0 HG2 ARG B 28 0.887 -7.082 0.224 1.00 0.00 H new ATOM 0 HG3 ARG B 28 0.324 -8.637 0.805 1.00 0.00 H new ATOM 0 HD2 ARG B 28 1.308 -8.356 2.909 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.719 -7.545 2.258 1.00 0.00 H new ATOM 0 HE ARG B 28 1.534 -5.428 2.332 1.00 0.00 H new ATOM 0 HH11 ARG B 28 -0.672 -8.111 2.261 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -2.005 -7.207 2.990 1.00 0.00 H new ATOM 0 HH21 ARG B 28 -0.098 -4.323 3.503 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -1.683 -5.082 3.686 1.00 0.00 H new ATOM 664 N ARG B 29 3.639 -7.145 -2.445 1.00 0.00 N ATOM 665 CA ARG B 29 4.035 -5.854 -3.072 1.00 0.00 C ATOM 666 C ARG B 29 3.081 -5.529 -4.222 1.00 0.00 C ATOM 667 O ARG B 29 2.684 -4.397 -4.411 1.00 0.00 O ATOM 668 CB ARG B 29 5.454 -6.074 -3.598 1.00 0.00 C ATOM 669 CG ARG B 29 6.004 -4.750 -4.133 1.00 0.00 C ATOM 670 CD ARG B 29 7.381 -4.983 -4.759 1.00 0.00 C ATOM 671 NE ARG B 29 7.766 -3.660 -5.327 1.00 0.00 N ATOM 672 CZ ARG B 29 8.989 -3.453 -5.731 1.00 0.00 C ATOM 673 NH1 ARG B 29 9.734 -2.568 -5.128 1.00 0.00 N ATOM 674 NH2 ARG B 29 9.468 -4.131 -6.739 1.00 0.00 N ATOM 0 H ARG B 29 4.395 -7.818 -2.318 1.00 0.00 H new ATOM 0 HA ARG B 29 3.995 -5.022 -2.369 1.00 0.00 H new ATOM 0 HB2 ARG B 29 6.095 -6.453 -2.802 1.00 0.00 H new ATOM 0 HB3 ARG B 29 5.449 -6.825 -4.388 1.00 0.00 H new ATOM 0 HG2 ARG B 29 5.322 -4.334 -4.874 1.00 0.00 H new ATOM 0 HG3 ARG B 29 6.079 -4.022 -3.325 1.00 0.00 H new ATOM 0 HD2 ARG B 29 8.103 -5.320 -4.015 1.00 0.00 H new ATOM 0 HD3 ARG B 29 7.340 -5.750 -5.533 1.00 0.00 H new ATOM 0 HE ARG B 29 7.072 -2.916 -5.400 1.00 0.00 H new ATOM 0 HH11 ARG B 29 9.360 -2.038 -4.341 1.00 0.00 H new ATOM 0 HH12 ARG B 29 10.690 -2.406 -5.444 1.00 0.00 H new ATOM 0 HH21 ARG B 29 8.886 -4.823 -7.211 1.00 0.00 H new ATOM 0 HH22 ARG B 29 10.424 -3.969 -7.054 1.00 0.00 H new ATOM 688 N ILE B 30 2.707 -6.518 -4.990 1.00 0.00 N ATOM 689 CA ILE B 30 1.773 -6.260 -6.120 1.00 0.00 C ATOM 690 C ILE B 30 0.357 -6.046 -5.587 1.00 0.00 C ATOM 691 O ILE B 30 -0.349 -5.165 -6.025 1.00 0.00 O ATOM 692 CB ILE B 30 1.830 -7.509 -6.996 1.00 0.00 C ATOM 693 CG1 ILE B 30 3.239 -7.669 -7.571 1.00 0.00 C ATOM 694 CG2 ILE B 30 0.824 -7.361 -8.139 1.00 0.00 C ATOM 695 CD1 ILE B 30 3.466 -9.131 -7.964 1.00 0.00 C ATOM 0 H ILE B 30 3.007 -7.487 -4.883 1.00 0.00 H new ATOM 0 HA ILE B 30 2.048 -5.366 -6.681 1.00 0.00 H new ATOM 0 HB ILE B 30 1.585 -8.388 -6.400 1.00 0.00 H new ATOM 0 HG12 ILE B 30 3.364 -7.024 -8.441 1.00 0.00 H new ATOM 0 HG13 ILE B 30 3.981 -7.360 -6.835 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.858 -8.249 -8.770 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.179 -7.246 -7.728 1.00 0.00 H new ATOM 0 HG23 ILE B 30 1.076 -6.483 -8.734 1.00 0.00 H new ATOM 0 HD11 ILE B 30 4.469 -9.246 -8.374 1.00 0.00 H new ATOM 0 HD12 ILE B 30 3.358 -9.765 -7.084 1.00 0.00 H new ATOM 0 HD13 ILE B 30 2.732 -9.424 -8.714 