USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=19 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= -1.07 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 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot -84:sc= 0.684 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= 0.0409 X(o=0.041,f=-0.055) 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 17.105 -18.910 -1.720 1.00 0.00 N ATOM 492 CA ASP B 19 17.596 -18.048 -2.835 1.00 0.00 C ATOM 493 C ASP B 19 16.486 -17.840 -3.870 1.00 0.00 C ATOM 494 O ASP B 19 16.730 -17.826 -5.060 1.00 0.00 O ATOM 495 CB ASP B 19 18.763 -18.821 -3.447 1.00 0.00 C ATOM 496 CG ASP B 19 18.262 -20.166 -3.978 1.00 0.00 C ATOM 497 OD1 ASP B 19 17.080 -20.432 -3.839 1.00 0.00 O ATOM 498 OD2 ASP B 19 19.069 -20.907 -4.515 1.00 0.00 O ATOM 0 HA ASP B 19 17.898 -17.059 -2.491 1.00 0.00 H new ATOM 0 HB2 ASP B 19 19.212 -18.243 -4.255 1.00 0.00 H new ATOM 0 HB3 ASP B 19 19.540 -18.980 -2.699 1.00 0.00 H new ATOM 505 N ARG B 20 15.271 -17.679 -3.426 1.00 0.00 N ATOM 506 CA ARG B 20 14.146 -17.472 -4.385 1.00 0.00 C ATOM 507 C ARG B 20 14.270 -16.102 -5.056 1.00 0.00 C ATOM 508 O ARG B 20 14.716 -15.144 -4.456 1.00 0.00 O ATOM 509 CB ARG B 20 12.880 -17.540 -3.533 1.00 0.00 C ATOM 510 CG ARG B 20 12.788 -18.916 -2.867 1.00 0.00 C ATOM 511 CD ARG B 20 11.478 -19.015 -2.082 1.00 0.00 C ATOM 512 NE ARG B 20 11.468 -20.400 -1.532 1.00 0.00 N ATOM 513 CZ ARG B 20 10.423 -20.837 -0.885 1.00 0.00 C ATOM 514 NH1 ARG B 20 9.519 -21.546 -1.507 1.00 0.00 N ATOM 515 NH2 ARG B 20 10.280 -20.568 0.383 1.00 0.00 N ATOM 0 H ARG B 20 15.006 -17.682 -2.441 1.00 0.00 H new ATOM 0 HA ARG B 20 14.140 -18.216 -5.181 1.00 0.00 H new ATOM 0 HB2 ARG B 20 12.896 -16.757 -2.775 1.00 0.00 H new ATOM 0 HB3 ARG B 20 12.001 -17.365 -4.153 1.00 0.00 H new ATOM 0 HG2 ARG B 20 12.833 -19.701 -3.622 1.00 0.00 H new ATOM 0 HG3 ARG B 20 13.637 -19.067 -2.200 1.00 0.00 H new ATOM 0 HD2 ARG B 20 11.437 -18.273 -1.285 1.00 0.00 H new ATOM 0 HD3 ARG B 20 10.616 -18.839 -2.726 1.00 0.00 H new ATOM 0 HE ARG B 20 12.278 -21.006 -1.661 1.00 0.00 H new ATOM 0 HH11 ARG B 20 9.630 -21.758 -2.499 1.00 0.00 H new ATOM 0 HH12 ARG B 20 8.702 -21.888 -1.001 1.00 0.00 H new ATOM 0 HH21 ARG B 20 10.986 -20.015 0.870 1.00 0.00 H new ATOM 0 HH22 ARG B 20 9.462 -20.910 0.888 1.00 0.00 H new ATOM 529 N GLY B 21 13.881 -16.000 -6.298 1.00 0.00 N ATOM 530 CA GLY B 21 13.978 -14.693 -7.004 1.00 0.00 C ATOM 531 C GLY B 21 12.925 -13.732 -6.449 1.00 0.00 C ATOM 532 O GLY B 21 13.101 -12.530 -6.461 1.00 0.00 O ATOM 0 H GLY B 21 13.500 -16.766 -6.853 1.00 0.00 H new ATOM 0 HA2 GLY B 21 14.975 -14.271 -6.874 1.00 0.00 H new ATOM 0 HA3 GLY B 21 13.828 -14.834 -8.074 1.00 0.00 H new ATOM 536 N LEU B 22 11.831 -14.251 -5.962 1.00 0.00 N ATOM 537 CA LEU B 22 10.770 -13.364 -5.407 1.00 0.00 C ATOM 538 C LEU B 22 10.393 -13.809 -3.992 1.00 0.00 C ATOM 539 O LEU B 22 10.317 -14.986 -3.700 1.00 0.00 O ATOM 540 CB LEU B 22 9.581 -13.529 -6.355 1.00 0.00 C ATOM 541 CG LEU B 22 9.896 -12.850 -7.689 1.00 0.00 C ATOM 542 CD1 LEU B 22 8.730 -13.062 -8.657 1.00 0.00 C ATOM 543 CD2 LEU B 22 10.104 -11.352 -7.462 1.00 0.00 C ATOM 0 H LEU B 22 11.626 -15.250 -5.925 1.00 0.00 H new ATOM 0 HA LEU B 22 11.095 -12.326 -5.336 1.00 0.00 H new ATOM 0 HB2 LEU B 22 9.372 -14.587 -6.513 1.00 0.00 H new ATOM 0 HB3 LEU B 22 8.686 -13.090 -5.913 1.00 