USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 399 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 G O2' : rot -12:sc= -1.06 USER MOD Single : A 2 C O2' : rot -13:sc= 0.144 USER MOD Single : A 3 C O2' : rot 180:sc= -2.11! USER MOD Single : A 4 C O2' : rot 180:sc= -3.67! USER MOD Single : A 5 U O2' : rot -4:sc= -3.71! USER MOD Single : A 6 G O2' : rot 178:sc= 0.444 USER MOD Single : A 7 A O2' : rot 180:sc= -1.07 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 -96:sc= -0.355 USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 TYR OH : rot -85:sc= 1.24 USER MOD Single : B 42 LYS NZ :NH3+ -163:sc=-0.00944 (180deg=-0.319) USER MOD Single : B 43 ASN : amide:sc= 0.111 X(o=0.11,f=-0.023) 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 15.761 -19.963 -3.437 1.00 0.00 N ATOM 492 CA ASP B 19 15.975 -18.708 -4.215 1.00 0.00 C ATOM 493 C ASP B 19 14.830 -18.502 -5.211 1.00 0.00 C ATOM 494 O ASP B 19 15.016 -18.583 -6.410 1.00 0.00 O ATOM 495 CB ASP B 19 17.297 -18.920 -4.953 1.00 0.00 C ATOM 496 CG ASP B 19 17.192 -20.163 -5.840 1.00 0.00 C ATOM 497 OD1 ASP B 19 16.114 -20.730 -5.905 1.00 0.00 O ATOM 498 OD2 ASP B 19 18.192 -20.525 -6.438 1.00 0.00 O ATOM 0 HA ASP B 19 16.003 -17.825 -3.576 1.00 0.00 H new ATOM 0 HB2 ASP B 19 17.531 -18.046 -5.560 1.00 0.00 H new ATOM 0 HB3 ASP B 19 18.111 -19.038 -4.237 1.00 0.00 H new ATOM 505 N ARG B 20 13.648 -18.239 -4.725 1.00 0.00 N ATOM 506 CA ARG B 20 12.494 -18.030 -5.645 1.00 0.00 C ATOM 507 C ARG B 20 12.512 -16.604 -6.203 1.00 0.00 C ATOM 508 O ARG B 20 12.745 -15.650 -5.485 1.00 0.00 O ATOM 509 CB ARG B 20 11.252 -18.251 -4.780 1.00 0.00 C ATOM 510 CG ARG B 20 10.020 -18.376 -5.677 1.00 0.00 C ATOM 511 CD ARG B 20 8.778 -18.593 -4.810 1.00 0.00 C ATOM 512 NE ARG B 20 7.664 -18.787 -5.779 1.00 0.00 N ATOM 513 CZ ARG B 20 7.394 -19.982 -6.233 1.00 0.00 C ATOM 514 NH1 ARG B 20 6.508 -20.724 -5.628 1.00 0.00 N ATOM 515 NH2 ARG B 20 8.011 -20.432 -7.291 1.00 0.00 N ATOM 0 H ARG B 20 13.431 -18.160 -3.731 1.00 0.00 H new ATOM 0 HA ARG B 20 12.521 -18.705 -6.500 1.00 0.00 H new ATOM 0 HB2 ARG B 20 11.370 -19.153 -4.179 1.00 0.00 H new ATOM 0 HB3 ARG B 20 11.127 -17.420 -4.086 1.00 0.00 H new ATOM 0 HG2 ARG B 20 9.903 -17.475 -6.280 1.00 0.00 H new ATOM 0 HG3 ARG B 20 10.144 -19.209 -6.369 1.00 0.00 H new ATOM 0 HD2 ARG B 20 8.895 -19.462 -4.163 1.00 0.00 H new ATOM 0 HD3 ARG B 20 8.594 -17.736 -4.162 1.00 0.00 H new ATOM 0 HE ARG B 20 7.112 -17.987 -6.088 1.00 0.00 H new ATOM 0 HH11 ARG B 20 6.026 -20.371 -4.801 1.00 0.00 H new ATOM 0 HH12 ARG B 20 6.297 -21.657 -5.982 1.00 0.00 H new ATOM 0 HH21 ARG B 20 8.704 -19.851 -7.763 1.00 0.00 H new ATOM 0 HH22 ARG B 20 7.801 -21.365 -7.646 1.00 0.00 H new ATOM 529 N GLY B 21 12.270 -16.450 -7.476 1.00 0.00 N ATOM 530 CA GLY B 21 12.275 -15.087 -8.076 1.00 0.00 C ATOM 531 C GLY B 21 11.109 -14.276 -7.505 1.00 0.00 C ATOM 532 O GLY B 21 11.183 -13.070 -7.374 1.00 0.00 O ATOM 0 H GLY B 21 12.069 -17.210 -8.126 1.00 0.00 H new ATOM 0 HA2 GLY B 21 13.220 -14.587 -7.862 1.00 0.00 H new ATOM 0 HA3 GLY B 21 12.189 -15.155 -9.160 1.00 0.00 H new ATOM 536 N LEU B 22 10.034 -14.931 -7.161 1.00 0.00 N ATOM 537 CA LEU B 22 8.864 -14.199 -6.595 1.00 0.00 C ATOM 538 C LEU B 22 8.652 -14.597 -5.132 1.00 0.00 C ATOM 539 O LEU B 22 8.200 -15.684 -4.834 1.00 0.00 O ATOM 540 CB LEU B 22 7.672 -14.637 -7.448 1.00 0.00 C ATOM 541 CG LEU