1.00 0.00 H new ATOM 707 N ALA B 31 -0.067 -6.835 -4.637 1.00 0.00 N ATOM 708 CA ALA B 31 -1.439 -6.641 -4.085 1.00 0.00 C ATOM 709 C ALA B 31 -1.651 -5.156 -3.803 1.00 0.00 C ATOM 710 O ALA B 31 -2.753 -4.648 -3.869 1.00 0.00 O ATOM 711 CB ALA B 31 -1.469 -7.451 -2.788 1.00 0.00 C ATOM 0 H ALA B 31 0.470 -7.597 -4.223 1.00 0.00 H new ATOM 0 HA ALA B 31 -2.224 -6.964 -4.768 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -2.450 -7.357 -2.323 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -1.272 -8.500 -3.009 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -0.707 -7.074 -2.106 1.00 0.00 H new ATOM 717 N ARG B 32 -0.592 -4.453 -3.508 1.00 0.00 N ATOM 718 CA ARG B 32 -0.716 -2.994 -3.244 1.00 0.00 C ATOM 719 C ARG B 32 -1.191 -2.305 -4.523 1.00 0.00 C ATOM 720 O ARG B 32 -1.906 -1.324 -4.491 1.00 0.00 O ATOM 721 CB ARG B 32 0.694 -2.538 -2.861 1.00 0.00 C ATOM 722 CG ARG B 32 1.298 -3.539 -1.872 1.00 0.00 C ATOM 723 CD ARG B 32 2.386 -2.854 -1.047 1.00 0.00 C ATOM 724 NE ARG B 32 2.467 -3.649 0.211 1.00 0.00 N ATOM 725 CZ ARG B 32 3.542 -4.337 0.477 1.00 0.00 C ATOM 726 NH1 ARG B 32 4.701 -3.742 0.529 1.00 0.00 N ATOM 727 NH2 ARG B 32 3.458 -5.623 0.690 1.00 0.00 N ATOM 0 H ARG B 32 0.354 -4.828 -3.439 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.431 -2.755 -2.457 1.00 0.00 H new ATOM 0 HB2 ARG B 32 1.320 -2.466 -3.751 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.659 -1.544 -2.415 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.521 -3.929 -1.215 1.00 0.00 H new ATOM 0 HG3 ARG B 32 1.717 -4.389 -2.410 1.00 0.00 H new ATOM 0 HD2 ARG B 32 3.340 -2.851 -1.575 1.00 0.00 H new ATOM 0 HD3 ARG B 32 2.131 -1.814 -0.842 1.00 0.00 H new ATOM 0 HE ARG B 32 1.683 -3.655 0.863 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.767 -2.738 0.362 1.00 0.00 H new ATOM 0 HH12 ARG B 32 5.542 -4.281 0.737 1.00 0.00 H new ATOM 0 HH21 ARG B 32 2.551 -6.089 0.648 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.299 -6.161 0.898 1.00 0.00 H new ATOM 741 N TRP B 33 -0.818 -2.843 -5.654 1.00 0.00 N ATOM 742 CA TRP B 33 -1.262 -2.260 -6.949 1.00 0.00 C ATOM 743 C TRP B 33 -2.775 -2.068 -6.914 1.00 0.00 C ATOM 744 O TRP B 33 -3.336 -1.269 -7.636 1.00 0.00 O ATOM 745 CB TRP B 33 -0.887 -3.310 -8.000 1.00 0.00 C ATOM 746 CG TRP B 33 -1.528 -2.965 -9.304 1.00 0.00 C ATOM 747 CD1 TRP B 33 -1.200 -1.899 -10.057 1.00 0.00 C ATOM 748 CD2 TRP B 33 -2.589 -3.663 -10.020 1.00 0.00 C ATOM 749 NE1 TRP B 33 -1.992 -1.886 -11.190 1.00 0.00 N ATOM 750 CE2 TRP B 33 -2.865 -2.955 -11.213 1.00 0.00 C ATOM 751 CE3 TRP B 33 -3.332 -4.827 -9.753 1.00 0.00 C ATOM 752 CZ2 TRP B 33 -3.844 -3.385 -12.110 1.00 0.00 C ATOM 753 CZ3 TRP B 33 -4.318 -5.264 -10.655 1.00 0.00 C ATOM 754 CH2 TRP B 33 -4.573 -4.543 -11.830 1.00 0.00 C ATOM 0 H TRP B 33 -0.221 -3.666 -5.734 1.00 0.00 H new ATOM 0 HA TRP B 33 -0.806 -1.293 -7.160 1.00 0.00 H new ATOM 0 HB2 TRP B 33 0.196 -3.353 -8.116 