USER MOD reduce.3.24.130724 H: found=0, std=0, add=557, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 558 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 Set 1.1: A 3 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 5 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.01) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 SER OG : rot 44:sc= 0.211 USER MOD Single : A 6 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.0055) USER MOD Single : A 8 HIS : no HD1:sc= -0.543 X(o=-0.54,f=-0.13) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.157 X(o=-0.16,f=-0.049) USER MOD Single : A 11 SER OG : rot 48:sc= 0.299 USER MOD Single : A 12 SER OG : rot -4:sc= 0.219 USER MOD Single : A 29 THR OG1 : rot 46:sc= 1.25 USER MOD Single : A 30 ASN : amide:sc= 0.583 K(o=0.58,f=-3.2!) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 49 HIS : no HE2:sc= 0.462 K(o=0.63,f=-6.6!) USER MOD Single : A 73 HIS : no HD1:sc= -0.104 X(o=-0.1,f=-0.0071) USER MOD Single : A 85 THR OG1 : rot 99:sc= 1.18 USER MOD Single : A 91 HIS : no HD1:sc= -1.22 K(o=-1.2,f=0.36) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -23.404 40.423 22.041 1.00 0.00 N ATOM 2 CA MET A 1 -22.088 40.209 22.680 1.00 52.33 C ATOM 3 C MET A 1 -20.978 40.263 21.637 1.00 41.53 C ATOM 4 O MET A 1 -20.107 41.126 21.692 1.00 14.45 O ATOM 5 CB MET A 1 -22.056 38.860 23.406 1.00 2.12 C ATOM 6 CG MET A 1 -20.727 38.567 24.085 1.00 44.22 C ATOM 7 SD MET A 1 -20.695 36.942 24.872 1.00 73.15 S ATOM 8 CE MET A 1 -19.027 36.907 25.529 1.00 31.55 C ATOM 0 H1 MET A 1 -24.151 40.384 22.763 1.00 0.00 H new ATOM 0 H2 MET A 1 -23.418 41.354 21.579 1.00 0.00 H new ATOM 0 H3 MET A 1 -23.570 39.682 21.331 1.00 0.00 H new ATOM 0 HA MET A 1 -21.928 41.003 23.409 1.00 52.33 H new ATOM 0 HB2 MET A 1 -22.849 38.840 24.154 1.00 2.12 H new ATOM 0 HB3 MET A 1 -22.272 38.066 22.691 1.00 2.12 H new ATOM 0 HG2 MET A 1 -19.926 38.626 23.348 1.00 44.22 H new ATOM 0 HG3 MET A 1 -20.529 39.334 24.834 1.00 44.22 H new ATOM 0 HE1 MET A 1 -18.859 35.961 26.044 1.00 31.55 H new ATOM 0 HE2 MET A 1 -18.312 37.007 24.712 1.00 31.55 H new ATOM 0 HE3 MET A 1 -18.895 37.731 26.230 1.00 31.55 H new ATOM 20 N GLY A 2 -21.025 39.344 20.681 1.00 42.41 N ATOM 21 CA GLY A 2 -20.011 39.297 19.647 1.00 34.52 C ATOM 22 C GLY A 2 -18.740 38.618 20.111 1.00 44.40 C ATOM 23 O GLY A 2 -17.914 39.219 20.799 1.00 70.21 O ATOM 0 H GLY A 2 -21.749 38.629 20.604 1.00 42.41 H new ATOM 0 HA2 GLY A 2 -20.406 38.768 18.780 1.00 34.52 H new ATOM 0 HA3 GLY A 2 -19.780 40.312 19.323 1.00 34.52 H new ATOM 27 N SER A 3 -18.581 37.364 19.735 1.00 20.32 N ATOM 28 CA SER A 3 -17.388 36.613 20.069 1.00 73.32 C ATOM 29 C SER A 3 -16.307 36.898 19.034 1.00 52.31 C ATOM 30 O SER A 3 -16.550 36.789 17.828 1.00 55.34 O ATOM 31 CB SER A 3 -17.709 35.117 20.115 1.00 73.42 C ATOM 32 OG SER A 3 -16.586 34.356 20.529 1.00 12.43 O ATOM 0 H SER A 3 -19.269 36.841 19.194 1.00 20.32 H new ATOM 0 HA SER A 3 -17.027 36.917 21.052 1.00 73.32 H new ATOM 0 HB2 SER A 3 -18.540 34.943 20.799 1.00 73.42 H new ATOM 0 HB3 SER A 3 -18.033 34.783 19.129 1.00 73.42 H new ATOM 0 HG SER A 3 -16.824 33.406 20.549 1.00 12.43 H new ATOM 38 N SER A 4 -15.126 37.282 19.491 1.00 30.31 N ATOM 39 CA SER A 4 -14.045 37.610 18.582 1.00 10.53 C ATOM 40 C SER A 4 -12.837 36.709 18.819 1.00 52.22 C ATOM 41 O SER A 4 -12.074 36.900 19.769 1.00 45.42 O ATOM 42 CB SER A 4 -13.662 39.090 18.715 1.00 54.44 C ATOM 43 OG SER A 4 -13.414 39.449 20.067 1.00 0.44 O ATOM 0 H SER A 4 -14.894 37.373 20.480 1.00 30.31 H new ATOM 0 HA SER A 4 -14.392 37.437 17.563 1.00 10.53 H new ATOM 0 HB2 SER A 4 -12.774 39.291 18.116 1.00 54.44 H new ATOM 0 