B 22 7.804 -14.043 -8.851 1.00 0.00 C ATOM 542 CD1 LEU B 22 6.771 -14.689 -9.776 1.00 0.00 C ATOM 543 CD2 LEU B 22 7.560 -12.534 -8.791 1.00 0.00 C ATOM 0 H LEU B 22 9.915 -15.940 -7.247 1.00 0.00 H new ATOM 0 HA LEU B 22 9.003 -13.118 -6.614 1.00 0.00 H new ATOM 0 HB2 LEU B 22 7.632 -15.725 -7.504 1.00 0.00 H new ATOM 0 HB3 LEU B 22 6.741 -14.307 -6.988 1.00 0.00 H new ATOM 0 HG LEU B 22 8.806 -14.234 -9.234 1.00 0.00 H new ATOM 0 HD11 LEU B 22 6.864 -14.267 -10.776 1.00 0.00 H new ATOM 0 HD12 LEU B 22 6.943 -15.764 -9.819 1.00 0.00 H new ATOM 0 HD13 LEU B 22 5.769 -14.497 -9.393 1.00 0.00 H new ATOM 0 HD21 LEU B 22 7.654 -12.110 -9.791 1.00 0.00 H new ATOM 0 HD22 LEU B 22 6.557 -12.342 -8.408 1.00 0.00 H new ATOM 0 HD23 LEU B 22 8.294 -12.073 -8.131 1.00 0.00 H new ATOM 555 N THR B 23 8.977 -13.724 -4.218 1.00 0.00 N ATOM 556 CA THR B 23 8.795 -14.054 -2.775 1.00 0.00 C ATOM 557 C THR B 23 7.373 -13.703 -2.329 1.00 0.00 C ATOM 558 O THR B 23 6.499 -13.460 -3.137 1.00 0.00 O ATOM 559 CB THR B 23 9.816 -13.185 -2.039 1.00 0.00 C ATOM 560 OG1 THR B 23 9.376 -11.834 -2.044 1.00 0.00 O ATOM 561 CG2 THR B 23 11.172 -13.285 -2.739 1.00 0.00 C ATOM 0 H THR B 23 9.360 -12.798 -4.407 1.00 0.00 H new ATOM 0 HA THR B 23 8.940 -15.115 -2.572 1.00 0.00 H new ATOM 0 HB THR B 23 9.915 -13.531 -1.010 1.00 0.00 H new ATOM 0 HG1 THR B 23 10.028 -11.276 -1.571 1.00 0.00 H new ATOM 0 HG21 THR B 23 11.899 -12.665 -2.214 1.00 0.00 H new ATOM 0 HG22 THR B 23 11.508 -14.322 -2.734 1.00 0.00 H new ATOM 0 HG23 THR B 23 11.077 -12.939 -3.768 1.00 0.00 H new ATOM 569 N SER B 24 7.135 -13.671 -1.045 1.00 0.00 N ATOM 570 CA SER B 24 5.771 -13.332 -0.549 1.00 0.00 C ATOM 571 C SER B 24 5.458 -11.868 -0.856 1.00 0.00 C ATOM 572 O SER B 24 4.397 -11.539 -1.350 1.00 0.00 O ATOM 573 CB SER B 24 5.825 -13.564 0.962 1.00 0.00 C ATOM 574 OG SER B 24 6.759 -12.669 1.546 1.00 0.00 O ATOM 0 H SER B 24 7.825 -13.865 -0.320 1.00 0.00 H new ATOM 0 HA SER B 24 4.995 -13.934 -1.022 1.00 0.00 H new ATOM 0 HB2 SER B 24 4.838 -13.413 1.399 1.00 0.00 H new ATOM 0 HB3 SER B 24 6.112 -14.594 1.172 1.00 0.00 H new ATOM 0 HG SER B 24 7.623 -13.120 1.650 1.00 0.00 H new ATOM 580 N ARG B 25 6.375 -10.986 -0.570 1.00 0.00 N ATOM 581 CA ARG B 25 6.133 -9.543 -0.849 1.00 0.00 C ATOM 582 C ARG B 25 5.748 -9.351 -2.317 1.00 0.00 C ATOM 583 O ARG B 25 4.769 -8.707 -2.631 1.00 0.00 O ATOM 584 CB ARG B 25 7.464 -8.851 -0.550 1.00 0.00 C ATOM 585 CG ARG B 25 7.834 -9.072 0.918 1.00 0.00 C ATOM 586 CD ARG B 25 9.111 -8.295 1.244 1.00 0.00 C ATOM 587 NE ARG B 25 9.291 -8.458 2.715 1.00 0.00 N ATOM 588 CZ ARG B 25 10.482 -8.361 3.240 1.00 0.00 C ATOM 589 NH1 ARG B 25 11.216 -9.429 3.395 1.00 0.00 N ATOM 590 NH2 ARG B 25 10.937 -7.197 3.612 1.00 0.00 N ATOM 0 H ARG B 25 7.281 -11.202 -0.155 1.00 0.00 H new ATOM 0 HA ARG B 25 5.320 -9.136 -0.248 1.00 0.00 H new ATOM 0 HB2 ARG B 25 8.246 -9.248 -1.197 1.00 0.00 H new ATOM 0 HB3 ARG B 25 7.387 -7.784 -0.760 1.00 0.00 H new ATOM 0 HG2 ARG B 25 7.020 -8.742 1.563 1.00 0.00 H new ATOM 0 HG3 ARG B 25 7.983 -10.134 1.111 1.00 0.00 H new ATOM 0 HD2 ARG B 25 9.966 -8.690 0.695 1.00 0.00 H new ATOM 0 HD3 ARG B 25 9.015 -7.244 0.971 1.00 0.00 H new ATOM 0 HE ARG B 25 8.484 -8.645 3.310 1.00 0.00 H new ATOM 0 HH11 ARG B 25 10.859 -10.340 3.106 1.00 0.00 H new ATOM 0 HH12 ARG B 25 12.147 -9.353 3.805 1.00 0.00 H new ATOM 0 HH21 ARG B 25 10.362 -6.363 