1.00 0.00 H new ATOM 0 HB3 TRP B 33 -1.212 -4.298 -7.674 1.00 0.00 H new ATOM 0 HD1 TRP B 33 -0.440 -1.171 -9.815 1.00 0.00 H new ATOM 0 HE1 TRP B 33 -1.938 -1.174 -11.919 1.00 0.00 H new ATOM 0 HE3 TRP B 33 -3.144 -5.388 -8.850 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 -4.036 -2.826 -13.014 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 -4.882 -6.160 -10.442 1.00 0.00 H new ATOM 0 HH2 TRP B 33 -5.333 -4.883 -12.518 1.00 0.00 H new ATOM 765 N GLU B 34 -3.434 -2.811 -6.072 1.00 0.00 N ATOM 766 CA GLU B 34 -4.912 -2.705 -5.966 1.00 0.00 C ATOM 767 C GLU B 34 -5.290 -1.957 -4.684 1.00 0.00 C ATOM 768 O GLU B 34 -6.403 -1.495 -4.528 1.00 0.00 O ATOM 769 CB GLU B 34 -5.381 -4.155 -5.928 1.00 0.00 C ATOM 770 CG GLU B 34 -4.911 -4.855 -7.205 1.00 0.00 C ATOM 771 CD GLU B 34 -4.667 -6.337 -6.915 1.00 0.00 C ATOM 772 OE1 GLU B 34 -5.287 -6.852 -5.998 1.00 0.00 O ATOM 773 OE2 GLU B 34 -3.866 -6.933 -7.615 1.00 0.00 O ATOM 0 H GLU B 34 -3.006 -3.494 -5.447 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.369 -2.151 -6.786 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.978 -4.660 -5.050 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -6.467 -4.199 -5.851 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.660 -4.746 -7.989 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -3.996 -4.390 -7.572 1.00 0.00 H new ATOM 780 N LYS B 35 -4.363 -1.821 -3.774 1.00 0.00 N ATOM 781 CA LYS B 35 -4.658 -1.085 -2.511 1.00 0.00 C ATOM 782 C LYS B 35 -4.255 0.382 -2.674 1.00 0.00 C ATOM 783 O LYS B 35 -4.860 1.274 -2.114 1.00 0.00 O ATOM 784 CB LYS B 35 -3.800 -1.761 -1.440 1.00 0.00 C ATOM 785 CG LYS B 35 -4.135 -3.252 -1.378 1.00 0.00 C ATOM 786 CD LYS B 35 -3.307 -3.915 -0.276 1.00 0.00 C ATOM 787 CE LYS B 35 -4.013 -5.186 0.200 1.00 0.00 C ATOM 788 NZ LYS B 35 -3.137 -5.726 1.280 1.00 0.00 N ATOM 0 H LYS B 35 -3.414 -2.188 -3.851 1.00 0.00 H new ATOM 0 HA LYS B 35 -5.716 -1.109 -2.249 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.743 -1.625 -1.668 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -3.979 -1.297 -0.470 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.198 -3.389 -1.181 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -3.926 -3.723 -2.338 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -2.312 -4.157 -0.650 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -3.175 -3.226 0.558 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -5.013 -4.967 0.574 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -4.127 -5.903 -0.613 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -3.724 -6.042 2.078 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -2.590 -6.531 0.913 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -2.485 -4.982 1.603 1.00 0.00 H new ATOM 802 N ARG B 36 -3.234 0.634 -3.449 1.00 0.00 N ATOM 803 CA ARG B 36 -2.783 2.037 -3.668 1.00 0.00 C ATOM 804 C ARG B 36 -3.764 2.755 -4.598 1.00 0.00 C ATOM 