HB3 SER A 4 -14.464 39.711 18.315 1.00 54.44 H new ATOM 0 HG SER A 4 -12.878 38.751 20.498 1.00 0.44 H new ATOM 49 N HIS A 5 -12.689 35.707 17.961 1.00 35.12 N ATOM 50 CA HIS A 5 -11.550 34.803 18.024 1.00 44.12 C ATOM 51 C HIS A 5 -11.339 34.111 16.682 1.00 40.23 C ATOM 52 O HIS A 5 -12.219 33.414 16.174 1.00 33.41 O ATOM 53 CB HIS A 5 -11.715 33.769 19.153 1.00 15.55 C ATOM 54 CG HIS A 5 -12.821 32.777 18.949 1.00 22.32 C ATOM 55 ND1 HIS A 5 -12.597 31.424 18.811 1.00 1.32 N ATOM 56 CD2 HIS A 5 -14.162 32.944 18.866 1.00 33.33 C ATOM 57 CE1 HIS A 5 -13.750 30.805 18.652 1.00 32.40 C ATOM 58 NE2 HIS A 5 -14.716 31.704 18.681 1.00 2.34 N ATOM 0 H HIS A 5 -13.348 35.500 17.210 1.00 35.12 H new ATOM 0 HA HIS A 5 -10.664 35.397 18.248 1.00 44.12 H new ATOM 0 HB2 HIS A 5 -10.777 33.226 19.267 1.00 15.55 H new ATOM 0 HB3 HIS A 5 -11.892 34.300 20.088 1.00 15.55 H new ATOM 0 HD2 HIS A 5 -14.696 33.880 18.933 1.00 33.33 H new ATOM 0 HE1 HIS A 5 -13.882 29.741 18.520 1.00 32.40 H new ATOM 0 HE2 HIS A 5 -15.712 31.508 18.582 1.00 2.34 H new ATOM 67 N HIS A 6 -10.181 34.343 16.101 1.00 11.51 N ATOM 68 CA HIS A 6 -9.790 33.700 14.861 1.00 32.30 C ATOM 69 C HIS A 6 -8.276 33.557 14.847 1.00 62.44 C ATOM 70 O HIS A 6 -7.550 34.551 14.859 1.00 12.25 O ATOM 71 CB HIS A 6 -10.271 34.513 13.655 1.00 0.31 C ATOM 72 CG HIS A 6 -10.057 33.829 12.338 1.00 13.05 C ATOM 73 ND1 HIS A 6 -9.336 34.386 11.305 1.00 4.21 N ATOM 74 CD2 HIS A 6 -10.483 32.624 11.889 1.00 24.13 C ATOM 75 CE1 HIS A 6 -9.330 33.556 10.276 1.00 20.35 C ATOM 76 NE2 HIS A 6 -10.018 32.478 10.605 1.00 41.41 N ATOM 0 H HIS A 6 -9.481 34.984 16.475 1.00 11.51 H new ATOM 0 HA HIS A 6 -10.251 32.715 14.796 1.00 32.30 H new ATOM 0 HB2 HIS A 6 -11.333 34.727 13.774 1.00 0.31 H new ATOM 0 HB3 HIS A 6 -9.752 35.471 13.644 1.00 0.31 H new ATOM 0 HD2 HIS A 6 -11.078 31.910 12.439 1.00 24.13 H new ATOM 0 HE1 HIS A 6 -8.845 33.730 9.327 1.00 20.35 H new ATOM 0 HE2 HIS A 6 -10.178 31.669 10.004 1.00 41.41 H new ATOM 85 N HIS A 7 -7.804 32.327 14.845 1.00 70.24 N ATOM 86 CA HIS A 7 -6.383 32.060 14.964 1.00 35.51 C ATOM 87 C HIS A 7 -5.742 31.929 13.586 1.00 50.21 C ATOM 88 O HIS A 7 -5.940 30.931 12.892 1.00 44.24 O ATOM 89 CB HIS A 7 -6.163 30.785 15.785 1.00 54.12 C ATOM 90 CG HIS A 7 -4.765 30.623 16.296 1.00 31.10 C ATOM 91 ND1 HIS A 7 -3.850 29.761 15.735 1.00 33.33 N ATOM 92 CD2 HIS A 7 -4.136 31.203 17.343 1.00 42.52 C ATOM 93 CE1 HIS A 7 -2.722 29.818 16.415 1.00 53.12 C ATOM 94 NE2 HIS A 7 -2.866 30.687 17.398 1.00 21.02 N ATOM 0 H HIS A 7 -8.385 31.493 14.762 1.00 70.24 H new ATOM 0 HA HIS A 7 -5.909 32.897 15.477 1.00 35.51 H new ATOM 0 HB2 HIS A 7 -6.850 30.787 16.631 1.00 54.12 H new ATOM 0 HB3 HIS A 7 -6.417 29.921 15.170 1.00 54.12 H new ATOM 0 HD2 HIS A 7 -4.556 31.938 18.013 1.00 42.52 H new ATOM 0 HE1 HIS A 7 -1.829 29.249 16.203 1.00 53.12 H new ATOM 0 HE2 HIS A 7 -2.152 30.934 18.084 1.00 21.02 H new ATOM 103 N HIS A 8 -4.986 32.942 13.180 1.00 53.54 N ATOM 104 CA HIS A 8 -4.325 32.902 11.886 1.00 1.31 C ATOM 105 C HIS A 8 -2.834 32.621 12.044 1.00 13.31 C ATOM 106 O HIS A 8 -2.092 33.409 12.624 1.00 44.23 O ATOM 107 CB HIS A 8 -4.576 34.195 11.077 1.00 52.15 C ATOM 108 CG HIS A 8 -3.990 35.463 11.642 1.00 35.35 C ATOM 109 ND1 HIS A 8 -4.718 36.368 12.384 1.00 70.41 N ATOM 110 CD2 HIS A 8 -2.747 35.995 11.528 1.00 34.20 C ATOM 111 CE1 HIS A 8 -3.953 37.397 12.699 1.00 40.21 C ATOM 112 NE2 HIS A 8 -2.753 37.194 12.192 1.00 64.33 N ATOM 0 H HIS A 8 -4.818 33.790 13.722 1.00 53.54 H new ATOM 0 HA HIS A 8 -4.760 32.080 11.317 1.00 1.31 H new ATOM 0 HB2 HIS A 8 -4.177 34.052 10.073 1.00 52.15 H new ATOM 0 HB3 HIS A 8 -5.653 34.331 10.976 1.00 