0.00 H new ATOM 0 HG LEU B 22 10.803 -13.283 -8.112 1.00 0.00 H new ATOM 0 HD11 LEU B 22 8.954 -12.578 -9.608 1.00 0.00 H new ATOM 0 HD12 LEU B 22 8.581 -14.130 -8.819 1.00 0.00 H new ATOM 0 HD13 LEU B 22 7.823 -12.629 -8.235 1.00 0.00 H new ATOM 0 HD21 LEU B 22 10.329 -10.868 -8.412 1.00 0.00 H new ATOM 0 HD22 LEU B 22 9.198 -10.919 -7.039 1.00 0.00 H new ATOM 0 HD23 LEU B 22 10.934 -11.200 -6.772 1.00 0.00 H new ATOM 555 N THR B 23 10.156 -12.877 -3.111 1.00 0.00 N ATOM 556 CA THR B 23 9.784 -13.246 -1.715 1.00 0.00 C ATOM 557 C THR B 23 8.313 -12.910 -1.455 1.00 0.00 C ATOM 558 O THR B 23 7.592 -12.506 -2.346 1.00 0.00 O ATOM 559 CB THR B 23 10.694 -12.398 -0.824 1.00 0.00 C ATOM 560 OG1 THR B 23 10.263 -11.044 -0.866 1.00 0.00 O ATOM 561 CG2 THR B 23 12.135 -12.493 -1.326 1.00 0.00 C ATOM 0 H THR B 23 10.204 -11.875 -3.297 1.00 0.00 H new ATOM 0 HA THR B 23 9.906 -14.312 -1.523 1.00 0.00 H new ATOM 0 HB THR B 23 10.645 -12.765 0.201 1.00 0.00 H new ATOM 0 HG1 THR B 23 10.843 -10.498 -0.295 1.00 0.00 H new ATOM 0 HG21 THR B 23 12.782 -11.889 -0.691 1.00 0.00 H new ATOM 0 HG22 THR B 23 12.463 -13.532 -1.295 1.00 0.00 H new ATOM 0 HG23 THR B 23 12.188 -12.126 -2.351 1.00 0.00 H new ATOM 569 N SER B 24 7.863 -13.072 -0.241 1.00 0.00 N ATOM 570 CA SER B 24 6.438 -12.760 0.071 1.00 0.00 C ATOM 571 C SER B 24 6.153 -11.282 -0.209 1.00 0.00 C ATOM 572 O SER B 24 5.051 -10.907 -0.556 1.00 0.00 O ATOM 573 CB SER B 24 6.283 -13.062 1.562 1.00 0.00 C ATOM 574 OG SER B 24 7.206 -12.277 2.303 1.00 0.00 O ATOM 0 H SER B 24 8.418 -13.406 0.547 1.00 0.00 H new ATOM 0 HA SER B 24 5.743 -13.341 -0.535 1.00 0.00 H new ATOM 0 HB2 SER B 24 5.264 -12.845 1.884 1.00 0.00 H new ATOM 0 HB3 SER B 24 6.458 -14.121 1.749 1.00 0.00 H new ATOM 0 HG SER B 24 7.106 -12.469 3.259 1.00 0.00 H new ATOM 580 N ARG B 25 7.142 -10.442 -0.065 1.00 0.00 N ATOM 581 CA ARG B 25 6.931 -8.990 -0.326 1.00 0.00 C ATOM 582 C ARG B 25 6.663 -8.756 -1.815 1.00 0.00 C ATOM 583 O ARG B 25 5.726 -8.079 -2.186 1.00 0.00 O ATOM 584 CB ARG B 25 8.238 -8.319 0.097 1.00 0.00 C ATOM 585 CG ARG B 25 8.081 -6.799 0.016 1.00 0.00 C ATOM 586 CD ARG B 25 9.359 -6.127 0.526 1.00 0.00 C ATOM 587 NE ARG B 25 9.123 -4.668 0.343 1.00 0.00 N ATOM 588 CZ ARG B 25 10.033 -3.808 0.712 1.00 0.00 C ATOM 589 NH1 ARG B 25 10.572 -3.009 -0.168 1.00 0.00 N ATOM 590 NH2 ARG B 25 10.404 -3.747 1.961 1.00 0.00 N ATOM 0 H ARG B 25 8.087 -10.699 0.222 1.00 0.00 H new ATOM 0 HA ARG B 25 6.074 -8.591 0.217 1.00 0.00 H new ATOM 0 HB2 ARG B 25 8.499 -8.615 1.113 1.00 0.00 H new ATOM 0 HB3 ARG B 25 9.053 -8.646 -0.549 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.884 -6.497 -1.013 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.226 -6.479 0.611 1.00 0.00 H new ATOM 0 HD2 ARG B 25 9.542 -6.369 1.573 1.00 0.00 H new ATOM 0 HD3 ARG B 25 10.232 -6.460 -0.036 1.00 0.00 H new ATOM 0 HE ARG B 25 8.250 -4.341 -0.071 1.00 0.00 H new ATOM 0 HH11 ARG B 25 10.282 -3.056 -1.145 1.00 0.00 H new ATOM 0 HH12 ARG B 25 11.283 -2.337 0.121 1.00 0.00 H new ATOM 0 HH21 ARG B 25 9.983 -4.371 2.649 1.00 0.00 H new ATOM 0 HH22 ARG B 25 11.115 -3.075 2.250 1.00 0.00 H new ATOM 604 N ASP B 26 7.479 -9.310 -2.669 1.00 0.00 N ATOM 605 CA ASP B 26 7.272 -9.118 -4.134 1.00 0.00 C ATOM 606 C ASP B 26 5.878 -9.607 -4.543 1.00 0.00 C ATOM 607 O ASP B 26 5.105 -8.881 -5.134 1.00 0.00 O ATOM 608 CB ASP B 26 