805 O ARG B 36 -4.193 3.861 -4.331 1.00 0.00 O ATOM 806 CB ARG B 36 -1.404 1.904 -4.324 1.00 0.00 C ATOM 807 CG ARG B 36 -1.052 3.193 -5.073 1.00 0.00 C ATOM 808 CD ARG B 36 -0.845 4.329 -4.071 1.00 0.00 C ATOM 809 NE ARG B 36 0.549 4.151 -3.576 1.00 0.00 N ATOM 810 CZ ARG B 36 1.172 5.140 -2.995 1.00 0.00 C ATOM 811 NH1 ARG B 36 0.594 6.307 -2.885 1.00 0.00 N ATOM 812 NH2 ARG B 36 2.376 4.964 -2.523 1.00 0.00 N ATOM 0 H ARG B 36 -2.691 -0.076 -3.941 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.737 2.617 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -0.650 1.698 -3.565 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -1.401 1.060 -5.014 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -0.148 3.047 -5.664 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -1.850 3.450 -5.770 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -0.975 5.302 -4.544 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -1.565 4.272 -3.255 1.00 0.00 H new ATOM 0 HE ARG B 36 1.018 3.253 -3.692 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -0.347 6.447 -3.254 1.00 0.00 H new ATOM 0 HH12 ARG B 36 1.084 7.078 -2.430 1.00 0.00 H new ATOM 0 HH21 ARG B 36 2.829 4.054 -2.608 1.00 0.00 H new ATOM 0 HH22 ARG B 36 2.864 5.736 -2.069 1.00 0.00 H new ATOM 826 N ILE B 37 -4.125 2.131 -5.687 1.00 0.00 N ATOM 827 CA ILE B 37 -5.080 2.773 -6.633 1.00 0.00 C ATOM 828 C ILE B 37 -6.220 3.436 -5.856 1.00 0.00 C ATOM 829 O ILE B 37 -6.445 4.625 -5.959 1.00 0.00 O ATOM 830 CB ILE B 37 -5.616 1.630 -7.495 1.00 0.00 C ATOM 831 CG1 ILE B 37 -4.538 1.191 -8.490 1.00 0.00 C ATOM 832 CG2 ILE B 37 -6.854 2.105 -8.257 1.00 0.00 C ATOM 833 CD1 ILE B 37 -5.114 0.132 -9.433 1.00 0.00 C ATOM 0 H ILE B 37 -3.799 1.204 -5.962 1.00 0.00 H new ATOM 0 HA ILE B 37 -4.607 3.549 -7.235 1.00 0.00 H new ATOM 0 HB ILE B 37 -5.884 0.788 -6.857 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -4.185 2.049 -9.062 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -3.677 0.788 -7.956 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -7.237 1.291 -8.872 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -7.621 2.416 -7.548 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -6.587 2.947 -8.895 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -4.347 -0.180 -10.141 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -5.445 -0.730 -8.853 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -5.961 0.551 -9.977 1.00 0.00 H new ATOM 845 N ALA B 38 -6.938 2.676 -5.075 1.00 0.00 N ATOM 846 CA ALA B 38 -8.056 3.268 -4.289 1.00 0.00 C ATOM 847 C ALA B 38 -7.585 4.555 -3.609 1.00 0.00 C ATOM 848 O ALA B 38 -8.273 5.557 -3.607 1.00 0.00 O ATOM 849 CB ALA B 38 -8.416 2.207 -3.248 1.00 0.00 C ATOM 0 H ALA B 38 -6.799 1.674 -4.948 1.00 0.00 H new ATOM 0 HA ALA B 38 -8.913 3.528 -4.911 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -9.235 2.570 -2.627 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -8.722 