52.15 H new ATOM 0 HD2 HIS A 8 -1.908 35.555 11.010 1.00 34.20 H new ATOM 0 HE1 HIS A 8 -4.258 38.259 13.274 1.00 40.21 H new ATOM 0 HE2 HIS A 8 -1.958 37.827 12.280 1.00 64.33 H new ATOM 121 N HIS A 9 -2.416 31.460 11.561 1.00 3.21 N ATOM 122 CA HIS A 9 -1.005 31.093 11.525 1.00 73.52 C ATOM 123 C HIS A 9 -0.738 30.183 10.342 1.00 30.30 C ATOM 124 O HIS A 9 -1.145 29.022 10.339 1.00 34.34 O ATOM 125 CB HIS A 9 -0.559 30.405 12.819 1.00 21.44 C ATOM 126 CG HIS A 9 0.198 31.308 13.744 1.00 3.44 C ATOM 127 ND1 HIS A 9 1.563 31.481 13.679 1.00 40.51 N ATOM 128 CD2 HIS A 9 -0.230 32.099 14.754 1.00 20.51 C ATOM 129 CE1 HIS A 9 1.940 32.337 14.607 1.00 32.35 C ATOM 130 NE2 HIS A 9 0.872 32.728 15.275 1.00 4.54 N ATOM 0 H HIS A 9 -3.041 30.748 11.184 1.00 3.21 H new ATOM 0 HA HIS A 9 -0.428 32.012 11.422 1.00 73.52 H new ATOM 0 HB2 HIS A 9 -1.437 30.020 13.338 1.00 21.44 H new ATOM 0 HB3 HIS A 9 0.066 29.547 12.569 1.00 21.44 H new ATOM 0 HD2 HIS A 9 -1.250 32.214 15.088 1.00 20.51 H new ATOM 0 HE1 HIS A 9 2.953 32.664 14.790 1.00 32.35 H new ATOM 0 HE2 HIS A 9 0.866 33.389 16.051 1.00 4.54 H new ATOM 139 N HIS A 10 -0.063 30.716 9.338 1.00 1.24 N ATOM 140 CA HIS A 10 0.220 29.964 8.123 1.00 3.21 C ATOM 141 C HIS A 10 1.374 30.601 7.357 1.00 13.34 C ATOM 142 O HIS A 10 1.354 31.798 7.071 1.00 12.14 O ATOM 143 CB HIS A 10 -1.037 29.853 7.232 1.00 34.41 C ATOM 144 CG HIS A 10 -1.550 31.154 6.677 1.00 63.14 C ATOM 145 ND1 HIS A 10 -1.901 31.315 5.358 1.00 4.13 N ATOM 146 CD2 HIS A 10 -1.790 32.348 7.275 1.00 51.24 C ATOM 147 CE1 HIS A 10 -2.329 32.547 5.162 1.00 13.23 C ATOM 148 NE2 HIS A 10 -2.273 33.196 6.310 1.00 35.21 N ATOM 0 H HIS A 10 0.301 31.669 9.338 1.00 1.24 H new ATOM 0 HA HIS A 10 0.514 28.954 8.410 1.00 3.21 H new ATOM 0 HB2 HIS A 10 -0.814 29.185 6.400 1.00 34.41 H new ATOM 0 HB3 HIS A 10 -1.833 29.386 7.812 1.00 34.41 H new ATOM 0 HD2 HIS A 10 -1.631 32.587 8.316 1.00 51.24 H new ATOM 0 HE1 HIS A 10 -2.668 32.956 4.221 1.00 13.23 H new ATOM 0 HE2 HIS A 10 -2.544 34.168 6.456 1.00 35.21 H new ATOM 157 N SER A 11 2.385 29.802 7.061 1.00 64.04 N ATOM 158 CA SER A 11 3.523 30.265 6.285 1.00 42.22 C ATOM 159 C SER A 11 4.199 29.090 5.585 1.00 72.24 C ATOM 160 O SER A 11 5.115 28.467 6.131 1.00 3.25 O ATOM 161 CB SER A 11 4.515 31.002 7.194 1.00 64.34 C ATOM 162 OG SER A 11 4.834 30.221 8.331 1.00 64.43 O ATOM 0 H SER A 11 2.441 28.825 7.348 1.00 64.04 H new ATOM 0 HA SER A 11 3.173 30.960 5.522 1.00 42.22 H new ATOM 0 HB2 SER A 11 5.424 31.230 6.638 1.00 64.34 H new ATOM 0 HB3 SER A 11 4.087 31.954 7.510 1.00 64.34 H new ATOM 0 HG SER A 11 5.057 29.309 8.049 1.00 64.43 H new ATOM 168 N SER A 12 3.703 28.749 4.406 1.00 33.41 N ATOM 169 CA SER A 12 4.274 27.670 3.611 1.00 74.52 C ATOM 170 C SER A 12 4.021 27.901 2.122 1.00 53.20 C ATOM 171 O SER A 12 2.879 28.096 1.699 1.00 33.31 O ATOM 172 CB SER A 12 3.682 26.321 4.037 1.00 52.14 C ATOM 173 OG SER A 12 3.928 26.069 5.410 1.00 40.22 O ATOM 0 H SER A 12 2.900 29.207 3.975 1.00 33.41 H new ATOM 0 HA SER A 12 5.350 27.656 3.783 1.00 74.52 H new ATOM 0 HB2 SER A 12 2.608 26.316 3.849 1.00 52.14 H new ATOM 0 HB3 SER A 12 4.115 25.523 3.434 1.00 52.14 H new ATOM 0 HG SER A 12 4.485 26.786 5.779 1.00 40.22 H new ATOM 179 N GLY A 13 5.091 27.906 1.341 1.00 13.03 N ATOM 180 CA GLY A 13 4.965 28.048 -0.094 1.00 0.00 C ATOM 181 C GLY A 13 6.047 28.930 -0.681 1.00 40.32 C ATOM 182 O GLY A 13 5.937 30.155 -0.651 1.00 61.14 O ATOM 0 H GLY A 13 6.049 27.814 1.678 1.00 13.03 H new ATOM 0 HA2 GLY A 13 5.009 27.063 -0.560 1.00 0.00 H new ATOM 0 HA3 GLY A 13 3.988 28.469 -0.331 1.00 0.00 H new ATOM 186 N ARG A 14 7.095 28.313 -1.201 1.00 32.43 N ATOM 187 CA