3.493 1.00 0.00 H new ATOM 0 HH22 ARG B 25 11.868 -7.121 4.022 1.00 0.00 H new ATOM 604 N ASP B 26 6.509 -9.911 -3.218 1.00 0.00 N ATOM 605 CA ASP B 26 6.184 -9.763 -4.666 1.00 0.00 C ATOM 606 C ASP B 26 4.765 -10.269 -4.943 1.00 0.00 C ATOM 607 O ASP B 26 3.893 -9.518 -5.329 1.00 0.00 O ATOM 608 CB ASP B 26 7.214 -10.626 -5.395 1.00 0.00 C ATOM 609 CG ASP B 26 7.414 -10.092 -6.814 1.00 0.00 C ATOM 610 OD1 ASP B 26 6.497 -9.474 -7.328 1.00 0.00 O ATOM 611 OD2 ASP B 26 8.483 -10.309 -7.363 1.00 0.00 O ATOM 0 H ASP B 26 7.341 -10.464 -3.014 1.00 0.00 H new ATOM 0 HA ASP B 26 6.220 -8.724 -4.993 1.00 0.00 H new ATOM 0 HB2 ASP B 26 8.160 -10.616 -4.854 1.00 0.00 H new ATOM 0 HB3 ASP B 26 6.877 -11.662 -5.429 1.00 0.00 H new ATOM 616 N ARG B 27 4.529 -11.538 -4.745 1.00 0.00 N ATOM 617 CA ARG B 27 3.166 -12.088 -4.996 1.00 0.00 C ATOM 618 C ARG B 27 2.119 -11.245 -4.264 1.00 0.00 C ATOM 619 O ARG B 27 1.097 -10.890 -4.817 1.00 0.00 O ATOM 620 CB ARG B 27 3.203 -13.509 -4.430 1.00 0.00 C ATOM 621 CG ARG B 27 4.139 -14.373 -5.277 1.00 0.00 C ATOM 622 CD ARG B 27 3.488 -14.654 -6.631 1.00 0.00 C ATOM 623 NE ARG B 27 2.197 -15.322 -6.302 1.00 0.00 N ATOM 624 CZ ARG B 27 1.320 -15.544 -7.243 1.00 0.00 C ATOM 625 NH1 ARG B 27 0.280 -14.765 -7.362 1.00 0.00 N ATOM 626 NH2 ARG B 27 1.482 -16.546 -8.063 1.00 0.00 N ATOM 0 H ARG B 27 5.219 -12.216 -4.421 1.00 0.00 H new ATOM 0 HA ARG B 27 2.902 -12.079 -6.053 1.00 0.00 H new ATOM 0 HB2 ARG B 27 3.545 -13.491 -3.395 1.00 0.00 H new ATOM 0 HB3 ARG B 27 2.200 -13.936 -4.427 1.00 0.00 H new ATOM 0 HG2 ARG B 27 5.092 -13.864 -5.419 1.00 0.00 H new ATOM 0 HG3 ARG B 27 4.351 -15.310 -4.762 1.00 0.00 H new ATOM 0 HD2 ARG B 27 3.325 -13.733 -7.190 1.00 0.00 H new ATOM 0 HD3 ARG B 27 4.119 -15.294 -7.248 1.00 0.00 H new ATOM 0 HE ARG B 27 1.999 -15.605 -5.342 1.00 0.00 H new ATOM 0 HH11 ARG B 27 0.153 -13.983 -6.720 1.00 0.00 H new ATOM 0 HH12 ARG B 27 -0.405 -14.938 -8.097 1.00 0.00 H new ATOM 0 HH21 ARG B 27 2.294 -17.156 -7.969 1.00 0.00 H new ATOM 0 HH22 ARG B 27 0.797 -16.719 -8.798 1.00 0.00 H new ATOM 640 N ARG B 28 2.366 -10.920 -3.025 1.00 0.00 N ATOM 641 CA ARG B 28 1.386 -10.096 -2.261 1.00 0.00 C ATOM 642 C ARG B 28 1.471 -8.636 -2.709 1.00 0.00 C ATOM 643 O ARG B 28 0.600 -7.838 -2.427 1.00 0.00 O ATOM 644 CB ARG B 28 1.804 -10.236 -0.795 1.00 0.00 C ATOM 645 CG ARG B 28 1.152 -9.125 0.034 1.00 0.00 C ATOM 646 CD ARG B 28 1.557 -9.277 1.502 1.00 0.00 C ATOM 647 NE ARG B 28 1.601 -7.883 2.032 1.00 0.00 N ATOM 648 CZ ARG B 28 2.606 -7.105 1.738 1.00 0.00 C ATOM 649 NH1 ARG B 28 3.820 -7.585 1.728 1.00 0.00 N ATOM 650 NH2 ARG B 28 2.399 -5.849 1.453 1.00 0.00 N ATOM 0 H ARG B 28 3.203 -11.189 -2.508 1.00 0.00 H new ATOM 0 HA ARG B 28 0.357 -10.420 -2.420 1.00 0.00 H new ATOM 0 HB2 ARG B 28 1.505 -11.212 -0.413 1.00 0.00 H new ATOM 0 HB3 ARG B 28 2.889 -10.179 -0.709 1.00 0.00 H new ATOM 0 HG2 ARG B 28 1.461 -8.149 -0.340 1.00 0.00 H new ATOM 0 HG3 ARG B 28 0.067 -9.174 -0.062 1.00 0.00 H new ATOM 0 HD2 ARG B 28 0.838 -9.886 2.050 1.00 0.00 H new ATOM 0 HD3 ARG B 28 2.526 -9.767 1.596 1.00 0.00 H new ATOM 0 HE ARG B 28 0.845 -7.538 2.624 1.00 0.00 H new ATOM 0 HH11 ARG B 28 3.982 -8.567 1.950 1.00 0.00 H new ATOM 0 HH12 ARG B 28 4.607 -6.978 1.498 1.00 0.00 H new ATOM 0 HH21 ARG B 28 1.450 -5.474 1.460 1.00 0.00 H new ATOM 0 HH22 ARG B 28 3.186 -5.242 1.223 1.00 0.00 H new ATOM 664 