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 -176:sc= -3.13! 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=-0.00616 USER MOD Single : B 24 SER OG : rot 177:sc= 0.0446 USER MOD Single : B 35 LYS NZ :NH3+ 178:sc= 0.0214 (180deg=0.0212) USER MOD Single : B 39 TYR OH : rot -87:sc= 0.054 USER MOD Single : B 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 43 ASN : amide:sc= -1.08 K(o=-1.1,f=-0.57) 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 0.309 3.519 -2.111 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 21.497 -9.748 -5.953 1.00 0.00 N ATOM 492 CA ASP B 19 21.316 -11.228 -5.920 1.00 0.00 C ATOM 493 C ASP B 19 20.367 -11.621 -4.784 1.00 0.00 C ATOM 494 O ASP B 19 20.743 -12.315 -3.860 1.00 0.00 O ATOM 495 CB ASP B 19 22.715 -11.791 -5.671 1.00 0.00 C ATOM 496 CG ASP B 19 23.258 -11.243 -4.349 1.00 0.00 C ATOM 497 OD1 ASP B 19 22.467 -10.733 -3.573 1.00 0.00 O ATOM 498 OD2 ASP B 19 24.455 -11.342 -4.136 1.00 0.00 O ATOM 0 HA ASP B 19 20.880 -11.612 -6.842 1.00 0.00 H new ATOM 0 HB2 ASP B 19 22.680 -12.880 -5.638 1.00 0.00 H new ATOM 0 HB3 ASP B 19 23.380 -11.518 -6.491 1.00 0.00 H new ATOM 505 N ARG B 20 19.140 -11.182 -4.846 1.00 0.00 N ATOM 506 CA ARG B 20 18.167 -11.531 -3.770 1.00 0.00 C ATOM 507 C ARG B 20 17.051 -12.416 -4.332 1.00 0.00 C ATOM 508 O ARG B 20 16.429 -12.091 -5.324 1.00 0.00 O ATOM 509 CB ARG B 20 17.603 -10.191 -3.297 1.00 0.00 C ATOM 510 CG ARG B 20 18.726 -9.356 -2.676 1.00 0.00 C ATOM 511 CD ARG B 20 18.144 -8.060 -2.110 1.00 0.00 C ATOM 512 NE ARG B 20 17.297 -8.492 -0.962 1.00 0.00 N ATOM 513 CZ ARG B 20 16.461 -7.653 -0.415 1.00 0.00 C ATOM 514 NH1 ARG B 20 16.839 -6.431 -0.155 1.00 0.00 N ATOM 515 NH2 ARG B 20 15.247 -8.035 -0.127 1.00 0.00 N ATOM 0 H ARG B 20 18.768 -10.597 -5.594 1.00 0.00 H new ATOM 0 HA ARG B 20 18.633 -12.087 -2.956 1.00 0.00 H new ATOM 0 HB2 ARG B 20 17.158 -9.655 -4.135 1.00 0.00 H new ATOM 0 HB3 ARG B 20 16.811 -10.355 -2.567 1.00 0.00 H new ATOM 0 HG2 ARG B 20 19.220 -9.921 -1.885 1.00 0.00 H new ATOM 0 HG3 ARG B 20 19.483 -9.130 -3.427 1.00 0.00 H new ATOM 0 HD2 ARG B 20 18.932 -7.381 -1.786 1.00 0.00 H new ATOM 0 HD3 ARG B 20 17.555 -7.531 -2.859 1.00 0.00 H new ATOM 0 HE ARG B 20 17.371 -9.444 -0.604 1.00 0.00 H new ATOM 0 HH11 ARG B 20 17.788 -6.132 -0.380 1.00 0.00 H new ATOM 0 HH12 ARG B 20 16.185 -5.775 0.273 1.00 0.00 H new ATOM 0 HH21 ARG B 20 14.951 -8.990 -0.330 1.00 0.00 H new ATOM 0 HH22 ARG B 20 14.594 -7.379 0.301 1.00 0.00 H new ATOM 529 N GLY B 21 16.793 -13.532 -3.707 1.00 0.00 N ATOM 530 CA GLY B 21 15.718 -14.435 -4.206 1.00 0.00 C ATOM 531 C GLY B 21 14.352 -13.832 -3.873 1.00 0.00 C ATOM 532 O GLY B 21 14.256 -12.755 -3.318 1.00 0.00 O ATOM 0 H GLY B 21 17.280 -13.857 -2.872 1.00 0.00 H new ATOM 0 HA2 GLY B 21 15.814 -14.572 -5.283 1.00 0.00 H new ATOM 0 HA3 GLY B 21 15.814 -15.420 -3.749 1.00 0.00 H new ATOM 536 N LEU B 22 13.293 -14.518 -4.207 1.00 0.00 N ATOM 537 CA LEU B 22 11.933 -13.983 -3.909 1.00 0.00 C ATOM 538 C LEU B 22 11.627 -14.124 -2.417 1.00 0.00 C ATOM 539 O LEU B 22 11.762 -15.185 -1.841 1.00 0.00 O ATOM 540 CB LEU B 22 10.979 -14.845 -4.737 1.00 0.00 C ATOM 541 CG LEU B 22 9.558 -14.288 -4.620 1.00 0.00 C