8.355 -9.965 -4.801 1.00 0.00 C ATOM 609 CG ASP B 26 9.713 -9.280 -4.631 1.00 0.00 C ATOM 610 OD1 ASP B 26 9.725 -8.103 -4.310 1.00 0.00 O ATOM 611 OD2 ASP B 26 10.718 -9.945 -4.824 1.00 0.00 O ATOM 0 H ASP B 26 8.281 -9.888 -2.416 1.00 0.00 H new ATOM 0 HA ASP B 26 7.337 -8.070 -4.426 1.00 0.00 H new ATOM 0 HB2 ASP B 26 8.379 -10.960 -4.357 1.00 0.00 H new ATOM 0 HB3 ASP B 26 8.130 -10.094 -5.860 1.00 0.00 H new ATOM 616 N ARG B 27 5.551 -10.832 -4.230 1.00 0.00 N ATOM 617 CA ARG B 27 4.207 -11.360 -4.603 1.00 0.00 C ATOM 618 C ARG B 27 3.111 -10.472 -4.008 1.00 0.00 C ATOM 619 O ARG B 27 2.250 -9.979 -4.709 1.00 0.00 O ATOM 620 CB ARG B 27 4.150 -12.762 -3.998 1.00 0.00 C ATOM 621 CG ARG B 27 2.783 -13.387 -4.284 1.00 0.00 C ATOM 622 CD ARG B 27 2.733 -13.864 -5.736 1.00 0.00 C ATOM 623 NE ARG B 27 3.582 -15.089 -5.765 1.00 0.00 N ATOM 624 CZ ARG B 27 4.119 -15.485 -6.886 1.00 0.00 C ATOM 625 NH1 ARG B 27 3.408 -15.502 -7.980 1.00 0.00 N ATOM 626 NH2 ARG B 27 5.368 -15.862 -6.915 1.00 0.00 N ATOM 0 H ARG B 27 6.154 -11.488 -3.734 1.00 0.00 H new ATOM 0 HA ARG B 27 4.053 -11.377 -5.682 1.00 0.00 H new ATOM 0 HB2 ARG B 27 4.941 -13.383 -4.418 1.00 0.00 H new ATOM 0 HB3 ARG B 27 4.321 -12.713 -2.923 1.00 0.00 H new ATOM 0 HG2 ARG B 27 2.606 -14.224 -3.609 1.00 0.00 H new ATOM 0 HG3 ARG B 27 1.993 -12.658 -4.102 1.00 0.00 H new ATOM 0 HD2 ARG B 27 1.711 -14.084 -6.045 1.00 0.00 H new ATOM 0 HD3 ARG B 27 3.115 -13.102 -6.416 1.00 0.00 H new ATOM 0 HE ARG B 27 3.743 -15.618 -4.908 1.00 0.00 H new ATOM 0 HH11 ARG B 27 2.432 -15.206 -7.959 1.00 0.00 H new ATOM 0 HH12 ARG B 27 3.828 -15.812 -8.856 1.00 0.00 H new ATOM 0 HH21 ARG B 27 5.925 -15.847 -6.061 1.00 0.00 H new ATOM 0 HH22 ARG B 27 5.787 -16.172 -7.792 1.00 0.00 H new ATOM 640 N ARG B 28 3.137 -10.262 -2.720 1.00 0.00 N ATOM 641 CA ARG B 28 2.098 -9.402 -2.085 1.00 0.00 C ATOM 642 C ARG B 28 2.282 -7.948 -2.525 1.00 0.00 C ATOM 643 O ARG B 28 1.395 -7.130 -2.382 1.00 0.00 O ATOM 644 CB ARG B 28 2.330 -9.542 -0.581 1.00 0.00 C ATOM 645 CG ARG B 28 1.583 -8.428 0.156 1.00 0.00 C ATOM 646 CD ARG B 28 1.602 -8.708 1.661 1.00 0.00 C ATOM 647 NE ARG B 28 1.041 -7.477 2.287 1.00 0.00 N ATOM 648 CZ ARG B 28 -0.226 -7.189 2.149 1.00 0.00 C ATOM 649 NH1 ARG B 28 -1.023 -8.017 1.529 1.00 0.00 N ATOM 650 NH2 ARG B 28 -0.696 -6.071 2.631 1.00 0.00 N ATOM 0 H ARG B 28 3.832 -10.648 -2.081 1.00 0.00 H new ATOM 0 HA ARG B 28 1.087 -9.696 -2.367 1.00 0.00 H new ATOM 0 HB2 ARG B 28 1.982 -10.516 -0.238 1.00 0.00 H new ATOM 0 HB3 ARG B 28 3.396 -9.488 -0.360 1.00 0.00 H new ATOM 0 HG2 ARG B 28 2.049 -7.465 -0.051 1.00 0.00 H new ATOM 0 HG3 ARG B 28 0.555 -8.368 -0.200 1.00 0.00 H new ATOM 0 HD2 ARG B 28 1.003 -9.585 1.907 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.615 -8.904 2.014 1.00 0.00 H new ATOM 0 HE ARG B 28 1.648 -6.858 2.824 1.00 0.00 H new ATOM 0 HH11 ARG B 28 -0.657 -8.891 1.151 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -2.012 -7.790 1.423 1.00 0.00 H new ATOM 0 HH21 ARG B 28 -0.074 -5.423 3.115 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -1.685 -5.845 2.524 1.00 0.00 H new ATOM 664 N ARG B 29 3.427 -7.619 -3.058 1.00 0.00 N ATOM 665 CA ARG B 29 3.666 -6.217 -3.504 1.00 0.00 C ATOM 666 C ARG B 29 2.891 -5.930 -4.793 1.00 0.00 C ATOM 667 O ARG B 29 2.383 -4.845 -4.991 1.00 0.00 O ATOM 668 CB ARG B 29 5.174 -6.126 -3.754 1.00 