N ARG B 29 2.516 -8.279 -3.404 1.00 0.00 N ATOM 665 CA ARG B 29 2.660 -6.869 -3.866 1.00 0.00 C ATOM 666 C ARG B 29 1.727 -6.594 -5.047 1.00 0.00 C ATOM 667 O ARG B 29 1.180 -5.517 -5.177 1.00 0.00 O ATOM 668 CB ARG B 29 4.121 -6.737 -4.303 1.00 0.00 C ATOM 669 CG ARG B 29 4.915 -6.009 -3.216 1.00 0.00 C ATOM 670 CD ARG B 29 6.318 -5.691 -3.737 1.00 0.00 C ATOM 671 NE ARG B 29 6.146 -4.475 -4.580 1.00 0.00 N ATOM 672 CZ ARG B 29 5.941 -4.593 -5.863 1.00 0.00 C ATOM 673 NH1 ARG B 29 6.666 -5.420 -6.566 1.00 0.00 N ATOM 674 NH2 ARG B 29 5.011 -3.885 -6.444 1.00 0.00 N ATOM 0 H ARG B 29 3.277 -8.903 -3.672 1.00 0.00 H new ATOM 0 HA ARG B 29 2.400 -6.157 -3.083 1.00 0.00 H new ATOM 0 HB2 ARG B 29 4.549 -7.723 -4.482 1.00 0.00 H new ATOM 0 HB3 ARG B 29 4.182 -6.188 -5.243 1.00 0.00 H new ATOM 0 HG2 ARG B 29 4.404 -5.089 -2.931 1.00 0.00 H new ATOM 0 HG3 ARG B 29 4.979 -6.628 -2.321 1.00 0.00 H new ATOM 0 HD2 ARG B 29 7.012 -5.508 -2.917 1.00 0.00 H new ATOM 0 HD3 ARG B 29 6.722 -6.521 -4.318 1.00 0.00 H new ATOM 0 HE ARG B 29 6.189 -3.549 -4.154 1.00 0.00 H new ATOM 0 HH11 ARG B 29 7.393 -5.974 -6.112 1.00 0.00 H new ATOM 0 HH12 ARG B 29 6.506 -5.513 -7.569 1.00 0.00 H new ATOM 0 HH21 ARG B 29 4.444 -3.239 -5.895 1.00 0.00 H new ATOM 0 HH22 ARG B 29 4.851 -3.978 -7.447 1.00 0.00 H new ATOM 688 N ILE B 30 1.542 -7.552 -5.914 1.00 0.00 N ATOM 689 CA ILE B 30 0.647 -7.325 -7.083 1.00 0.00 C ATOM 690 C ILE B 30 -0.801 -7.158 -6.625 1.00 0.00 C ATOM 691 O ILE B 30 -1.464 -6.214 -6.995 1.00 0.00 O ATOM 692 CB ILE B 30 0.785 -8.563 -7.961 1.00 0.00 C ATOM 693 CG1 ILE B 30 2.254 -8.769 -8.335 1.00 0.00 C ATOM 694 CG2 ILE B 30 -0.043 -8.356 -9.229 1.00 0.00 C ATOM 695 CD1 ILE B 30 2.428 -10.148 -8.974 1.00 0.00 C ATOM 0 H ILE B 30 1.969 -8.477 -5.864 1.00 0.00 H new ATOM 0 HA ILE B 30 0.919 -6.418 -7.622 1.00 0.00 H new ATOM 0 HB ILE B 30 0.430 -9.442 -7.423 1.00 0.00 H new ATOM 0 HG12 ILE B 30 2.577 -7.992 -9.028 1.00 0.00 H new ATOM 0 HG13 ILE B 30 2.882 -8.686 -7.448 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.045 -9.234 -9.869 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -1.089 -8.206 -8.960 1.00 0.00 H new ATOM 0 HG23 ILE B 30 0.323 -7.479 -9.764 1.00 0.00 H new ATOM 0 HD11 ILE B 30 3.474 -10.296 -9.241 1.00 0.00 H new ATOM 0 HD12 ILE B 30 2.122 -10.918 -8.266 1.00 0.00 H new ATOM 0 HD13 ILE B 30 1.812 -10.214 -9.871 1.00 0.00 H new ATOM 707 N ALA B 31 -1.304 -8.056 -5.824 1.00 0.00 N ATOM 708 CA ALA B 31 -2.713 -7.909 -5.360 1.00 0.00 C ATOM 709 C ALA B 31 -2.938 -6.463 -4.923 1.00 0.00 C ATOM 710 O ALA B 31 -4.000 -5.902 -5.112 1.00 0.00 O ATOM 711 CB ALA B 31 -2.854 -8.866 -4.177 1.00 0.00 C ATOM 0 H ALA B 31 -0.808 -8.876 -5.474 1.00 0.00 H new ATOM 0 HA ALA B 31 -3.444 -8.139 -6.136 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -3.869 -8.811 -3.783 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -2.647 -9.884 -4.506 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -2.146 -8.586 -3.396 1.00 0.00 H new ATOM 717 N ARG B 32 -1.931 -5.846 -4.367 1.00 0.00 N ATOM 718 CA ARG B 32 -2.072 -4.426 -3.950 1.00 0.00 C ATOM 719 C ARG B 32 -2.229 -3.567 -5.203 1.00 0.00 C ATOM 720 O ARG B 32 -2.968 -2.606 -5.231 1.00 0.00 O ATOM 721 CB ARG B 32 -0.769 -4.092 -3.223 1.00 0.00 C ATOM 722 CG ARG B 32 -0.942 -4.337 -1.723 1.00 0.00 C ATOM 723 CD ARG B 32 -0.085 -5.530 -1.296 1.00 0.00 C ATOM 724 NE ARG B 