ATOM 542 CD1 LEU B 22 8.713 -14.801 -5.787 1.00 0.00 C ATOM 543 CD2 LEU B 22 8.937 -14.748 -3.299 1.00 0.00 C ATOM 0 H LEU B 22 13.310 -15.425 -4.673 1.00 0.00 H new ATOM 0 HA LEU B 22 11.841 -12.925 -4.153 1.00 0.00 H new ATOM 0 HB2 LEU B 22 11.293 -14.854 -5.781 1.00 0.00 H new ATOM 0 HB3 LEU B 22 11.007 -15.877 -4.387 1.00 0.00 H new ATOM 0 HG LEU B 22 9.591 -13.199 -4.646 1.00 0.00 H new ATOM 0 HD11 LEU B 22 7.701 -14.405 -5.705 1.00 0.00 H new ATOM 0 HD12 LEU B 22 9.155 -14.474 -6.728 1.00 0.00 H new ATOM 0 HD13 LEU B 22 8.680 -15.890 -5.761 1.00 0.00 H new ATOM 0 HD21 LEU B 22 7.925 -14.352 -3.215 1.00 0.00 H new ATOM 0 HD22 LEU B 22 8.903 -15.837 -3.273 1.00 0.00 H new ATOM 0 HD23 LEU B 22 9.540 -14.383 -2.467 1.00 0.00 H new ATOM 555 N THR B 23 11.215 -13.059 -1.785 1.00 0.00 N ATOM 556 CA THR B 23 10.901 -13.131 -0.329 1.00 0.00 C ATOM 557 C THR B 23 9.413 -12.858 -0.094 1.00 0.00 C ATOM 558 O THR B 23 8.707 -12.415 -0.978 1.00 0.00 O ATOM 559 CB THR B 23 11.755 -12.038 0.315 1.00 0.00 C ATOM 560 OG1 THR B 23 11.375 -10.774 -0.210 1.00 0.00 O ATOM 561 CG2 THR B 23 13.231 -12.296 0.012 1.00 0.00 C ATOM 0 H THR B 23 11.082 -12.143 -2.213 1.00 0.00 H new ATOM 0 HA THR B 23 11.113 -14.114 0.091 1.00 0.00 H new ATOM 0 HB THR B 23 11.603 -12.045 1.394 1.00 0.00 H new ATOM 0 HG1 THR B 23 11.920 -10.071 0.202 1.00 0.00 H new ATOM 0 HG21 THR B 23 13.838 -11.516 0.472 1.00 0.00 H new ATOM 0 HG22 THR B 23 13.521 -13.267 0.415 1.00 0.00 H new ATOM 0 HG23 THR B 23 13.388 -12.289 -1.067 1.00 0.00 H new ATOM 569 N SER B 24 8.932 -13.118 1.090 1.00 0.00 N ATOM 570 CA SER B 24 7.489 -12.872 1.379 1.00 0.00 C ATOM 571 C SER B 24 7.093 -11.467 0.920 1.00 0.00 C ATOM 572 O SER B 24 5.975 -11.231 0.506 1.00 0.00 O ATOM 573 CB SER B 24 7.364 -12.997 2.898 1.00 0.00 C ATOM 574 OG SER B 24 8.011 -11.897 3.519 1.00 0.00 O ATOM 0 H SER B 24 9.474 -13.490 1.870 1.00 0.00 H new ATOM 0 HA SER B 24 6.836 -13.572 0.858 1.00 0.00 H new ATOM 0 HB2 SER B 24 6.313 -13.024 3.186 1.00 0.00 H new ATOM 0 HB3 SER B 24 7.811 -13.933 3.234 1.00 0.00 H new ATOM 0 HG SER B 24 7.885 -11.949 4.490 1.00 0.00 H new ATOM 580 N ARG B 25 8.002 -10.533 0.989 1.00 0.00 N ATOM 581 CA ARG B 25 7.676 -9.145 0.554 1.00 0.00 C ATOM 582 C ARG B 25 7.270 -9.135 -0.922 1.00 0.00 C ATOM 583 O ARG B 25 6.470 -8.326 -1.350 1.00 0.00 O ATOM 584 CB ARG B 25 8.967 -8.352 0.760 1.00 0.00 C ATOM 585 CG ARG B 25 9.283 -8.271 2.255 1.00 0.00 C ATOM 586 CD ARG B 25 10.523 -7.399 2.466 1.00 0.00 C ATOM 587 NE ARG B 25 10.851 -7.543 3.912 1.00 0.00 N ATOM 588 CZ ARG B 25 11.471 -6.581 4.539 1.00 0.00 C ATOM 589 NH1 ARG B 25 11.003 -5.365 4.496 1.00 0.00 N ATOM 590 NH2 ARG B 25 12.561 -6.837 5.210 1.00 0.00 N ATOM 0 H ARG B 25 8.954 -10.670 1.327 1.00 0.00 H new ATOM 0 HA ARG B 25 6.843 -8.721 1.115 1.00 0.00 H new ATOM 0 HB2 ARG B 25 9.789 -8.831 0.229 1.00 0.00 H new ATOM 0 HB3 ARG B 25 8.861 -7.350 0.345 1.00 0.00 H new ATOM 0 HG2 ARG B 25 8.434 -7.852 2.795 1.00 0.00 H new ATOM 0 HG3 ARG B 25 9.455 -9.270 2.656 1.00 0.00 H new ATOM 0 HD2 ARG B 25 11.350 -7.730 1.838 1.00 0.00 H new ATOM 0 HD3 ARG B 25 10.323 -6.359 2.208 1.00 0.00 H new ATOM 0 HE ARG B 25 10.591 -8.393 4.412 1.00 0.00 H new ATOM 