0.00 C ATOM 669 CG ARG B 29 5.481 -4.888 -4.602 1.00 0.00 C ATOM 670 CD ARG B 29 6.983 -4.604 -4.569 1.00 0.00 C ATOM 671 NE ARG B 29 7.117 -3.211 -5.080 1.00 0.00 N ATOM 672 CZ ARG B 29 8.263 -2.792 -5.544 1.00 0.00 C ATOM 673 NH1 ARG B 29 9.018 -3.594 -6.244 1.00 0.00 N ATOM 674 NH2 ARG B 29 8.655 -1.570 -5.306 1.00 0.00 N ATOM 0 H ARG B 29 4.207 -8.260 -3.204 1.00 0.00 H new ATOM 0 HA ARG B 29 3.332 -5.490 -2.764 1.00 0.00 H new ATOM 0 HB2 ARG B 29 5.707 -6.070 -2.805 1.00 0.00 H new ATOM 0 HB3 ARG B 29 5.523 -7.024 -4.264 1.00 0.00 H new ATOM 0 HG2 ARG B 29 5.153 -5.048 -5.629 1.00 0.00 H new ATOM 0 HG3 ARG B 29 4.930 -4.028 -4.222 1.00 0.00 H new ATOM 0 HD2 ARG B 29 7.381 -4.695 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG B 29 7.533 -5.309 -5.193 1.00 0.00 H new ATOM 0 HE ARG B 29 6.313 -2.584 -5.067 1.00 0.00 H new ATOM 0 HH11 ARG B 29 8.713 -4.550 -6.429 1.00 0.00 H new ATOM 0 HH12 ARG B 29 9.913 -3.265 -6.606 1.00 0.00 H new ATOM 0 HH21 ARG B 29 8.066 -0.943 -4.758 1.00 0.00 H new ATOM 0 HH22 ARG B 29 9.550 -1.242 -5.668 1.00 0.00 H new ATOM 688 N ILE B 30 2.800 -6.889 -5.675 1.00 0.00 N ATOM 689 CA ILE B 30 2.060 -6.649 -6.946 1.00 0.00 C ATOM 690 C ILE B 30 0.551 -6.640 -6.698 1.00 0.00 C ATOM 691 O ILE B 30 -0.139 -5.735 -7.106 1.00 0.00 O ATOM 692 CB ILE B 30 2.437 -7.799 -7.872 1.00 0.00 C ATOM 693 CG1 ILE B 30 3.958 -7.850 -8.035 1.00 0.00 C ATOM 694 CG2 ILE B 30 1.779 -7.564 -9.232 1.00 0.00 C ATOM 695 CD1 ILE B 30 4.361 -9.198 -8.636 1.00 0.00 C ATOM 0 H ILE B 30 3.203 -7.820 -5.572 1.00 0.00 H new ATOM 0 HA ILE B 30 2.318 -5.682 -7.379 1.00 0.00 H new ATOM 0 HB ILE B 30 2.095 -8.745 -7.452 1.00 0.00 H new ATOM 0 HG12 ILE B 30 4.293 -7.037 -8.680 1.00 0.00 H new ATOM 0 HG13 ILE B 30 4.443 -7.711 -7.069 1.00 0.00 H new ATOM 0 HG21 ILE B 30 2.039 -8.379 -9.908 1.00 0.00 H new ATOM 0 HG22 ILE B 30 0.697 -7.525 -9.111 1.00 0.00 H new ATOM 0 HG23 ILE B 30 2.132 -6.621 -9.649 1.00 0.00 H new ATOM 0 HD11 ILE B 30 5.444 -9.235 -8.752 1.00 0.00 H new ATOM 0 HD12 ILE B 30 4.039 -10.002 -7.974 1.00 0.00 H new ATOM 0 HD13 ILE B 30 3.887 -9.318 -9.610 1.00 0.00 H new ATOM 707 N ALA B 31 0.028 -7.631 -6.032 1.00 0.00 N ATOM 708 CA ALA B 31 -1.440 -7.631 -5.774 1.00 0.00 C ATOM 709 C ALA B 31 -1.846 -6.251 -5.260 1.00 0.00 C ATOM 710 O ALA B 31 -2.936 -5.777 -5.507 1.00 0.00 O ATOM 711 CB ALA B 31 -1.667 -8.702 -4.707 1.00 0.00 C ATOM 0 H ALA B 31 0.543 -8.429 -5.660 1.00 0.00 H new ATOM 0 HA ALA B 31 -2.031 -7.841 -6.666 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -2.729 -8.757 -4.467 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -1.329 -9.668 -5.083 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -1.105 -8.446 -3.809 1.00 0.00 H new ATOM 717 N ARG B 32 -0.956 -5.594 -4.568 1.00 0.00 N ATOM 718 CA ARG B 32 -1.266 -4.231 -4.060 1.00 0.00 C ATOM 719 C ARG B 32 -1.347 -3.273 -5.249 1.00 0.00 C ATOM 720 O ARG B 32 -2.097 -2.319 -5.250 1.00 0.00 O ATOM 721 CB ARG B 32 -0.091 -3.869 -3.151 1.00 0.00 C ATOM 722 CG ARG B 32 -0.369 -4.373 -1.733 1.00 0.00 C ATOM 723 CD ARG B 32 0.949 -4.480 -0.961 1.00 0.00 C ATOM 724 NE ARG B 32 1.667 -3.207 -1.252 1.00 0.00 N ATOM 725 CZ ARG B 32 2.920 -3.073 -0.912 1.00 0.00 C ATOM 726 NH1 ARG B 32 3.361 -3.626 0.184 1.00 0.00 N ATOM 727 NH2 ARG B 32 3.731 -2.384 -1.668 1.00 0.00 N ATOM 0 H ARG B 32 -0.027 -5.944 -4.333 