32 -1.054 -6.647 -1.109 1.00 0.00 N ATOM 725 CZ ARG B 32 -1.764 -6.719 -0.017 1.00 0.00 C ATOM 726 NH1 ARG B 32 -1.214 -6.459 1.138 1.00 0.00 N ATOM 727 NH2 ARG B 32 -3.024 -7.051 -0.078 1.00 0.00 N ATOM 0 H ARG B 32 -1.019 -6.265 -4.185 1.00 0.00 H new ATOM 0 HA ARG B 32 -2.936 -4.248 -3.310 1.00 0.00 H new ATOM 0 HB2 ARG B 32 0.044 -4.706 -3.611 1.00 0.00 H new ATOM 0 HB3 ARG B 32 -0.496 -3.052 -3.403 1.00 0.00 H new ATOM 0 HG2 ARG B 32 -0.651 -3.448 -1.163 1.00 0.00 H new ATOM 0 HG3 ARG B 32 -1.990 -4.529 -1.494 1.00 0.00 H new ATOM 0 HD2 ARG B 32 0.659 -5.774 -2.054 1.00 0.00 H new ATOM 0 HD3 ARG B 32 0.457 -5.318 -0.374 1.00 0.00 H new ATOM 0 HE ARG B 32 -1.162 -7.355 -1.835 1.00 0.00 H new ATOM 0 HH11 ARG B 32 -0.229 -6.199 1.187 1.00 0.00 H new ATOM 0 HH12 ARG B 32 -1.769 -6.515 1.992 1.00 0.00 H new ATOM 0 HH21 ARG B 32 -3.455 -7.255 -0.980 1.00 0.00 H new ATOM 0 HH22 ARG B 32 -3.579 -7.107 0.776 1.00 0.00 H new ATOM 741 N TRP B 33 -1.547 -3.932 -6.252 1.00 0.00 N ATOM 742 CA TRP B 33 -1.652 -3.172 -7.528 1.00 0.00 C ATOM 743 C TRP B 33 -3.118 -2.896 -7.851 1.00 0.00 C ATOM 744 O TRP B 33 -3.448 -1.983 -8.579 1.00 0.00 O ATOM 745 CB TRP B 33 -1.056 -4.106 -8.586 1.00 0.00 C ATOM 746 CG TRP B 33 -1.048 -3.421 -9.911 1.00 0.00 C ATOM 747 CD1 TRP B 33 -0.271 -2.369 -10.217 1.00 0.00 C ATOM 748 CD2 TRP B 33 -1.830 -3.717 -11.105 1.00 0.00 C ATOM 749 NE1 TRP B 33 -0.520 -1.987 -11.522 1.00 0.00 N ATOM 750 CE2 TRP B 33 -1.476 -2.789 -12.112 1.00 0.00 C ATOM 751 CE3 TRP B 33 -2.801 -4.686 -11.410 1.00 0.00 C ATOM 752 CZ2 TRP B 33 -2.064 -2.820 -13.377 1.00 0.00 C ATOM 753 CZ3 TRP B 33 -3.396 -4.721 -12.681 1.00 0.00 C ATOM 754 CH2 TRP B 33 -3.029 -3.790 -13.663 1.00 0.00 C ATOM 0 H TRP B 33 -0.915 -4.732 -6.280 1.00 0.00 H new ATOM 0 HA TRP B 33 -1.140 -2.211 -7.482 1.00 0.00 H new ATOM 0 HB2 TRP B 33 -0.041 -4.389 -8.306 1.00 0.00 H new ATOM 0 HB3 TRP B 33 -1.639 -5.025 -8.644 1.00 0.00 H new ATOM 0 HD1 TRP B 33 0.435 -1.897 -9.550 1.00 0.00 H new ATOM 0 HE1 TRP B 33 -0.055 -1.209 -11.991 1.00 0.00 H new ATOM 0 HE3 TRP B 33 -3.091 -5.409 -10.662 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 -1.776 -2.100 -14.129 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 -4.141 -5.470 -12.904 1.00 0.00 H new ATOM 0 HH2 TRP B 33 -3.491 -3.822 -14.639 1.00 0.00 H new ATOM 765 N GLU B 34 -3.997 -3.702 -7.332 1.00 0.00 N ATOM 766 CA GLU B 34 -5.442 -3.518 -7.625 1.00 0.00 C ATOM 767 C GLU B 34 -6.197 -3.076 -6.369 1.00 0.00 C ATOM 768 O GLU B 34 -7.290 -2.551 -6.443 1.00 0.00 O ATOM 769 CB GLU B 34 -5.885 -4.900 -8.095 1.00 0.00 C ATOM 770 CG GLU B 34 -5.011 -5.313 -9.282 1.00 0.00 C ATOM 771 CD GLU B 34 -4.806 -6.828 -9.263 1.00 0.00 C ATOM 772 OE1 GLU B 34 -4.816 -7.394 -8.183 1.00 0.00 O ATOM 773 OE2 GLU B 34 -4.643 -7.398 -10.331 1.00 0.00 O ATOM 0 H GLU B 34 -3.776 -4.484 -6.715 1.00 0.00 H new ATOM 0 HA GLU B 34 -5.639 -2.744 -8.366 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -5.791 -5.624 -7.285 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -6.935 -4.882 -8.386 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -5.483 -5.011 -10.217 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -4.048 -4.805 -9.232 1.00 0.00 H new ATOM 780 N LYS B 35 -5.616 -3.265 -5.218 1.00 0.00 N ATOM 781 CA LYS B 35 -6.292 -2.834 -3.961 1.00 0.00 C ATOM 782 C LYS B 35 -5.528 -1.657 -3.347 1.00 0.00 C ATOM 783 O LYS