1.291 -3.753 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -7.548 2.003 -2.621 1.00 0.00 H new ATOM 855 N TYR B 39 -6.413 4.534 -3.035 1.00 0.00 N ATOM 856 CA TYR B 39 -5.888 5.756 -2.359 1.00 0.00 C ATOM 857 C TYR B 39 -5.546 6.823 -3.402 1.00 0.00 C ATOM 858 O TYR B 39 -6.143 7.880 -3.443 1.00 0.00 O ATOM 859 CB TYR B 39 -4.626 5.293 -1.633 1.00 0.00 C ATOM 860 CG TYR B 39 -4.100 6.412 -0.766 1.00 0.00 C ATOM 861 CD1 TYR B 39 -4.726 6.709 0.451 1.00 0.00 C ATOM 862 CD2 TYR B 39 -2.985 7.154 -1.179 1.00 0.00 C ATOM 863 CE1 TYR B 39 -4.238 7.745 1.254 1.00 0.00 C ATOM 864 CE2 TYR B 39 -2.498 8.191 -0.375 1.00 0.00 C ATOM 865 CZ TYR B 39 -3.124 8.486 0.842 1.00 0.00 C ATOM 866 OH TYR B 39 -2.644 9.508 1.635 1.00 0.00 O ATOM 0 H TYR B 39 -5.795 3.723 -3.005 1.00 0.00 H new ATOM 0 HA TYR B 39 -6.612 6.197 -1.674 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -4.847 4.418 -1.021 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -3.868 4.993 -2.356 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -5.586 6.138 0.770 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -2.502 6.926 -2.117 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -4.721 7.973 2.193 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -1.639 8.764 -0.693 1.00 0.00 H new ATOM 0 HH TYR B 39 -1.866 9.919 1.203 1.00 0.00 H new ATOM 876 N ALA B 40 -4.589 6.552 -4.249 1.00 0.00 N ATOM 877 CA ALA B 40 -4.211 7.549 -5.291 1.00 0.00 C ATOM 878 C ALA B 40 -5.428 7.889 -6.155 1.00 0.00 C ATOM 879 O ALA B 40 -5.467 8.908 -6.817 1.00 0.00 O ATOM 880 CB ALA B 40 -3.138 6.857 -6.130 1.00 0.00 C ATOM 0 H ALA B 40 -4.053 5.684 -4.264 1.00 0.00 H new ATOM 0 HA ALA B 40 -3.851 8.483 -4.860 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -2.806 7.528 -6.922 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -2.291 6.598 -5.495 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -3.551 5.950 -6.572 1.00 0.00 H new ATOM 886 N LEU B 41 -6.421 7.043 -6.153 1.00 0.00 N ATOM 887 CA LEU B 41 -7.634 7.313 -6.973 1.00 0.00 C ATOM 888 C LEU B 41 -8.689 8.034 -6.129 1.00 0.00 C ATOM 889 O LEU B 41 -9.490 8.794 -6.635 1.00 0.00 O ATOM 890 CB LEU B 41 -8.138 5.934 -7.401 1.00 0.00 C ATOM 891 CG LEU B 41 -9.256 6.096 -8.434 1.00 0.00 C ATOM 892 CD1 LEU B 41 -10.515 6.626 -7.744 1.00 0.00 C ATOM 893 CD2 LEU B 41 -8.812 7.082 -9.516 1.00 0.00 C ATOM 0 H LEU B 41 -6.444 6.175 -5.618 1.00 0.00 H new ATOM 0 HA LEU B 41 -7.421 7.952 -7.830 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -7.320 5.351 -7.824 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -8.506 5.385 -6.534 1.00 0.00 H new ATOM 0 HG LEU B 41 -9.472 5.130 -8.891 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -11.311 6.742 -8.479 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -10.831 5.923 -6.974 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -10.300 7.592 -7.287 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -9.608 