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.213 -4.177 -3.522 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.828 -4.313 -3.533 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.057 -2.789 -3.142 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -1.049 -3.692 -1.220 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -0.860 -5.345 -1.771 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.772 -4.599 0.108 1.00 0.00 H new ATOM 0 HD3 ARG B 32 1.529 -5.344 -1.286 1.00 0.00 H new ATOM 0 HE ARG B 32 1.180 -2.441 -1.717 1.00 0.00 H new ATOM 0 HH11 ARG B 32 2.727 -4.163 0.775 1.00 0.00 H new ATOM 0 HH12 ARG B 32 4.340 -3.521 0.450 1.00 0.00 H new ATOM 0 HH21 ARG B 32 3.385 -1.950 -2.524 1.00 0.00 H new ATOM 0 HH22 ARG B 32 4.710 -2.279 -1.403 1.00 0.00 H new ATOM 741 N TRP B 33 -0.580 -3.542 -6.268 1.00 0.00 N ATOM 742 CA TRP B 33 -0.597 -2.683 -7.485 1.00 0.00 C ATOM 743 C TRP B 33 -2.030 -2.509 -7.980 1.00 0.00 C ATOM 744 O TRP B 33 -2.338 -1.604 -8.730 1.00 0.00 O ATOM 745 CB TRP B 33 0.216 -3.469 -8.519 1.00 0.00 C ATOM 746 CG TRP B 33 0.275 -2.705 -9.798 1.00 0.00 C ATOM 747 CD1 TRP B 33 0.960 -1.563 -9.968 1.00 0.00 C ATOM 748 CD2 TRP B 33 -0.353 -3.003 -11.080 1.00 0.00 C ATOM 749 NE1 TRP B 33 0.797 -1.126 -11.271 1.00 0.00 N ATOM 750 CE2 TRP B 33 -0.006 -1.982 -11.996 1.00 0.00 C ATOM 751 CE3 TRP B 33 -1.181 -4.046 -11.533 1.00 0.00 C ATOM 752 CZ2 TRP B 33 -0.465 -1.994 -13.314 1.00 0.00 C ATOM 753 CZ3 TRP B 33 -1.644 -4.060 -12.859 1.00 0.00 C ATOM 754 CH2 TRP B 33 -1.287 -3.037 -13.747 1.00 0.00 C ATOM 0 H TRP B 33 0.066 -4.330 -6.310 1.00 0.00 H new ATOM 0 HA TRP B 33 -0.192 -1.688 -7.299 1.00 0.00 H new ATOM 0 HB2 TRP B 33 1.224 -3.648 -8.144 1.00 0.00 H new ATOM 0 HB3 TRP B 33 -0.239 -4.445 -8.688 1.00 0.00 H new ATOM 0 HD1 TRP B 33 1.545 -1.065 -9.209 1.00 0.00 H new ATOM 0 HE1 TRP B 33 1.218 -0.277 -11.648 1.00 0.00 H new ATOM 0 HE3 TRP B 33 -1.462 -4.840 -10.858 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 -0.187 -1.203 -13.994 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 -2.280 -4.865 -13.196 1.00 0.00 H new ATOM 0 HH2 TRP B 33 -1.647 -3.055 -14.765 1.00 0.00 H new ATOM 765 N GLU B 34 -2.901 -3.389 -7.584 1.00 0.00 N ATOM 766 CA GLU B 34 -4.311 -3.305 -8.045 1.00 0.00 C ATOM 767 C GLU B 34 -5.244 -2.994 -6.873 1.00 0.00 C ATOM 768 O GLU B 34 -6.384 -2.615 -7.058 1.00 0.00 O ATOM 769 CB GLU B 34 -4.575 -4.689 -8.631 1.00 0.00 C ATOM 770 CG GLU B 34 -3.548 -4.950 -9.735 1.00 0.00 C ATOM 771 CD GLU B 34 -3.228 -6.444 -9.796 1.00 0.00 C ATOM 772 OE1 GLU B 34 -3.474 -7.123 -8.812 1.00 0.00 O ATOM 773 OE2 GLU B 34 -2.744 -6.885 -10.826 1.00 0.00 O ATOM 0 H GLU B 34 -2.696 -4.167 -6.957 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.485 -2.509 -8.769 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.499 -5.450 -7.855 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -5.587 -4.744 -9.033 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -3.938 -4.612 -10.695 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.639 -4.381 -9.542 1.00 0.00 H new ATOM 780 N LYS B 35 -4.765 -3.126 -5.670 1.00 0.00 N ATOM 781 CA LYS B 35 -5.615 -2.811 -4.487 1.00 0.00 C ATOM 782 C LYS B 35 -5.042 -1.591 -3.761 1.00 0.00 C ATOM 783 O LYS B 35 -5.610 -1.094 -2.809 1.00 0.00 O ATOM 784 CB LYS B 35 -5.548 -4.053 -3.598 1.00 0.00 C ATOM 785 CG LYS B 35 -6.017 -5.275 -4.390 1.00 0.00 C ATOM 