0 HH11 ARG B 25 10.151 -5.165 3.972 1.00 0.00 H new ATOM 0 HH12 ARG B 25 11.489 -4.614 4.987 1.00 0.00 H new ATOM 0 HH21 ARG B 25 12.927 -7.788 5.244 1.00 0.00 H new ATOM 0 HH22 ARG B 25 13.046 -6.086 5.700 1.00 0.00 H new ATOM 604 N ASP B 26 7.813 -10.028 -1.703 1.00 0.00 N ATOM 605 CA ASP B 26 7.455 -10.067 -3.151 1.00 0.00 C ATOM 606 C ASP B 26 5.958 -10.339 -3.314 1.00 0.00 C ATOM 607 O ASP B 26 5.266 -9.644 -4.031 1.00 0.00 O ATOM 608 CB ASP B 26 8.278 -11.216 -3.733 1.00 0.00 C ATOM 609 CG ASP B 26 8.351 -11.070 -5.254 1.00 0.00 C ATOM 610 OD1 ASP B 26 7.389 -10.588 -5.830 1.00 0.00 O ATOM 611 OD2 ASP B 26 9.366 -11.443 -5.818 1.00 0.00 O ATOM 0 H ASP B 26 8.488 -10.731 -1.403 1.00 0.00 H new ATOM 0 HA ASP B 26 7.664 -9.124 -3.656 1.00 0.00 H new ATOM 0 HB2 ASP B 26 9.282 -11.211 -3.308 1.00 0.00 H new ATOM 0 HB3 ASP B 26 7.825 -12.172 -3.470 1.00 0.00 H new ATOM 616 N ARG B 27 5.449 -11.340 -2.652 1.00 0.00 N ATOM 617 CA ARG B 27 3.995 -11.644 -2.769 1.00 0.00 C ATOM 618 C ARG B 27 3.178 -10.444 -2.287 1.00 0.00 C ATOM 619 O ARG B 27 2.289 -9.974 -2.968 1.00 0.00 O ATOM 620 CB ARG B 27 3.770 -12.856 -1.865 1.00 0.00 C ATOM 621 CG ARG B 27 4.559 -14.047 -2.412 1.00 0.00 C ATOM 622 CD ARG B 27 3.936 -14.507 -3.731 1.00 0.00 C ATOM 623 NE ARG B 27 4.775 -15.658 -4.169 1.00 0.00 N ATOM 624 CZ ARG B 27 4.449 -16.333 -5.237 1.00 0.00 C ATOM 625 NH1 ARG B 27 3.948 -15.717 -6.273 1.00 0.00 N ATOM 626 NH2 ARG B 27 4.624 -17.627 -5.269 1.00 0.00 N ATOM 0 H ARG B 27 5.975 -11.960 -2.036 1.00 0.00 H new ATOM 0 HA ARG B 27 3.688 -11.848 -3.795 1.00 0.00 H new ATOM 0 HB2 ARG B 27 4.089 -12.630 -0.848 1.00 0.00 H new ATOM 0 HB3 ARG B 27 2.708 -13.098 -1.819 1.00 0.00 H new ATOM 0 HG2 ARG B 27 5.601 -13.767 -2.568 1.00 0.00 H new ATOM 0 HG3 ARG B 27 4.553 -14.864 -1.690 1.00 0.00 H new ATOM 0 HD2 ARG B 27 2.896 -14.805 -3.594 1.00 0.00 H new ATOM 0 HD3 ARG B 27 3.944 -13.708 -4.472 1.00 0.00 H new ATOM 0 HE ARG B 27 5.604 -15.918 -3.634 1.00 0.00 H new ATOM 0 HH11 ARG B 27 3.811 -14.707 -6.248 1.00 0.00 H new ATOM 0 HH12 ARG B 27 3.694 -16.246 -7.107 1.00 0.00 H new ATOM 0 HH21 ARG B 27 5.015 -18.109 -4.460 1.00 0.00 H new ATOM 0 HH22 ARG B 27 4.369 -18.156 -6.103 1.00 0.00 H new ATOM 640 N ARG B 28 3.481 -9.934 -1.123 1.00 0.00 N ATOM 641 CA ARG B 28 2.728 -8.753 -0.614 1.00 0.00 C ATOM 642 C ARG B 28 2.931 -7.574 -1.565 1.00 0.00 C ATOM 643 O ARG B 28 2.040 -6.780 -1.789 1.00 0.00 O ATOM 644 CB ARG B 28 3.336 -8.439 0.754 1.00 0.00 C ATOM 645 CG ARG B 28 2.837 -9.449 1.788 1.00 0.00 C ATOM 646 CD ARG B 28 1.322 -9.309 1.958 1.00 0.00 C ATOM 647 NE ARG B 28 1.093 -7.870 2.280 1.00 0.00 N ATOM 648 CZ ARG B 28 0.260 -7.168 1.563 1.00 0.00 C ATOM 649 NH1 ARG B 28 -0.749 -7.752 0.975 1.00 0.00 N ATOM 650 NH2 ARG B 28 0.431 -5.882 1.435 1.00 0.00 N ATOM 0 H ARG B 28 4.214 -10.283 -0.506 1.00 0.00 H new ATOM 0 HA ARG B 28 1.657 -8.944 -0.542 1.00 0.00 H new ATOM 0 HB2 ARG B 28 4.424 -8.473 0.695 1.00 0.00 H new ATOM 0 HB3 ARG B 28 3.065 -7.428 1.059 1.00 0.00 H new ATOM 0 HG2 ARG B 28 3.085 -10.462 1.470 1.00 0.00 H new ATOM 0 HG3 ARG B 28 3.336 -9.283 2.743 1.00 0.00 H new ATOM 0 HD2 ARG B 28 0.796 -9.597 1.048 1.00 0.00 H new ATOM 0 HD3 ARG B 