B 35 -5.866 -1.164 -2.289 1.00 0.00 O ATOM 784 CB LYS B 35 -6.243 -4.052 -3.040 1.00 0.00 C ATOM 785 CG LYS B 35 -7.019 -5.206 -3.681 1.00 0.00 C ATOM 786 CD LYS B 35 -8.498 -4.832 -3.781 1.00 0.00 C ATOM 787 CE LYS B 35 -9.303 -6.049 -4.237 1.00 0.00 C ATOM 788 NZ LYS B 35 -10.727 -5.620 -4.149 1.00 0.00 N ATOM 0 H LYS B 35 -4.702 -3.699 -5.092 1.00 0.00 H new ATOM 0 HA LYS B 35 -7.317 -2.503 -4.128 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -5.209 -4.348 -2.865 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -6.673 -3.805 -2.069 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -6.619 -5.421 -4.672 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -6.901 -6.112 -3.087 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -8.862 -4.484 -2.814 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -8.629 -4.011 -4.486 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -9.040 -6.339 -5.254 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -9.110 -6.912 -3.600 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -11.344 -6.402 -4.446 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -10.950 -5.357 -3.168 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -10.882 -4.801 -4.771 1.00 0.00 H new ATOM 802 N ARG B 36 -4.502 -1.203 -4.014 1.00 0.00 N ATOM 803 CA ARG B 36 -3.709 -0.058 -3.491 1.00 0.00 C ATOM 804 C ARG B 36 -3.793 1.112 -4.472 1.00 0.00 C ATOM 805 O ARG B 36 -3.904 2.257 -4.080 1.00 0.00 O ATOM 806 CB ARG B 36 -2.277 -0.584 -3.386 1.00 0.00 C ATOM 807 CG ARG B 36 -2.213 -1.672 -2.309 1.00 0.00 C ATOM 808 CD ARG B 36 -2.936 -1.188 -1.051 1.00 0.00 C ATOM 809 NE ARG B 36 -2.660 -2.227 -0.018 1.00 0.00 N ATOM 810 CZ ARG B 36 -3.000 -2.021 1.226 1.00 0.00 C ATOM 811 NH1 ARG B 36 -4.236 -1.728 1.523 1.00 0.00 N ATOM 812 NH2 ARG B 36 -2.104 -2.106 2.171 1.00 0.00 N ATOM 0 H ARG B 36 -4.178 -1.580 -4.905 1.00 0.00 H new ATOM 0 HA ARG B 36 -4.072 0.305 -2.529 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -1.955 -0.987 -4.346 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -1.596 0.230 -3.137 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -2.674 -2.589 -2.676 1.00 0.00 H new ATOM 0 HG3 ARG B 36 -1.175 -1.908 -2.076 1.00 0.00 H new ATOM 0 HD2 ARG B 36 -2.568 -0.212 -0.736 1.00 0.00 H new ATOM 0 HD3 ARG B 36 -4.006 -1.083 -1.228 1.00 0.00 H new ATOM 0 HE ARG B 36 -2.205 -3.100 -0.283 1.00 0.00 H new ATOM 0 HH11 ARG B 36 -4.936 -1.660 0.784 1.00 0.00 H new ATOM 0 HH12 ARG B 36 -4.503 -1.567 2.494 1.00 0.00 H new ATOM 0 HH21 ARG B 36 -1.137 -2.333 1.938 1.00 0.00 H new ATOM 0 HH22 ARG B 36 -2.370 -1.945 3.142 1.00 0.00 H new ATOM 826 N ILE B 37 -3.760 0.833 -5.747 1.00 0.00 N ATOM 827 CA ILE B 37 -3.860 1.932 -6.745 1.00 0.00 C ATOM 828 C ILE B 37 -5.037 2.834 -6.374 1.00 0.00 C ATOM 829 O ILE B 37 -5.037 4.020 -6.636 1.00 0.00 O ATOM 830 CB ILE B 37 -4.113 1.239 -8.086 1.00 0.00 C ATOM 831 CG1 ILE B 37 -2.811 0.618 -8.596 1.00 0.00 C ATOM 832 CG2 ILE B 37 -4.622 2.264 -9.102 1.00 0.00 C ATOM 833 CD1 ILE B 37 -3.017 0.093 -10.020 1.00 0.00 C ATOM 0 H ILE B 37 -3.668 -0.105 -6.138 1.00 0.00 H new ATOM 0 HA ILE B 37 -2.965 2.552 -6.783 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.860 0.456 -7.954 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.013 1.360 -8.583 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -2.502 -0.195 -7.939 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -4.802 