786 CD LYS B 35 -7.535 -5.215 -4.571 1.00 0.00 C ATOM 787 CE LYS B 35 -8.218 -5.377 -3.211 1.00 0.00 C ATOM 788 NZ LYS B 35 -9.678 -5.309 -3.506 1.00 0.00 N ATOM 0 H LYS B 35 -3.819 -3.439 -5.452 1.00 0.00 H new ATOM 0 HA LYS B 35 -6.644 -2.575 -4.760 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -4.528 -4.205 -3.244 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -6.174 -3.916 -2.716 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.525 -5.302 -5.362 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -5.739 -6.190 -3.866 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -7.821 -4.265 -5.023 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -7.862 -6.002 -5.250 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -7.952 -6.326 -2.746 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -7.917 -4.589 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -10.216 -5.412 -2.622 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -9.902 -4.392 -3.942 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -9.936 -6.075 -4.160 1.00 0.00 H new ATOM 802 N ARG B 36 -3.917 -1.105 -4.214 1.00 0.00 N ATOM 803 CA ARG B 36 -3.296 0.083 -3.570 1.00 0.00 C ATOM 804 C ARG B 36 -3.383 1.283 -4.511 1.00 0.00 C ATOM 805 O ARG B 36 -3.660 2.390 -4.094 1.00 0.00 O ATOM 806 CB ARG B 36 -1.841 -0.321 -3.329 1.00 0.00 C ATOM 807 CG ARG B 36 -1.791 -1.507 -2.356 1.00 0.00 C ATOM 808 CD ARG B 36 -2.766 -1.271 -1.199 1.00 0.00 C ATOM 809 NE ARG B 36 -2.616 -2.465 -0.321 1.00 0.00 N ATOM 810 CZ ARG B 36 -3.541 -3.386 -0.309 1.00 0.00 C ATOM 811 NH1 ARG B 36 -4.800 -3.045 -0.266 1.00 0.00 N ATOM 812 NH2 ARG B 36 -3.208 -4.646 -0.341 1.00 0.00 N ATOM 0 H ARG B 36 -3.400 -1.484 -5.008 1.00 0.00 H new ATOM 0 HA ARG B 36 -3.792 0.371 -2.643 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -1.367 -0.591 -4.273 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -1.282 0.521 -2.921 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -2.048 -2.429 -2.878 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -0.779 -1.631 -1.971 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -2.527 -0.353 -0.662 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -3.790 -1.172 -1.559 1.00 0.00 H new ATOM 0 HE ARG B 36 -1.791 -2.563 0.271 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -5.061 -2.059 -0.242 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -5.523 -3.764 -0.257 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -2.224 -4.913 -0.375 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -3.931 -5.365 -0.332 1.00 0.00 H new ATOM 826 N ILE B 37 -3.165 1.073 -5.782 1.00 0.00 N ATOM 827 CA ILE B 37 -3.260 2.207 -6.743 1.00 0.00 C ATOM 828 C ILE B 37 -4.519 3.013 -6.431 1.00 0.00 C ATOM 829 O ILE B 37 -4.557 4.218 -6.586 1.00 0.00 O ATOM 830 CB ILE B 37 -3.360 1.556 -8.123 1.00 0.00 C ATOM 831 CG1 ILE B 37 -1.979 1.062 -8.557 1.00 0.00 C ATOM 832 CG2 ILE B 37 -3.877 2.581 -9.135 1.00 0.00 C ATOM 833 CD1 ILE B 37 -2.033 0.614 -10.019 1.00 0.00 C ATOM 0 H ILE B 37 -2.927 0.170 -6.193 1.00 0.00 H new ATOM 0 HA ILE B 37 -2.409 2.886 -6.688 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.049 0.712 -8.077 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -1.242 1.856 -8.436 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -1.662 0.234 -7.923 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -3.948 