ARG A 14 8.172 29.056 -1.832 1.00 54.55 C ATOM 188 C ARG A 14 8.096 28.877 -3.343 1.00 41.32 C ATOM 189 O ARG A 14 8.284 29.830 -4.101 1.00 1.41 O ATOM 190 CB ARG A 14 9.530 28.581 -1.302 1.00 32.01 C ATOM 191 CG ARG A 14 10.643 29.601 -1.472 1.00 33.53 C ATOM 192 CD ARG A 14 11.980 29.048 -1.007 1.00 50.13 C ATOM 193 NE ARG A 14 12.501 28.030 -1.919 1.00 71.04 N ATOM 194 CZ ARG A 14 13.272 27.010 -1.549 1.00 0.33 C ATOM 195 NH1 ARG A 14 13.533 26.791 -0.267 1.00 0.30 N ATOM 196 NH2 ARG A 14 13.768 26.195 -2.466 1.00 64.23 N ATOM 0 H ARG A 14 7.223 27.301 -1.199 1.00 32.43 H new ATOM 0 HA ARG A 14 8.066 30.114 -1.593 1.00 54.55 H new ATOM 0 HB2 ARG A 14 9.432 28.336 -0.244 1.00 32.01 H new ATOM 0 HB3 ARG A 14 9.810 27.662 -1.817 1.00 32.01 H new ATOM 0 HG2 ARG A 14 10.713 29.893 -2.520 1.00 33.53 H new ATOM 0 HG3 ARG A 14 10.403 30.501 -0.905 1.00 33.53 H new ATOM 0 HD2 ARG A 14 12.700 29.862 -0.924 1.00 50.13 H new ATOM 0 HD3 ARG A 14 11.868 28.619 -0.011 1.00 50.13 H new ATOM 0 HE ARG A 14 12.257 28.107 -2.906 1.00 71.04 H new ATOM 0 HH11 ARG A 14 13.142 27.407 0.446 1.00 0.30 H new ATOM 0 HH12 ARG A 14 14.125 26.007 0.006 1.00 0.30 H new ATOM 0 HH21 ARG A 14 13.559 26.350 -3.452 1.00 64.23 H new ATOM 0 HH22 ARG A 14 14.359 25.412 -2.186 1.00 64.23 H new ATOM 210 N GLU A 15 7.806 27.641 -3.759 1.00 62.52 N ATOM 211 CA GLU A 15 7.587 27.302 -5.163 1.00 53.43 C ATOM 212 C GLU A 15 8.859 27.476 -5.998 1.00 51.23 C ATOM 213 O GLU A 15 9.151 28.568 -6.499 1.00 33.10 O ATOM 214 CB GLU A 15 6.436 28.139 -5.730 1.00 52.22 C ATOM 215 CG GLU A 15 6.144 27.878 -7.195 1.00 31.34 C ATOM 216 CD GLU A 15 4.986 28.707 -7.707 1.00 42.12 C ATOM 217 OE1 GLU A 15 5.023 29.948 -7.561 1.00 11.22 O ATOM 218 OE2 GLU A 15 4.038 28.122 -8.270 1.00 50.02 O ATOM 0 H GLU A 15 7.717 26.846 -3.127 1.00 62.52 H new ATOM 0 HA GLU A 15 7.316 26.248 -5.217 1.00 53.43 H new ATOM 0 HB2 GLU A 15 5.535 27.939 -5.150 1.00 52.22 H new ATOM 0 HB3 GLU A 15 6.671 29.195 -5.600 1.00 52.22 H new ATOM 0 HG2 GLU A 15 7.034 28.097 -7.785 1.00 31.34 H new ATOM 0 HG3 GLU A 15 5.921 26.820 -7.336 1.00 31.34 H new ATOM 341 N LEU A 23 1.999 11.059 -8.481 1.00 75.22 N ATOM 342 CA LEU A 23 1.988 10.236 -7.265 1.00 44.45 C ATOM 343 C LEU A 23 2.907 9.024 -7.393 1.00 4.03 C ATOM 344 O LEU A 23 3.147 8.510 -8.486 1.00 33.51 O ATOM 345 CB LEU A 23 0.564 9.772 -6.895 1.00 15.30 C ATOM 346 CG LEU A 23 -0.352 10.831 -6.260 1.00 22.34 C ATOM 347 CD1 LEU A 23 -0.762 11.896 -7.268 1.00 22.22 C ATOM 348 CD2 LEU A 23 -1.585 10.170 -5.661 1.00 41.04 C ATOM 0 HA LEU A 23 2.362 10.873 -6.463 1.00 44.45 H new ATOM 0 HB2 LEU A 23 0.081 9.398 -7.797 1.00 15.30 H new ATOM 0 HB3 LEU A 23 0.646 8.932 -6.205 1.00 15.30 H new ATOM 0 HG LEU A 23 0.211 11.324 -5.467 1.00 22.34 H new ATOM 0 HD11 LEU A 23 -1.409 12.627 -6.782 1.00 22.22 H new ATOM 0 HD12 LEU A 23 0.128 12.396 -7.651 1.00 22.22 H new ATOM 0 HD13 LEU A 23 -1.299 11.428 -8.093 1.00 22.22 H new ATOM 0 HD21 LEU A 23 -2.225 10.931 -5.215 1.00 41.04 H new ATOM 0 HD22 LEU A 23 -2.134 9.647 -6.444 1.00 41.04 H new ATOM 0 HD23 LEU A 23 -1.280 9.458 -4.895 1.00 41.04 H new ATOM 360 N ARG A 24 3.427 8.582 -6.259 1.00 20.10 N ATOM 361 CA ARG A 24 4.240 7.378 -6.208 1.00 54.31 C ATOM 362 C ARG A 24 3.655 6.425 -5.182 1.00 41.44 C ATOM 363 O ARG A 24 2.819 6.822 -4.364 1.00 54.43 O ATOM 364 CB ARG A 24 5.686 7.678 -5.802 1.00 54.11 C ATOM 365 CG ARG A 24 6.407 8.700 -6.665 1.00 54.43 C ATOM 366 CD ARG A 24 7.897 8.690 -6.359 1.00 71.52 C ATOM 367 NE ARG A 24 8.571 9.900 -6.811 1.00 40.35 N ATOM 368 CZ ARG A 24 9.805 9.925 -7.309 1.00 4.34 C ATOM 369 NH1 ARG A 24 10.482 8.796 -7.511 1.00 22.31 N ATOM 370 NH2 ARG A 24 