7.198 -10.252 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -8.595 8.048 -9.061 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -7.916 6.704 -10.008 1.00 0.00 H new ATOM 905 N LYS B 42 -8.691 7.803 -4.845 1.00 0.00 N ATOM 906 CA LYS B 42 -9.692 8.478 -3.969 1.00 0.00 C ATOM 907 C LYS B 42 -9.095 9.754 -3.370 1.00 0.00 C ATOM 908 O LYS B 42 -9.786 10.550 -2.764 1.00 0.00 O ATOM 909 CB LYS B 42 -10.002 7.465 -2.865 1.00 0.00 C ATOM 910 CG LYS B 42 -10.789 6.292 -3.454 1.00 0.00 C ATOM 911 CD LYS B 42 -10.942 5.199 -2.394 1.00 0.00 C ATOM 912 CE LYS B 42 -11.825 4.077 -2.943 1.00 0.00 C ATOM 913 NZ LYS B 42 -12.066 3.178 -1.779 1.00 0.00 N ATOM 0 H LYS B 42 -8.044 7.177 -4.364 1.00 0.00 H new ATOM 0 HA LYS B 42 -10.587 8.771 -4.517 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -9.076 7.106 -2.416 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -10.578 7.941 -2.071 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -11.770 6.629 -3.788 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.273 5.896 -4.329 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -9.964 4.805 -2.119 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.384 5.615 -1.489 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.761 4.469 -3.341 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -11.330 3.547 -3.757 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.666 2.381 -2.074 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -11.157 2.816 -1.426 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -12.544 3.709 -1.023 1.00 0.00 H new ATOM 927 N ASN B 43 -7.816 9.955 -3.537 1.00 0.00 N ATOM 928 CA ASN B 43 -7.175 11.180 -2.978 1.00 0.00 C ATOM 929 C ASN B 43 -6.469 11.961 -4.091 1.00 0.00 C ATOM 930 O ASN B 43 -5.837 11.391 -4.958 1.00 0.00 O ATOM 931 CB ASN B 43 -6.159 10.663 -1.959 1.00 0.00 C ATOM 932 CG ASN B 43 -6.892 10.215 -0.692 1.00 0.00 C ATOM 933 OD1 ASN B 43 -7.527 11.011 -0.031 1.00 0.00 O ATOM 934 ND2 ASN B 43 -6.830 8.965 -0.325 1.00 0.00 N ATOM 0 H ASN B 43 -7.188 9.325 -4.036 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.899 11.857 -2.525 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -5.596 9.830 -2.381 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -5.439 11.445 -1.718 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -7.315 8.656 0.517 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.296 8.296 -0.880 1.00 0.00 H new ATOM 941 N GLY B 44 -6.574 13.262 -4.072 1.00 0.00 N ATOM 942 CA GLY B 44 -5.911 14.078 -5.128 1.00 0.00 C ATOM 943 C GLY B 44 -6.720 15.353 -5.369 1.00 0.00 C ATOM 944 O GLY B 44 -7.901 15.238 -5.655 1.00 0.00 O ATOM 945 OXT GLY B 44 -6.146 16.425 -5.265 1.00 0.00 O ATOM 0 H GLY B 44 -7.090 13.794 -3.371 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -4.895 14.331 -4.823 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -5.833 13.504 -6.051 1.00 0.00 H new TER 949 GLY B 44