1.771 -10.057 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -5.551 2.705 -8.740 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -3.876 3.048 -9.233 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -2.089 -0.349 -10.383 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -3.803 -0.662 -10.019 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -3.306 0.916 -10.673 1.00 0.00 H new ATOM 845 N ALA B 38 -6.038 2.270 -5.754 1.00 0.00 N ATOM 846 CA ALA B 38 -7.221 3.079 -5.347 1.00 0.00 C ATOM 847 C ALA B 38 -6.776 4.264 -4.484 1.00 0.00 C ATOM 848 O ALA B 38 -7.322 5.345 -4.567 1.00 0.00 O ATOM 849 CB ALA B 38 -8.093 2.118 -4.536 1.00 0.00 C ATOM 0 H ALA B 38 -6.087 1.280 -5.511 1.00 0.00 H new ATOM 0 HA ALA B 38 -7.757 3.493 -6.201 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -8.989 2.638 -4.197 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -8.379 1.271 -5.160 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -7.533 1.759 -3.672 1.00 0.00 H new ATOM 855 N TYR B 39 -5.783 4.066 -3.658 1.00 0.00 N ATOM 856 CA TYR B 39 -5.297 5.179 -2.791 1.00 0.00 C ATOM 857 C TYR B 39 -4.516 6.195 -3.628 1.00 0.00 C ATOM 858 O TYR B 39 -4.891 7.346 -3.737 1.00 0.00 O ATOM 859 CB TYR B 39 -4.375 4.512 -1.771 1.00 0.00 C ATOM 860 CG TYR B 39 -3.948 5.526 -0.737 1.00 0.00 C ATOM 861 CD1 TYR B 39 -2.948 6.456 -1.039 1.00 0.00 C ATOM 862 CD2 TYR B 39 -4.554 5.533 0.526 1.00 0.00 C ATOM 863 CE1 TYR B 39 -2.551 7.395 -0.079 1.00 0.00 C ATOM 864 CE2 TYR B 39 -4.157 6.472 1.486 1.00 0.00 C ATOM 865 CZ TYR B 39 -3.156 7.404 1.184 1.00 0.00 C ATOM 866 OH TYR B 39 -2.765 8.328 2.131 1.00 0.00 O ATOM 0 H TYR B 39 -5.287 3.182 -3.546 1.00 0.00 H new ATOM 0 HA TYR B 39 -6.115 5.718 -2.313 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -4.890 3.681 -1.289 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -3.500 4.098 -2.272 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -2.482 6.450 -2.013 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -5.326 4.815 0.759 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -1.778 8.112 -0.313 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -4.623 6.478 2.460 1.00 0.00 H new ATOM 0 HH TYR B 39 -1.979 7.993 2.610 1.00 0.00 H new ATOM 876 N ALA B 40 -3.432 5.776 -4.219 1.00 0.00 N ATOM 877 CA ALA B 40 -2.620 6.712 -5.049 1.00 0.00 C ATOM 878 C ALA B 40 -3.476 7.316 -6.166 1.00 0.00 C ATOM 879 O ALA B 40 -3.114 8.307 -6.770 1.00 0.00 O ATOM 880 CB ALA B 40 -1.503 5.850 -5.638 1.00 0.00 C ATOM 0 H ALA B 40 -3.072 4.823 -4.163 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.230 7.546 -4.465 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -0.859 6.467 -6.264 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -0.915 5.415 -4.830 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -1.938 5.052 -6.240 1.00 0.00 H new ATOM 886 N LEU B 41 -4.607 6.728 -6.447 1.00 0.00 N ATOM 887 CA LEU B 41 -5.480 7.274 -7.526 1.00 0.00 C ATOM 888 C LEU B 41 -6.594 8.132 -6.922 1.00 0.00 C ATOM 889 O LEU B 41 -6.902 9.201 -7.411 1.00 0.00 O ATOM 890 CB LEU B 41 -6.064 6.046 -8.224 1.00 0.00 C ATOM 891 CG LEU B 41 -7.077 6.495 -9.279 1.00 0.00 C ATOM 892 CD1 LEU B 41 -6.366 6.681 -10.621 1.00 0.00 C ATOM 893 CD2 LEU B 41 -8.168 5.431 -9.424 1.00 0.00 C ATOM 0 H LEU B 41 -4.964 5.896 -5.978 1.00 0.00 H new ATOM 0 HA LEU B 41 -4.931 7.912 -8.219 