10.353 11.092 -7.610 1.00 70.13 N ATOM 0 H ARG A 24 3.299 9.042 -5.358 1.00 20.10 H new ATOM 0 HA ARG A 24 4.241 6.941 -7.207 1.00 54.31 H new ATOM 0 HB2 ARG A 24 5.690 8.031 -4.771 1.00 54.11 H new ATOM 0 HB3 ARG A 24 6.252 6.747 -5.822 1.00 54.11 H new ATOM 0 HG2 ARG A 24 6.244 8.476 -7.719 1.00 54.43 H new ATOM 0 HG3 ARG A 24 5.998 9.694 -6.483 1.00 54.43 H new ATOM 0 HD2 ARG A 24 8.043 8.577 -5.285 1.00 71.52 H new ATOM 0 HD3 ARG A 24 8.356 7.824 -6.835 1.00 71.52 H new ATOM 0 HE ARG A 24 8.066 10.783 -6.741 1.00 40.35 H new ATOM 0 HH11 ARG A 24 10.055 7.898 -7.283 1.00 22.31 H new ATOM 0 HH12 ARG A 24 11.427 8.829 -7.893 1.00 22.31 H new ATOM 0 HH21 ARG A 24 9.830 11.955 -7.459 1.00 70.13 H new ATOM 0 HH22 ARG A 24 11.298 11.128 -7.992 1.00 70.13 H new ATOM 384 N GLU A 25 4.097 5.180 -5.211 1.00 30.33 N ATOM 385 CA GLU A 25 3.735 4.246 -4.168 1.00 64.34 C ATOM 386 C GLU A 25 4.576 4.519 -2.938 1.00 40.20 C ATOM 387 O GLU A 25 5.805 4.542 -3.003 1.00 1.20 O ATOM 388 CB GLU A 25 3.923 2.793 -4.604 1.00 21.45 C ATOM 389 CG GLU A 25 2.924 2.316 -5.641 1.00 51.42 C ATOM 390 CD GLU A 25 3.283 2.737 -7.050 1.00 0.25 C ATOM 391 OE1 GLU A 25 4.058 2.008 -7.703 1.00 44.04 O ATOM 392 OE2 GLU A 25 2.783 3.781 -7.517 1.00 3.13 O ATOM 0 H GLU A 25 4.701 4.798 -5.939 1.00 30.33 H new ATOM 0 HA GLU A 25 2.677 4.388 -3.946 1.00 64.34 H new ATOM 0 HB2 GLU A 25 4.930 2.674 -5.005 1.00 21.45 H new ATOM 0 HB3 GLU A 25 3.852 2.151 -3.726 1.00 21.45 H new ATOM 0 HG2 GLU A 25 2.857 1.229 -5.599 1.00 51.42 H new ATOM 0 HG3 GLU A 25 1.937 2.706 -5.392 1.00 51.42 H new ATOM 399 N LEU A 26 3.914 4.750 -1.829 1.00 13.45 N ATOM 400 CA LEU A 26 4.596 4.976 -0.576 1.00 74.50 C ATOM 401 C LEU A 26 5.077 3.635 -0.029 1.00 60.54 C ATOM 402 O LEU A 26 6.120 3.544 0.620 1.00 40.42 O ATOM 403 CB LEU A 26 3.646 5.671 0.414 1.00 24.22 C ATOM 404 CG LEU A 26 4.302 6.497 1.535 1.00 40.21 C ATOM 405 CD1 LEU A 26 4.991 5.616 2.565 1.00 32.35 C ATOM 406 CD2 LEU A 26 5.288 7.487 0.948 1.00 20.44 C ATOM 0 H LEU A 26 2.896 4.787 -1.769 1.00 13.45 H new ATOM 0 HA LEU A 26 5.458 5.625 -0.726 1.00 74.50 H new ATOM 0 HB2 LEU A 26 2.986 6.328 -0.152 1.00 24.22 H new ATOM 0 HB3 LEU A 26 3.018 4.909 0.875 1.00 24.22 H new ATOM 0 HG LEU A 26 3.508 7.039 2.048 1.00 40.21 H new ATOM 0 HD11 LEU A 26 5.440 6.241 3.337 1.00 32.35 H new ATOM 0 HD12 LEU A 26 4.260 4.947 3.019 1.00 32.35 H new ATOM 0 HD13 LEU A 26 5.768 5.027 2.078 1.00 32.35 H new ATOM 0 HD21 LEU A 26 5.745 8.065 1.751 1.00 20.44 H new ATOM 0 HD22 LEU A 26 6.063 6.949 0.402 1.00 20.44 H new ATOM 0 HD23 LEU A 26 4.766 8.160 0.268 1.00 20.44 H new ATOM 418 N LEU A 27 4.324 2.584 -0.342 1.00 41.30 N ATOM 419 CA LEU A 27 4.601 1.262 0.193 1.00 73.23 C ATOM 420 C LEU A 27 3.755 0.209 -0.503 1.00 14.01 C ATOM 421 O LEU A 27 2.730 0.520 -1.119 1.00 71.52 O ATOM 422 CB LEU A 27 4.301 1.224 1.698 1.00 21.42 C ATOM 423 CG LEU A 27 2.838 1.492 2.078 1.00 4.52 C ATOM 424 CD1 LEU A 27 2.291 0.373 2.947 1.00 14.50 C ATOM 425 CD2 LEU A 27 2.707 2.831 2.789 1.00 63.23 C ATOM 0 H LEU A 27 3.517 2.626 -0.965 1.00 41.30 H new ATOM 0 HA LEU A 27 5.656 1.047 0.021 1.00 73.23 H new ATOM 0 HB2 LEU A 27 4.587 0.246 2.085 1.00 21.42 H new ATOM 0 HB3 LEU A 27 4.930 1.961 2.197 1.00 21.42 H new ATOM 0 HG LEU A 27 2.251 1.528 1.160 1.00 4.52 H new ATOM 0 HD11 LEU A 27 1.253 0.586 3.203 1.00 14.50 H new ATOM 0 HD12 LEU A 27 2.345 -0.570 2.403 1.00 14.50 H new ATOM 0 HD13 LEU A 27 2.882 0.299 3.860 1.00 14.50 H new ATOM 0 HD21 LEU A 27 1.663 3.004 3.050 1.00 63.23 H new ATOM 0 HD22 LEU A 27 3.312 2.822 3.696 1.00 63.23 H new ATOM 0 HD23 LEU A 27 3.053 3.628 2.131 1.00 63.23 H new ATOM 437 N ARG A 28 4.194 -1.029 -0.394 1.00 21.02 N ATOM 438 CA ARG A 28 3.415 -2.167 -0.829 1.00 13.32 C ATOM 439 C ARG A 28 3.353 -3.136 0.340 1.00 72.42 C ATOM 440 O ARG A 28 4.343 -3.786 0.673 1.00 64.10 O ATOM 441 CB ARG A 28 4.041 -2.812 -2.076 1.00 63.12 C ATOM 442 CG ARG A 28 3.139 -3.823 -2.779 1.00 22.13 C ATOM 443 CD ARG A 28 3.207 -5.194 -2.126 1.00 5.20 C ATOM 444 NE ARG A 28 4.503 -5.832 -2.336 1.00 74.44 N ATOM 445 CZ ARG A 28 5.087 -6.647 -1.462 1.00 12.20 C ATOM 446 NH1 ARG A 28 4.508 -6.896 -0.295 1.00 3.22 N ATOM 447 NH2 ARG A 28 6.255 -7.201 -1.755 1.00 2.34 N ATOM 0 H ARG A 28 5.103 -1.273 -0.000 1.00 21.02 H new ATOM 0 HA ARG A 28 2.408 -1.866 -1.117 1.00 13.32 H new ATOM 0 HB2 ARG A 28 4.306 -2.026 -2.783 1.00 63.12 H new ATOM 0 HB3 ARG A 28 4.968 -3.308 -1.788 1.00 63.12 H new ATOM 0 HG2 ARG A 28 2.110 -3.464 -2.763 1.00 22.13 H new ATOM 0 HG3 ARG A 28 3.432 -3.905 -3.826 1.00 22.13 H new ATOM 0 HD2 ARG A 28 3.019 -5.097 -1.057 1.00 5.20 H new ATOM 0 HD3 ARG A 28 2.419 -5.829 -2.532 1.00 5.20 H new ATOM 0 HE ARG A 28 4.993 -5.640 -3.210 1.00 74.44 H new ATOM 0 HH11 ARG A 28 3.614 -6.462 -0.067 1.00 3.22 H new ATOM 0 HH12 ARG A 28 4.957 -7.521 0.374 1.00 3.22 H new ATOM 0 HH21 ARG A 28 6.704 -7.002 -2.649 1.00 2.34 H new ATOM 0 HH22 ARG A 28 6.705 -7.826 -1.086 1.00 2.34 H new ATOM 461 N THR A 29 2.195 -3.209 0.971 1.00 61.43 N ATOM 462 CA THR A 29 2.072 -3.868 2.254 1.00 10.14 C ATOM 463 C THR A 29 2.032 -5.381 2.104 1.00 0.31 C ATOM 464 O THR A 29 1.836 -5.916 1.007 1.00 43.43 O ATOM 465 CB THR A 29 0.819 -3.384 3.019 1.00 42.21 C ATOM 466 OG1 THR A 29 0.827 -3.883 4.365 1.00 72.23 O ATOM 467 CG2 THR A 29 -0.453 -3.833 2.315 1.00 35.24 C ATOM 0 H THR A 29 1.324 -2.818 0.612 1.00 61.43 H new ATOM 0 HA THR A 29 2.957 -3.601 2.831 1.00 10.14 H new ATOM 0 HB THR A 29 0.842 -2.294 3.042 1.00 42.21 H new ATOM 0 HG1 THR A 29 1.718 -3.759 4.754 1.00 72.23 H new ATOM 0 HG21 THR A 29 -1.321 -3.480 2.872 1.00 35.24 H new ATOM 0 HG22 THR A 29 -0.476 -3.419 1.307 1.00 35.24 H new ATOM 0 HG23 THR A 29 -0.474 -4.921 2.261 1.00 35.24 H new ATOM 475 N ASN A 30 2.248 -6.060 3.213 1.00 35.34 N ATOM 476 CA ASN A 30 2.222 -7.502 3.245 1.00 14.22 C ATOM 477 C ASN A 30 1.063 -7.994 4.107 1.00 50.21 C ATOM 478 O ASN A 30 0.822 -9.200 4.212 1.00 13.55 O ATOM 479 CB ASN A 30 3.541 -8.046 3.809 1.00 55.50 C ATOM 480 CG ASN A 30 4.768 -7.525 3.077 1.00 41.11 C ATOM 481 OD1 ASN A 30 5.237 -8.133 2.111 1.00 30.41 O ATOM 482 ND2 ASN A 30 5.304 -6.400 3.532 1.00 12.42 N ATOM 0 H ASN A 30 2.446 -5.625 4.114 1.00 35.34 H new ATOM 0 HA ASN A 30 2.090 -7.863 2.225 1.00 14.22 H new ATOM 0 HB2 ASN A 30 3.615 -7.779 4.863 1.00 55.50 H new ATOM 0 HB3 ASN A 30 3.530 -9.135 3.756 1.00 55.50 H new ATOM 0 HD21 ASN A 30 6.131 -6.010 3.081 1.00 12.42 H new ATOM 0 HD22 ASN A 30 4.889 -5.925 4.333 1.00 12.42 H new ATOM 489 N ASP A 31 0.344 -7.062 4.721 1.00 22.32 N ATOM 490 CA ASP A 31 -0.728 -7.419 5.645 1.00 32.41 C ATOM 491 C ASP A 31 -1.999 -6.634 5.337 1.00 24.42 C ATOM 492 O ASP A 31 -1.938 -5.486 4.898 1.00 44.45 O ATOM 493 CB ASP A 31 -0.282 -7.165 7.086 1.00 5.35 C ATOM 494 CG ASP A 31 -1.270 -7.701 8.098 1.00 1.14 C ATOM 495 OD1 ASP A 31 -1.237 -8.923 8.374 1.00 1.11 O ATOM 496 OD2 ASP A 31 -2.092 -6.915 8.603 1.00 40.22 O ATOM 0 H ASP A 31 0.482 -6.059 4.598 1.00 22.32 H new ATOM 0 HA ASP A 31 -0.949 -8.479 5.522 1.00 32.41 H new ATOM 0 HB2 ASP A 31 0.690 -7.630 7.250 1.00 5.35 H new ATOM 0 HB3 ASP A 31 -0.153 -6.094 7.240 1.00 5.35 H new ATOM 501 N ALA A 32 -3.148 -7.257 5.572 1.00 61.13 N ATOM 502 CA ALA A 32 -4.430 -6.654 5.237 1.00 4.10 C ATOM 503 C ALA A 32 -5.025 -5.905 6.427 1.00 31.51 C ATOM 504 O ALA A 32 -5.849 -5.007 