28 0.955 -9.954 2.756 1.00 0.00 H new ATOM 0 HE ARG B 28 1.587 -7.436 3.060 1.00 0.00 H new ATOM 0 HH11 ARG B 28 -0.886 -8.758 1.076 1.00 0.00 H new ATOM 0 HH12 ARG B 28 -1.400 -7.203 0.414 1.00 0.00 H new ATOM 0 HH21 ARG B 28 1.217 -5.424 1.896 1.00 0.00 H new ATOM 0 HH22 ARG B 28 -0.221 -5.334 0.874 1.00 0.00 H new ATOM 664 N ARG B 29 4.104 -7.460 -2.129 1.00 0.00 N ATOM 665 CA ARG B 29 4.375 -6.336 -3.068 1.00 0.00 C ATOM 666 C ARG B 29 3.276 -6.256 -4.129 1.00 0.00 C ATOM 667 O ARG B 29 2.834 -5.184 -4.495 1.00 0.00 O ATOM 668 CB ARG B 29 5.720 -6.676 -3.712 1.00 0.00 C ATOM 669 CG ARG B 29 6.819 -5.824 -3.075 1.00 0.00 C ATOM 670 CD ARG B 29 8.052 -5.822 -3.981 1.00 0.00 C ATOM 671 NE ARG B 29 7.900 -4.605 -4.827 1.00 0.00 N ATOM 672 CZ ARG B 29 8.858 -4.250 -5.638 1.00 0.00 C ATOM 673 NH1 ARG B 29 9.468 -3.109 -5.469 1.00 0.00 N ATOM 674 NH2 ARG B 29 9.207 -5.037 -6.619 1.00 0.00 N ATOM 0 H ARG B 29 4.886 -8.098 -1.979 1.00 0.00 H new ATOM 0 HA ARG B 29 4.397 -5.371 -2.562 1.00 0.00 H new ATOM 0 HB2 ARG B 29 5.942 -7.735 -3.578 1.00 0.00 H new ATOM 0 HB3 ARG B 29 5.678 -6.492 -4.786 1.00 0.00 H new ATOM 0 HG2 ARG B 29 6.463 -4.805 -2.925 1.00 0.00 H new ATOM 0 HG3 ARG B 29 7.077 -6.219 -2.093 1.00 0.00 H new ATOM 0 HD2 ARG B 29 8.972 -5.786 -3.397 1.00 0.00 H new ATOM 0 HD3 ARG B 29 8.097 -6.725 -4.591 1.00 0.00 H new ATOM 0 HE ARG B 29 7.046 -4.049 -4.772 1.00 0.00 H new ATOM 0 HH11 ARG B 29 9.196 -2.494 -4.702 1.00 0.00 H new ATOM 0 HH12 ARG B 29 10.217 -2.832 -6.104 1.00 0.00 H new ATOM 0 HH21 ARG B 29 8.731 -5.929 -6.751 1.00 0.00 H new ATOM 0 HH22 ARG B 29 9.956 -4.760 -7.253 1.00 0.00 H new ATOM 688 N ILE B 30 2.828 -7.377 -4.629 1.00 0.00 N ATOM 689 CA ILE B 30 1.758 -7.343 -5.665 1.00 0.00 C ATOM 690 C ILE B 30 0.391 -7.148 -5.011 1.00 0.00 C ATOM 691 O ILE B 30 -0.393 -6.329 -5.435 1.00 0.00 O ATOM 692 CB ILE B 30 1.816 -8.688 -6.376 1.00 0.00 C ATOM 693 CG1 ILE B 30 3.221 -8.911 -6.941 1.00 0.00 C ATOM 694 CG2 ILE B 30 0.797 -8.680 -7.514 1.00 0.00 C ATOM 695 CD1 ILE B 30 3.343 -10.349 -7.451 1.00 0.00 C ATOM 0 H ILE B 30 3.154 -8.307 -4.367 1.00 0.00 H new ATOM 0 HA ILE B 30 1.905 -6.517 -6.361 1.00 0.00 H new ATOM 0 HB ILE B 30 1.586 -9.491 -5.676 1.00 0.00 H new ATOM 0 HG12 ILE B 30 3.414 -8.209 -7.752 1.00 0.00 H new ATOM 0 HG13 ILE B 30 3.969 -8.722 -6.171 1.00 0.00 H new ATOM 0 HG21 ILE B 30 0.825 -9.637 -8.035 1.00 0.00 H new ATOM 0 HG22 ILE B 30 -0.201 -8.517 -7.107 1.00 0.00 H new ATOM 0 HG23 ILE B 30 1.039 -7.880 -8.213 1.00 0.00 H new ATOM 0 HD11 ILE B 30 4.343 -10.509 -7.854 1.00 0.00 H new ATOM 0 HD12 ILE B 30 3.168 -11.043 -6.629 1.00 0.00 H new ATOM 0 HD13 ILE B 30 2.605 -10.521 -8.234 1.00 0.00 H new ATOM 707 N ALA B 31 0.089 -7.884 -3.978 1.00 0.00 N ATOM 708 CA ALA B 31 -1.234 -7.690 -3.327 1.00 0.00 C ATOM 709 C ALA B 31 -1.439 -6.195 -3.104 1.00 0.00 C ATOM 710 O ALA B 31 -2.549 -5.701 -3.064 1.00 0.00 O ATOM 711 CB ALA B 31 -1.147 -8.439 -1.995 1.00 0.00 C ATOM 0 H ALA B 31 0.688 -8.598 -3.564 1.00 0.00 H new ATOM 0 HA ALA B 31 -2.069 -8.060 -3.922 1.00 0.00 H new ATOM 0 HB1 ALA B 31 -2.091 -8.339 -1.459 1.00 0.00 H new ATOM 0 HB2 ALA B 31 -0.947 -9.494 -2.183 1.00 0.00 H new ATOM 0 HB3 ALA B 31 -0.342 -8.018 -1.393 1.00 0.00 H new ATOM 717 N ARG B 32 -0.360 -5.469 -2.990 1.00 0.00 N ATOM 718 CA ARG B 32 -0.459 -3.998 -2.806 1.00 0.00 C ATOM 719 C ARG B 32 -0.624 -3.342 -4.178 1.00 0.00 C ATOM 720 O ARG B 32 -1.245 -2.308 -4.316 1.00 0.00 O ATOM 721 CB ARG B 32 0.861 -3.593 -2.149 1.00 0.00 C ATOM 722 CG ARG B 32 1.030 -4.373 -0.842 1.00 0.00 C ATOM 723 CD ARG B 32 2.509 -4.422 -0.455 1.00 0.00 C ATOM 724 NE ARG B 32 2.987 -3.018 -0.589 1.00 0.00 N ATOM 725 CZ ARG B 32 4.230 -2.726 -0.329 1.00 0.00 C ATOM 726 NH1 ARG B 32 4.946 -3.522 0.419 1.00 0.00 N ATOM 727 NH2 ARG B 32 4.759 -1.639 -0.816 1.00 0.00 N ATOM 0 H ARG B 32 0.591 -5.837 -3.017 1.00 0.00 H new ATOM 0 HA ARG B 32 -1.308 -3.692 -2.195 1.00 0.00 H new ATOM 0 HB2 ARG B 32 1.694 -3.800 -2.821 1.00 0.00 H new ATOM 0 HB3 ARG B 32 0.869 -2.521 -1.951 1.00 0.00 H new ATOM 0 HG2 ARG B 32 0.452 -3.900 -0.048 1.00 0.00 H new ATOM 0 HG3 ARG B 32 0.642 -5.385 -0.959 1.00 0.00 H new ATOM 0 HD2 ARG B 32 2.639 -4.788 0.563 1.00 0.00 H new ATOM 0 HD3 ARG B 32 3.066 -5.093 -1.108 1.00 0.00 H new ATOM 0 HE ARG B 32 2.342 -2.285 -0.884 1.00 0.00 H new ATOM 0 HH11 ARG B 32 4.532 -4.373 0.800 1.00 0.00 H new ATOM 0 HH12 ARG B 32 5.919 -3.293 0.622 1.00 0.00 H new ATOM 0 HH21 ARG B 32 4.200 -1.017 -1.400 1.00 0.00 H new ATOM 0 HH22 ARG B 32 5.732 -1.410 -0.613 1.00 0.00 H new ATOM 741 N TRP B 33 -0.094 -3.961 -5.203 1.00 0.00 N ATOM 742 CA TRP B 33 -0.245 -3.402 -6.577 1.00 0.00 C ATOM 743 C TRP B 33 -1.727 -3.170 -6.851 1.00 0.00 C ATOM 744 O TRP B 33 -2.106 -2.395 -7.706 1.00 0.00 O ATOM 745 CB TRP B 33 0.300 -4.487 -7.515 1.00 0.00 C ATOM 746 CG TRP B 33 -0.051 -4.148 -8.927 1.00 0.00 C ATOM 747 CD1 TRP B 33 0.471 -3.119 -9.616 1.00 0.00 C ATOM 748 CD2 TRP B 33 -0.984 -4.814 -9.830 1.00 0.00 C ATOM 749 NE1 TRP B 33 -0.076 -3.100 -10.887 1.00 0.00 N ATOM 750 CE2 TRP B 33 -0.980 -4.126 -11.067 1.00 0.00 C ATOM 751 CE3 TRP B 33 -1.823 -5.935 -9.699 1.00 0.00 C ATOM 752 CZ2 TRP B 33 -1.780 -4.533 -12.135 1.00 0.00 C ATOM 753 CZ3 TRP B 33 -2.630 -6.346 -10.771 1.00 0.00 C ATOM 754 CH2 TRP B 33 -2.609 -5.649 -11.986 1.00 0.00 C ATOM 0 H TRP B 33 0.437 -4.830 -5.145 1.00 0.00 H new ATOM 0 HA TRP B 33 0.279 -2.456 -6.710 1.00 0.00 H new ATOM 0 HB2 TRP B 33 1.382 -4.566 -7.407 1.00 0.00 H new ATOM 0 HB3 TRP B 33 -0.119 -5.457 -7.248 1.00 0.00 H new ATOM 0 HD1 TRP B 33 1.201 -2.419 -9.238 1.00 0.00 H new ATOM 0 HE1 TRP B 33 0.160 -2.412 -11.602 1.00 0.00 H new ATOM 0 HE3 TRP B 33 -1.846 -6.483 -8.768 1.00 0.00 H new ATOM 0 HZ2 TRP B 33 -1.759 -3.991 -13.069 1.00 0.00 H new ATOM 0 HZ3 TRP B 33 -3.273 -7.207 -10.658 1.00 0.00 H new ATOM 0 HH2 TRP B 33 -3.232 -5.973 -12.806 1.00 0.00 H new ATOM 765 N GLU B 34 -2.563 -3.853 -6.124 1.00 0.00 N ATOM 766 CA GLU B 34 -4.028 -3.707 -6.315 1.00 0.00 C ATOM 767 C GLU B 34 -4.628 -2.908 -5.155 1.00 0.00 C ATOM 768 O GLU B 34 -5.694 -2.337 -5.267 1.00 0.00 O ATOM 769 CB GLU B 34 -4.540 -5.144 -6.329 1.00 0.00 C ATOM 770 CG GLU B 34 -3.854 -5.894 -7.471 1.00 0.00 C ATOM 771 CD GLU B 34 -3.558 -7.331 -7.035 1.00 0.00 C ATOM 772 OE1 GLU B 34 -3.919 -7.678 -5.923 1.00 0.00 O ATOM 773 OE2 GLU B 34 -2.974 -8.058 -7.821 1.00 0.00 O ATOM 0 H GLU B 34 -2.289 -4.514 -5.397 1.00 0.00 H new ATOM 0 HA GLU B 34 -4.297 -3.170 -7.224 1.00 0.00 H new ATOM 0 HB2 GLU B 34 -4.329 -5.630 -5.376 1.00 0.00 H new ATOM 0 HB3 GLU B 34 -5.622 -5.159 -6.462 1.00 0.00 H new ATOM 0 HG2 GLU B 34 -4.493 -5.895 -8.354 1.00 0.00 H new ATOM 0 HG3 GLU B 34 -2.928 -5.389 -7.747 1.00 0.00 H new ATOM 780 N LYS B 35 -3.940 -2.852 -4.048 1.00 0.00 N ATOM 781 CA LYS B 35 -4.457 -2.075 -2.886 1.00 0.00 C ATOM 782 C LYS B 35 -3.829 -0.679 -2.891 1.00 0.00 C ATOM 783 O LYS B 35 -4.309 0.234 -2.251 1.00 0.00 O ATOM 784 CB LYS B 35 -4.016 -2.859 -1.649 1.00 0.00 C ATOM 785 CG LYS B 35 -4.795 -4.173 -1.572 1.00 0.00 C ATOM 786 CD LYS B 35 -4.506 -4.858 -0.235 1.00 0.00 C ATOM 787 CE LYS B 35 -5.297 -6.165 -0.148 1.00 0.00 C ATOM 788 NZ LYS B 35 -4.795 -6.833 1.087 1.00 0.00 N ATOM 0 H LYS B 35 -3.042 -3.311 -3.898 1.00 0.00 H new ATOM 0 HA LYS B 35 -5.539 -1.949 -2.913 1.00 0.00 H new ATOM 0 HB2 LYS B 35 -2.946 -3.061 -1.696 1.00 0.00 H new ATOM 0 HB3 LYS B 35 -4.190 -2.268 -0.750 1.00 0.00 H new ATOM 0 HG2 LYS B 35 -5.863 -3.981 -1.671 1.00 0.00 H new ATOM 0 HG3 LYS B 35 -4.510 -4.826 -2.397 1.00 0.00 H new ATOM 0 HD2 LYS B 35 -3.439 -5.060 -0.141 1.00 0.00 H new ATOM 0 HD3 LYS B 35 -4.780 -4.200 0.589 1.00 0.00 H new ATOM 0 HE2 LYS B 35 -6.369 -5.975 -0.087 1.00 0.00 H new ATOM 0 HE3 LYS B 35 -5.133 -6.786 -1.028 1.00 0.00 H new ATOM 0 HZ1 LYS B 35 -5.313 -7.722 1.236 1.00 0.00 H new ATOM 0 HZ2 LYS B 35 -3.780 -7.037 0.983 1.00 0.00 H new ATOM 0 HZ3 LYS B 35 -4.941 -6.206 1.904 1.00 0.00 H new ATOM 802 N ARG B 36 -2.758 -0.513 -3.619 1.00 0.00 N ATOM 803 CA ARG B 36 -2.089 0.817 -3.683 1.00 0.00 C ATOM 804 C ARG B 36 -2.748 1.677 -4.764 1.00 0.00 C ATOM 805 O ARG B 36 -3.022 2.844 -4.564 1.00 0.00 O ATOM 806 CB ARG B 36 -0.635 0.509 -4.049 1.00 0.00 C ATOM 807 CG ARG B 36 0.043 1.774 -4.581 1.00 0.00 C ATOM 808 CD ARG B 36 1.458 1.435 -5.051 1.00 0.00 C ATOM 809 NE ARG B 36 1.280 0.866 -6.415 1.00 0.00 N ATOM 810 CZ ARG B 36 2.301 0.358 -7.049 1.00 0.00 C ATOM 811 NH1 ARG B 36 2.848 1.013 -8.036 1.00 0.00 N ATOM 812 NH2 ARG B 36 2.774 -0.805 -6.694 1.00 0.00 N ATOM 0 H ARG B 36 -2.316 -1.245 -4.175 1.00 0.00 H new ATOM 0 HA ARG B 36 -2.162 1.369 -2.746 1.00 0.00 H new ATOM 0 HB2 ARG B 36 -0.100 0.139 -3.174 1.00 0.00 H new ATOM 0 HB3 ARG B 36 -0.598 -0.279 -4.802 1.00 0.00 H new ATOM 0 HG2 ARG B 36 -0.536 2.190 -5.406 1.00 0.00 H new ATOM 0 HG3 ARG B 36 0.080 2.535 -3.801 1.00 0.00 H new ATOM 0 HD2 ARG B 36 2.091 2.322 -5.072 1.00 0.00 H new ATOM 0 HD3 ARG B 36 1.936 0.718 -4.383 1.00 0.00 H new ATOM 0 HE ARG B 36 0.359 0.873 -6.854 1.00 0.00 H new ATOM 0 HH11 ARG B 36 2.477 1.922 -8.312 1.00 0.00 H new ATOM 0 HH12 ARG B 36 3.646 0.616 -8.531 1.00 0.00 H new ATOM 0 HH21 ARG B 36 2.346 -1.316 -5.922 1.00 0.00 H new ATOM 0 HH22 ARG B 36 3.572 -1.204 -7.189 1.00 0.00 H new ATOM 826 N ILE B 37 -3.004 1.106 -5.909 1.00 0.00 N ATOM 827 CA ILE B 37 -3.647 1.888 -7.003 1.00 0.00 C ATOM 828 C ILE B 37 -4.802 2.722 -6.442 1.00 0.00 C ATOM 829 O ILE B 37 -4.903 3.905 -6.694 1.00 0.00 O ATOM 830 CB ILE B 37 -4.169 0.841 -7.987 1.00 0.00 C ATOM 831 CG1 ILE B 37 -2.989 0.148 -8.668 1.00 0.00 C ATOM 832 CG2 ILE B 37 -5.039 1.525 -9.043 1.00 0.00 