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -5.268 5.467 -8.692 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -6.546 5.395 -7.495 1.00 0.00 H new ATOM 0 HG LEU B 41 -7.528 7.439 -8.972 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -7.087 7.001 -11.373 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -5.588 7.438 -10.519 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -5.916 5.737 -10.928 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -8.890 5.750 -10.176 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -7.717 4.487 -9.732 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -8.675 5.297 -8.468 1.00 0.00 H new ATOM 905 N LYS B 42 -7.201 7.673 -5.862 1.00 0.00 N ATOM 906 CA LYS B 42 -8.293 8.466 -5.230 1.00 0.00 C ATOM 907 C LYS B 42 -7.710 9.693 -4.524 1.00 0.00 C ATOM 908 O LYS B 42 -8.411 10.638 -4.218 1.00 0.00 O ATOM 909 CB LYS B 42 -8.938 7.519 -4.216 1.00 0.00 C ATOM 910 CG LYS B 42 -10.023 8.267 -3.439 1.00 0.00 C ATOM 911 CD LYS B 42 -10.471 7.421 -2.245 1.00 0.00 C ATOM 912 CE LYS B 42 -11.694 8.069 -1.591 1.00 0.00 C ATOM 913 NZ LYS B 42 -11.160 9.269 -0.888 1.00 0.00 N ATOM 0 H LYS B 42 -6.989 6.785 -5.407 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.015 8.831 -5.960 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -9.370 6.659 -4.729 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -8.183 7.135 -3.530 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -9.641 9.228 -3.094 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -10.872 8.476 -4.089 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -10.713 6.410 -2.572 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -9.660 7.336 -1.521 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -12.440 8.346 -2.336 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -12.178 7.385 -0.894 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -11.857 9.602 -0.191 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.275 9.021 -0.401 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -10.975 10.023 -1.580 1.00 0.00 H new ATOM 927 N ASN B 43 -6.431 9.687 -4.265 1.00 0.00 N ATOM 928 CA ASN B 43 -5.801 10.852 -3.581 1.00 0.00 C ATOM 929 C ASN B 43 -4.828 11.558 -4.530 1.00 0.00 C ATOM 930 O ASN B 43 -4.022 10.930 -5.187 1.00 0.00 O ATOM 931 CB ASN B 43 -5.051 10.252 -2.391 1.00 0.00 C ATOM 932 CG ASN B 43 -6.052 9.616 -1.425 1.00 0.00 C ATOM 933 OD1 ASN B 43 -6.985 10.260 -0.987 1.00 0.00 O ATOM 934 ND2 ASN B 43 -5.898 8.370 -1.072 1.00 0.00 N ATOM 0 H ASN B 43 -5.794 8.925 -4.498 1.00 0.00 H new ATOM 0 HA ASN B 43 -6.534 11.595 -3.268 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.338 9.504 -2.737 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -4.478 11.026 -1.880 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -6.560 7.937 -0.429 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -5.115 7.829 -1.439 1.00 0.00 H new ATOM 941 N GLY B 44 -4.898 12.859 -4.605 1.00 0.00 N ATOM 942 CA GLY B 44 -3.978 13.602 -5.512 1.00 0.00 C ATOM 943 C GLY B 44 -2.560 13.575 -4.937 1.00 0.00 C ATOM 944 O GLY B 44 -2.348 14.198 -3.909 1.00 0.00 O ATOM 945 OXT GLY B 44 -1.712 12.931 -5.532 1.00 0.00 O ATOM 0 H GLY B 44 -5.551 13.439 -4.078 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -3.988 13.152 -6.505 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -4.316 14.632 -5.626 1.00 0.00 H new TER 949 GLY B 44