2.117 -10.119 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -4.862 2.932 -8.827 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.189 3.425 -9.181 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -1.049 0.262 -10.328 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -2.757 -0.194 -10.126 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -2.331 1.454 -10.646 1.00 0.00 H new ATOM 845 N ALA B 38 -5.546 2.350 -5.976 1.00 0.00 N ATOM 846 CA ALA B 38 -6.807 3.063 -5.632 1.00 0.00 C ATOM 847 C ALA B 38 -6.498 4.238 -4.699 1.00 0.00 C ATOM 848 O ALA B 38 -7.109 5.284 -4.776 1.00 0.00 O ATOM 849 CB ALA B 38 -7.668 2.018 -4.920 1.00 0.00 C ATOM 0 H ALA B 38 -5.566 1.341 -5.827 1.00 0.00 H new ATOM 0 HA ALA B 38 -7.311 3.473 -6.507 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -8.619 2.465 -4.632 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -7.850 1.178 -5.591 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -7.149 1.665 -4.029 1.00 0.00 H new ATOM 855 N TYR B 39 -5.545 4.070 -3.820 1.00 0.00 N ATOM 856 CA TYR B 39 -5.185 5.176 -2.885 1.00 0.00 C ATOM 857 C TYR B 39 -4.499 6.306 -3.655 1.00 0.00 C ATOM 858 O TYR B 39 -4.994 7.413 -3.728 1.00 0.00 O ATOM 859 CB TYR B 39 -4.213 4.550 -1.885 1.00 0.00 C ATOM 860 CG TYR B 39 -3.873 5.558 -0.813 1.00 0.00 C ATOM 861 CD1 TYR B 39 -2.863 6.503 -1.036 1.00 0.00 C ATOM 862 CD2 TYR B 39 -4.566 5.548 0.403 1.00 0.00 C ATOM 863 CE1 TYR B 39 -2.547 7.437 -0.042 1.00 0.00 C ATOM 864 CE2 TYR B 39 -4.250 6.481 1.398 1.00 0.00 C ATOM 865 CZ TYR B 39 -3.240 7.426 1.175 1.00 0.00 C ATOM 866 OH TYR B 39 -2.929 8.346 2.155 1.00 0.00 O ATOM 0 H TYR B 39 -5.001 3.215 -3.709 1.00 0.00 H new ATOM 0 HA TYR B 39 -6.058 5.603 -2.392 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -4.658 3.662 -1.436 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -3.306 4.228 -2.397 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -2.328 6.511 -1.974 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -5.345 4.820 0.574 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -1.769 8.166 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -4.784 6.472 2.337 1.00 0.00 H new ATOM 0 HH TYR B 39 -2.165 8.022 2.677 1.00 0.00 H new ATOM 876 N ALA B 40 -3.364 6.029 -4.234 1.00 0.00 N ATOM 877 CA ALA B 40 -2.640 7.079 -5.005 1.00 0.00 C ATOM 878 C ALA B 40 -3.527 7.610 -6.135 1.00 0.00 C ATOM 879 O ALA B 40 -3.256 8.641 -6.717 1.00 0.00 O ATOM 880 CB ALA B 40 -1.410 6.372 -5.575 1.00 0.00 C ATOM 0 H ALA B 40 -2.905 5.118 -4.207 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.368 7.934 -4.386 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -0.821 7.080 -6.159 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -0.803 5.982 -4.758 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -1.728 5.549 -6.216 1.00 0.00 H new ATOM 886 N LEU B 41 -4.586 6.914 -6.448 1.00 0.00 N ATOM 887 CA LEU B 41 -5.489 7.379 -7.537 1.00 0.00 C ATOM 888 C LEU B 41 -6.682 8.130 -6.942 1.00 0.00 C ATOM 889 O LEU B 41 -7.055 9.190 -7.403 1.00 0.00 O ATOM 890 CB LEU B 41 -5.953 6.104 -8.241 1.00 0.00 C ATOM 891 CG LEU B 41 -7.042 6.450 -9.259 1.00 0.00 C ATOM 892 CD1 LEU B 41 -6.392 6.954 -10.550 1.00 0.00 C ATOM 893 CD2 LEU B 41 -7.874 5.202 -9.560 1.00 0.00 C ATOM 0 H LEU B 41 -4.864 6.043 -5.996 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.992 8.063 -8.225 