C ATOM 833 CD1 ILE B 37 -3.511 -0.913 -9.640 1.00 0.00 C ATOM 0 H ILE B 37 -2.796 0.133 -6.134 1.00 0.00 H new ATOM 0 HA ILE B 37 -2.954 2.581 -7.479 1.00 0.00 H new ATOM 0 HB ILE B 37 -4.763 0.101 -7.450 1.00 0.00 H new ATOM 0 HG12 ILE B 37 -2.383 0.880 -9.203 1.00 0.00 H new ATOM 0 HG13 ILE B 37 -2.344 -0.314 -7.920 1.00 0.00 H new ATOM 0 HG21 ILE B 37 -5.412 0.780 -9.745 1.00 0.00 H new ATOM 0 HG22 ILE B 37 -5.880 2.019 -8.557 1.00 0.00 H new ATOM 0 HG23 ILE B 37 -4.445 2.265 -9.580 1.00 0.00 H new ATOM 0 HD11 ILE B 37 -2.669 -1.407 -10.126 1.00 0.00 H new ATOM 0 HD12 ILE B 37 -4.098 -1.650 -9.093 1.00 0.00 H new ATOM 0 HD13 ILE B 37 -4.138 -0.438 -10.395 1.00 0.00 H new ATOM 845 N ALA B 38 -5.672 2.115 -5.683 1.00 0.00 N ATOM 846 CA ALA B 38 -6.816 2.877 -5.107 1.00 0.00 C ATOM 847 C ALA B 38 -6.330 4.215 -4.544 1.00 0.00 C ATOM 848 O ALA B 38 -6.762 5.271 -4.962 1.00 0.00 O ATOM 849 CB ALA B 38 -7.360 1.990 -3.986 1.00 0.00 C ATOM 0 H ALA B 38 -5.641 1.126 -5.437 1.00 0.00 H new ATOM 0 HA ALA B 38 -7.578 3.104 -5.853 1.00 0.00 H new ATOM 0 HB1 ALA B 38 -8.208 2.483 -3.511 1.00 0.00 H new ATOM 0 HB2 ALA B 38 -7.682 1.035 -4.401 1.00 0.00 H new ATOM 0 HB3 ALA B 38 -6.578 1.819 -3.246 1.00 0.00 H new ATOM 855 N TYR B 39 -5.431 4.178 -3.598 1.00 0.00 N ATOM 856 CA TYR B 39 -4.914 5.447 -3.008 1.00 0.00 C ATOM 857 C TYR B 39 -4.328 6.340 -4.105 1.00 0.00 C ATOM 858 O TYR B 39 -4.788 7.440 -4.335 1.00 0.00 O ATOM 859 CB TYR B 39 -3.825 5.011 -2.028 1.00 0.00 C ATOM 860 CG TYR B 39 -3.393 6.193 -1.194 1.00 0.00 C ATOM 861 CD1 TYR B 39 -2.571 7.180 -1.749 1.00 0.00 C ATOM 862 CD2 TYR B 39 -3.814 6.301 0.137 1.00 0.00 C ATOM 863 CE1 TYR B 39 -2.171 8.276 -0.975 1.00 0.00 C ATOM 864 CE2 TYR B 39 -3.413 7.395 0.912 1.00 0.00 C ATOM 865 CZ TYR B 39 -2.591 8.383 0.356 1.00 0.00 C ATOM 866 OH TYR B 39 -2.196 9.462 1.120 1.00 0.00 O ATOM 0 H TYR B 39 -5.032 3.324 -3.208 1.00 0.00 H new ATOM 0 HA TYR B 39 -5.697 6.025 -2.516 1.00 0.00 H new ATOM 0 HB2 TYR B 39 -4.199 4.215 -1.384 1.00 0.00 H new ATOM 0 HB3 TYR B 39 -2.972 4.606 -2.573 1.00 0.00 H new ATOM 0 HD1 TYR B 39 -2.245 7.096 -2.775 1.00 0.00 H new ATOM 0 HD2 TYR B 39 -4.449 5.540 0.566 1.00 0.00 H new ATOM 0 HE1 TYR B 39 -1.539 9.039 -1.405 1.00 0.00 H new ATOM 0 HE2 TYR B 39 -3.737 7.477 1.939 1.00 0.00 H new ATOM 0 HH TYR B 39 -1.330 9.268 1.537 1.00 0.00 H new ATOM 876 N ALA B 40 -3.315 5.874 -4.782 1.00 0.00 N ATOM 877 CA ALA B 40 -2.698 6.696 -5.864 1.00 0.00 C ATOM 878 C ALA B 40 -3.727 6.995 -6.959 1.00 0.00 C ATOM 879 O ALA B 40 -3.516 7.837 -7.809 1.00 0.00 O ATOM 880 CB ALA B 40 -1.562 5.836 -6.417 1.00 0.00 C ATOM 0 H ALA B 40 -2.887 4.960 -4.634 1.00 0.00 H new ATOM 0 HA ALA B 40 -2.340 7.658 -5.496 1.00 0.00 H new ATOM 0 HB1 ALA B 40 -1.057 6.373 -7.220 1.00 0.00 H new ATOM 0 HB2 ALA B 40 -0.849 5.619 -5.621 1.00 0.00 H new ATOM 0 HB3 ALA B 40 -1.968 4.902 -6.805 1.00 0.00 H new ATOM 886 N LEU B 41 -4.839 6.310 -6.945 1.00 0.00 N ATOM 887 CA LEU B 41 -5.878 6.554 -7.985 1.00 0.00 C ATOM 888 C LEU B 41 -6.949 7.509 -7.449 1.00 0.00 C ATOM 889 O LEU B 41 -7.468 8.341 -8.166 1.00 0.00 O ATOM 890 CB LEU B 41 -6.480 5.178 -8.275 1.00 0.00 C ATOM 891 CG LEU B 41 -7.688 5.331 -9.203 1.00 0.00 C ATOM 892 CD1 LEU B 41 -7.257 5.085 -10.650 1.00 0.00 C ATOM 893 CD2 LEU B 41 -8.760 4.312 -8.812 1.00 0.00 C ATOM 0 H LEU B 41 -5.072 5.593 -6.258 1.00 0.00 H new ATOM 0 HA LEU B 41 -5.464 7.014 -8.882 1.00 0.00 H new ATOM 0 HB2 LEU B 41 -5.733 4.533 -8.738 1.00 0.00 H new ATOM 0 HB3 LEU B 41 -6.782 4.699 -7.344 1.00 0.00 H new ATOM 0 HG LEU B 41 -8.091 6.340 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU B 41 -8.118 5.194 -11.310 1.00 0.00 H new ATOM 0 HD12 LEU B 41 -6.491 5.809 -10.930 1.00 0.00 H new ATOM 0 HD13 LEU B 41 -6.854 4.076 -10.743 1.00 0.00 H new ATOM 0 HD21 LEU B 41 -9.621 4.419 -9.471 1.00 0.00 H new ATOM 0 HD22 LEU B 41 -8.355 3.304 -8.905 1.00 0.00 H new ATOM 0 HD23 LEU B 41 -9.068 4.486 -7.781 1.00 0.00 H new ATOM 905 N LYS B 42 -7.282 7.397 -6.192 1.00 0.00 N ATOM 906 CA LYS B 42 -8.318 8.299 -5.612 1.00 0.00 C ATOM 907 C LYS B 42 -7.712 9.670 -5.297 1.00 0.00 C ATOM 908 O LYS B 42 -8.416 10.631 -5.059 1.00 0.00 O ATOM 909 CB LYS B 42 -8.772 7.608 -4.325 1.00 0.00 C ATOM 910 CG LYS B 42 -9.590 6.363 -4.674 1.00 0.00 C ATOM 911 CD LYS B 42 -9.928 5.602 -3.390 1.00 0.00 C ATOM 912 CE LYS B 42 -10.960 4.514 -3.699 1.00 0.00 C ATOM 913 NZ LYS B 42 -11.313 3.938 -2.371 1.00 0.00 N ATOM 0 H LYS B 42 -6.882 6.721 -5.542 1.00 0.00 H new ATOM 0 HA LYS B 42 -9.147 8.468 -6.299 1.00 0.00 H new ATOM 0 HB2 LYS B 42 -7.906 7.330 -3.724 1.00 0.00 H new ATOM 0 HB3 LYS B 42 -9.371 8.293 -3.724 1.00 0.00 H new ATOM 0 HG2 LYS B 42 -10.505 6.649 -5.192 1.00 0.00 H new ATOM 0 HG3 LYS B 42 -9.027 5.722 -5.352 1.00 0.00 H new ATOM 0 HD2 LYS B 42 -9.026 5.155 -2.971 1.00 0.00 H new ATOM 0 HD3 LYS B 42 -10.321 6.289 -2.640 1.00 0.00 H new ATOM 0 HE2 LYS B 42 -11.837 4.930 -4.196 1.00 0.00 H new ATOM 0 HE3 LYS B 42 -10.548 3.754 -4.363 1.00 0.00 H new ATOM 0 HZ1 LYS B 42 -12.017 3.183 -2.496 1.00 0.00 H new ATOM 0 HZ2 LYS B 42 -10.460 3.545 -1.925 1.00 0.00 H new ATOM 0 HZ3 LYS B 42 -11.709 4.683 -1.763 1.00 0.00 H new ATOM 927 N ASN B 43 -6.411 9.767 -5.293 1.00 0.00 N ATOM 928 CA ASN B 43 -5.762 11.076 -4.993 1.00 0.00 C ATOM 929 C ASN B 43 -5.583 11.887 -6.279 1.00 0.00 C ATOM 930 O ASN B 43 -5.209 13.043 -6.248 1.00 0.00 O ATOM 931 CB ASN B 43 -4.404 10.717 -4.393 1.00 0.00 C ATOM 932 CG ASN B 43 -4.550 10.513 -2.884 1.00 0.00 C ATOM 933 OD1 ASN B 43 -3.618 10.734 -2.136 1.00 0.00 O ATOM 934 ND2 ASN B 43 -5.689 10.098 -2.401 1.00 0.00 N ATOM 0 H ASN B 43 -5.769 8.998 -5.484 1.00 0.00 H new ATOM 0 HA ASN B 43 -6.359 11.686 -4.315 1.00 0.00 H new ATOM 0 HB2 ASN B 43 -4.018 9.810 -4.858 1.00 0.00 H new ATOM 0 HB3 ASN B 43 -3.684 11.510 -4.595 1.00 0.00 H new ATOM 0 HD21 ASN B 43 -5.797 9.959 -1.396 1.00 0.00 H new ATOM 0 HD22 ASN B 43 -6.472 9.912 -3.028 1.00 0.00 H new ATOM 941 N GLY B 44 -5.848 11.291 -7.410 1.00 0.00 N ATOM 942 CA GLY B 44 -5.692 12.029 -8.694 1.00 0.00 C ATOM 943 C GLY B 44 -7.007 12.727 -9.045 1.00 0.00 C ATOM 944 O GLY B 44 -7.241 13.804 -8.521 1.00 0.00 O ATOM 945 OXT GLY B 44 -7.759 12.172 -9.830 1.00 0.00 O ATOM 0 H GLY B 44 -6.165 10.326 -7.499 1.00 0.00 H new ATOM 0 HA2 GLY B 44 -4.890 12.762 -8.609 1.00 0.00 H new ATOM 0 HA3 GLY B 44 -5.410 11.340 -9.490 1.00 0.00 H new TER 949 GLY B 44