6.253 1.00 63.23 O ATOM 505 CB ALA A 32 -5.401 -7.722 4.757 1.00 32.32 C ATOM 0 H ALA A 32 -3.217 -8.183 5.995 1.00 61.13 H new ATOM 0 HA ALA A 32 -4.260 -5.933 4.437 1.00 4.10 H new ATOM 0 HB1 ALA A 32 -6.357 -7.260 4.509 1.00 32.32 H new ATOM 0 HB2 ALA A 32 -4.995 -8.212 3.872 1.00 32.32 H new ATOM 0 HB3 ALA A 32 -5.549 -8.460 5.545 1.00 32.32 H new ATOM 511 N VAL A 33 -4.615 -6.278 7.632 1.00 54.10 N ATOM 512 CA VAL A 33 -5.118 -5.633 8.844 1.00 1.32 C ATOM 513 C VAL A 33 -4.405 -4.302 9.061 1.00 71.10 C ATOM 514 O VAL A 33 -5.009 -3.312 9.484 1.00 30.33 O ATOM 515 CB VAL A 33 -4.928 -6.528 10.091 1.00 43.31 C ATOM 516 CG1 VAL A 33 -5.515 -5.864 11.331 1.00 23.11 C ATOM 517 CG2 VAL A 33 -5.557 -7.896 9.869 1.00 50.30 C ATOM 0 H VAL A 33 -3.937 -7.022 7.799 1.00 54.10 H new ATOM 0 HA VAL A 33 -6.186 -5.465 8.707 1.00 1.32 H new ATOM 0 HB VAL A 33 -3.858 -6.662 10.252 1.00 43.31 H new ATOM 0 HG11 VAL A 33 -5.369 -6.513 12.195 1.00 23.11 H new ATOM 0 HG12 VAL A 33 -5.015 -4.911 11.504 1.00 23.11 H new ATOM 0 HG13 VAL A 33 -6.581 -5.693 11.182 1.00 23.11 H new ATOM 0 HG21 VAL A 33 -5.413 -8.511 10.757 1.00 50.30 H new ATOM 0 HG22 VAL A 33 -6.624 -7.779 9.678 1.00 50.30 H new ATOM 0 HG23 VAL A 33 -5.085 -8.379 9.013 1.00 50.30 H new ATOM 527 N LEU A 34 -3.114 -4.290 8.751 1.00 72.10 N ATOM 528 CA LEU A 34 -2.294 -3.090 8.877 1.00 14.34 C ATOM 529 C LEU A 34 -2.871 -1.935 8.058 1.00 4.24 C ATOM 530 O LEU A 34 -2.751 -0.771 8.446 1.00 5.11 O ATOM 531 CB LEU A 34 -0.862 -3.388 8.430 1.00 43.54 C ATOM 532 CG LEU A 34 0.120 -2.221 8.558 1.00 70.53 C ATOM 533 CD1 LEU A 34 0.266 -1.804 10.014 1.00 10.05 C ATOM 534 CD2 LEU A 34 1.472 -2.597 7.974 1.00 11.25 C ATOM 0 H LEU A 34 -2.608 -5.106 8.407 1.00 72.10 H new ATOM 0 HA LEU A 34 -2.290 -2.790 9.925 1.00 14.34 H new ATOM 0 HB2 LEU A 34 -0.483 -4.226 9.015 1.00 43.54 H new ATOM 0 HB3 LEU A 34 -0.884 -3.710 7.389 1.00 43.54 H new ATOM 0 HG LEU A 34 -0.275 -1.375 7.996 1.00 70.53 H new ATOM 0 HD11 LEU A 34 0.968 -0.973 10.086 1.00 10.05 H new ATOM 0 HD12 LEU A 34 -0.704 -1.494 10.403 1.00 10.05 H new ATOM 0 HD13 LEU A 34 0.639 -2.646 10.598 1.00 10.05 H new ATOM 0 HD21 LEU A 34 2.158 -1.756 8.073 1.00 11.25 H new ATOM 0 HD22 LEU A 34 1.873 -3.457 8.510 1.00 11.25 H new ATOM 0 HD23 LEU A 34 1.356 -2.848 6.920 1.00 11.25 H new ATOM 546 N LEU A 35 -3.507 -2.262 6.933 1.00 74.41 N ATOM 547 CA LEU A 35 -4.126 -1.258 6.071 1.00 52.11 C ATOM 548 C LEU A 35 -5.134 -0.410 6.838 1.00 73.22 C ATOM 549 O LEU A 35 -5.209 0.807 6.654 1.00 71.22 O ATOM 550 CB LEU A 35 -4.820 -1.932 4.886 1.00 61.43 C ATOM 551 CG LEU A 35 -3.884 -2.586 3.873 1.00 14.34 C ATOM 552 CD1 LEU A 35 -4.685 -3.356 2.836 1.00 33.31 C ATOM 553 CD2 LEU A 35 -3.013 -1.533 3.205 1.00 23.31 C ATOM 0 H LEU A 35 -3.607 -3.220 6.597 1.00 74.41 H new ATOM 0 HA LEU A 35 -3.334 -0.604 5.706 1.00 52.11 H new ATOM 0 HB2 LEU A 35 -5.503 -2.690 5.269 1.00 61.43 H new ATOM 0 HB3 LEU A 35 -5.427 -1.188 4.369 1.00 61.43 H new ATOM 0 HG LEU A 35 -3.235 -3.288 4.396 1.00 14.34 H new ATOM 0 HD11 LEU A 35 -4.005 -3.817 2.120 1.00 33.31 H new ATOM 0 HD12 LEU A 35 -5.271 -4.131 3.331 1.00 33.31 H new ATOM 0 HD13 LEU A 35 -5.354 -2.673 2.313 1.00 33.31 H new ATOM 0 HD21 LEU A 35 -2.350 -2.013 2.485 1.00 23.31 H new ATOM 0 HD22 LEU A 35 -3.646 -0.810 2.690 1.00 23.31 H new ATOM 0 HD23 LEU A 35 -2.418 -1.020 3.961 1.00 23.31 H new ATOM 565 N SER A 36 -5.887 -1.058 7.714 1.00 2.43 N ATOM 566 CA SER A 36 -6.904 -0.385 8.508 1.00 12.44 C ATOM 567 C SER A 36 -6.269 0.625 9.465 1.00 42.13 C ATOM 568 O SER A 36 -6.895 1.615 9.851 1.00 33.24 O ATOM 569 CB SER A 36 -7.719 -1.425 9.279 1.00 45.32 C ATOM 570 OG SER A 36 -8.252 -2.400 