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -5.111 5.625 -8.742 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -6.336 5.392 -7.511 1.00 0.00 H new ATOM 0 HG LEU B 41 -7.688 7.227 -8.850 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.167 7.201 -11.275 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -5.799 7.843 -10.336 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -5.746 6.177 -10.959 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -8.650 5.448 -10.285 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -7.229 4.424 -9.969 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -8.337 4.843 -8.641 1.00 0.00 H new ATOM 905 N LYS B 42 -7.282 7.588 -5.918 1.00 0.00 N ATOM 906 CA LYS B 42 -8.448 8.271 -5.291 1.00 0.00 C ATOM 907 C LYS B 42 -7.985 9.528 -4.549 1.00 0.00 C ATOM 908 O LYS B 42 -8.766 10.409 -4.252 1.00 0.00 O ATOM 909 CB LYS B 42 -9.024 7.252 -4.307 1.00 0.00 C ATOM 910 CG LYS B 42 -9.704 6.121 -5.080 1.00 0.00 C ATOM 911 CD LYS B 42 -10.256 5.091 -4.093 1.00 0.00 C ATOM 912 CE LYS B 42 -10.787 3.879 -4.862 1.00 0.00 C ATOM 913 NZ LYS B 42 -11.262 2.939 -3.807 1.00 0.00 N ATOM 0 H LYS B 42 -7.015 6.702 -5.489 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.186 8.588 -6.028 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -8.230 6.850 -3.678 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -9.742 7.736 -3.645 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.510 6.520 -5.695 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -8.992 5.648 -5.756 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -9.474 4.781 -3.400 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -11.053 5.534 -3.497 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -11.597 4.161 -5.535 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -10.007 3.426 -5.474 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -11.642 2.080 -4.253 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.468 2.684 -3.186 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -12.008 3.396 -3.245 1.00 0.00 H new ATOM 927 N ASN B 43 -6.717 9.615 -4.248 1.00 0.00 N ATOM 928 CA ASN B 43 -6.202 10.814 -3.525 1.00 0.00 C ATOM 929 C ASN B 43 -5.362 11.679 -4.467 1.00 0.00 C ATOM 930 O ASN B 43 -4.342 11.255 -4.972 1.00 0.00 O ATOM 931 CB ASN B 43 -5.336 10.249 -2.397 1.00 0.00 C ATOM 932 CG ASN B 43 -6.230 9.567 -1.361 1.00 0.00 C ATOM 933 OD1 ASN B 43 -7.145 10.171 -0.838 1.00 0.00 O ATOM 934 ND2 ASN B 43 -6.002 8.322 -1.039 1.00 0.00 N ATOM 0 H ASN B 43 -6.016 8.908 -4.471 1.00 0.00 H new ATOM 0 HA ASN B 43 -7.004 11.447 -3.146 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.617 9.535 -2.799 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.763 11.049 -1.928 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.592 7.857 -0.349 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -5.234 7.814 -1.478 1.00 0.00 H new ATOM 941 N GLY B 44 -5.782 12.892 -4.705 1.00 0.00 N ATOM 942 CA GLY B 44 -5.007 13.784 -5.613 1.00 0.00 C ATOM 943 C GLY B 44 -5.183 13.316 -7.059 1.00 0.00 C ATOM 944 O GLY B 44 -6.229 12.763 -7.358 1.00 0.00 O ATOM 945 OXT GLY B 44 -4.272 13.520 -7.842 1.00 0.00 O ATOM 0 H GLY B 44 -6.628 13.303 -4.310 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -5.349 14.814 -5.508 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -3.952 13.770 -5.341 1.00 0.00 H new TER 949 GLY B 44