8.395 1.00 51.41 O ATOM 0 H SER A 36 -5.811 -2.059 7.894 1.00 2.43 H new ATOM 0 HA SER A 36 -7.568 0.165 7.841 1.00 12.44 H new ATOM 0 HB2 SER A 36 -7.088 -1.909 10.025 1.00 45.32 H new ATOM 0 HB3 SER A 36 -8.529 -0.933 9.817 1.00 45.32 H new ATOM 0 HG SER A 36 -8.769 -3.057 8.906 1.00 51.41 H new ATOM 576 N ALA A 37 -5.022 0.373 9.842 1.00 3.22 N ATOM 577 CA ALA A 37 -4.291 1.278 10.715 1.00 55.23 C ATOM 578 C ALA A 37 -3.650 2.403 9.908 1.00 2.20 C ATOM 579 O ALA A 37 -3.779 3.577 10.255 1.00 33.51 O ATOM 580 CB ALA A 37 -3.236 0.522 11.508 1.00 25.32 C ATOM 0 H ALA A 37 -4.496 -0.453 9.555 1.00 3.22 H new ATOM 0 HA ALA A 37 -4.998 1.720 11.418 1.00 55.23 H new ATOM 0 HB1 ALA A 37 -2.700 1.216 12.155 1.00 25.32 H new ATOM 0 HB2 ALA A 37 -3.717 -0.243 12.117 1.00 25.32 H new ATOM 0 HB3 ALA A 37 -2.533 0.050 10.821 1.00 25.32 H new ATOM 586 N VAL A 38 -2.974 2.034 8.818 1.00 62.44 N ATOM 587 CA VAL A 38 -2.294 3.005 7.954 1.00 63.32 C ATOM 588 C VAL A 38 -3.274 4.043 7.400 1.00 34.31 C ATOM 589 O VAL A 38 -2.967 5.236 7.339 1.00 63.23 O ATOM 590 CB VAL A 38 -1.581 2.301 6.777 1.00 73.31 C ATOM 591 CG1 VAL A 38 -0.924 3.312 5.849 1.00 11.32 C ATOM 592 CG2 VAL A 38 -0.546 1.308 7.293 1.00 53.32 C ATOM 0 H VAL A 38 -2.882 1.066 8.511 1.00 62.44 H new ATOM 0 HA VAL A 38 -1.552 3.512 8.571 1.00 63.32 H new ATOM 0 HB VAL A 38 -2.335 1.757 6.208 1.00 73.31 H new ATOM 0 HG11 VAL A 38 -0.430 2.788 5.031 1.00 11.32 H new ATOM 0 HG12 VAL A 38 -1.683 3.982 5.445 1.00 11.32 H new ATOM 0 HG13 VAL A 38 -0.187 3.892 6.405 1.00 11.32 H new ATOM 0 HG21 VAL A 38 -0.055 0.823 6.449 1.00 53.32 H new ATOM 0 HG22 VAL A 38 0.197 1.835 7.891 1.00 53.32 H new ATOM 0 HG23 VAL A 38 -1.039 0.555 7.908 1.00 53.32 H new ATOM 602 N GLY A 39 -4.458 3.580 7.020 1.00 73.10 N ATOM 603 CA GLY A 39 -5.459 4.463 6.453 1.00 12.41 C ATOM 604 C GLY A 39 -5.862 5.571 7.404 1.00 1.43 C ATOM 605 O GLY A 39 -5.835 6.747 7.045 1.00 64.45 O ATOM 0 H GLY A 39 -4.744 2.604 7.095 1.00 73.10 H new ATOM 0 HA2 GLY A 39 -5.073 4.901 5.533 1.00 12.41 H new ATOM 0 HA3 GLY A 39 -6.341 3.882 6.183 1.00 12.41 H new ATOM 609 N ALA A 40 -6.191 5.193 8.635 1.00 54.35 N ATOM 610 CA ALA A 40 -6.641 6.147 9.643 1.00 25.44 C ATOM 611 C ALA A 40 -5.546 7.155 9.980 1.00 71.21 C ATOM 612 O ALA A 40 -5.829 8.285 10.394 1.00 25.25 O ATOM 613 CB ALA A 40 -7.082 5.412 10.898 1.00 15.33 C ATOM 0 H ALA A 40 -6.154 4.227 8.960 1.00 54.35 H new ATOM 0 HA ALA A 40 -7.489 6.696 9.233 1.00 25.44 H new ATOM 0 HB1 ALA A 40 -7.416 6.133 11.644 1.00 15.33 H new ATOM 0 HB2 ALA A 40 -7.902 4.736 10.655 1.00 15.33 H new ATOM 0 HB3 ALA A 40 -6.245 4.839 11.297 1.00 15.33 H new ATOM 619 N LEU A 41 -4.298 6.737 9.807 1.00 34.10 N ATOM 620 CA LEU A 41 -3.154 7.609 10.030 1.00 42.40 C ATOM 621 C LEU A 41 -3.093 8.681 8.951 1.00 10.31 C ATOM 622 O LEU A 41 -3.015 9.875 9.244 1.00 75.25 O ATOM 623 CB LEU A 41 -1.855 6.798 10.021 1.00 11.25 C ATOM 624 CG LEU A 41 -1.691 5.806 11.172 1.00 44.00 C ATOM 625 CD1 LEU A 41 -0.489 4.907 10.930 1.00 10.45 C ATOM 626 CD2 LEU A 41 -1.536 6.543 12.491 1.00 12.33 C ATOM 0 H LEU A 41 -4.053 5.792 9.511 1.00 34.10 H new ATOM 0 HA LEU A 41 -3.269 8.085 11.004 1.00 42.40 H new ATOM 0 HB2 LEU A 41 -1.796 6.250 9.081 1.00 11.25 H new ATOM 0 HB3 LEU A 41 -1.014 7.491 10.039 1.00 11.25 H new ATOM 0 HG LEU A 41 -2.587 5.187 11.222 1.00 44.00 H new ATOM 0 HD11 LEU A 41 -0.386 4.206 11.759 1.00 10.45 H new ATOM 0 HD12 LEU A 41 -0.630 4.353 10.002 1.00 10.45 H new ATOM 0 HD13 LEU A 41 0.412 5.516 10.856 1.00 10.45 H new ATOM 0 HD21 LEU A 41 -1.420 5.821 13.300 1.00 12.33 H new ATOM 0 HD22 LEU A 41 -0.656 7.184 12.448 1.00 12.33 H new ATOM 0 HD23 LEU A 41 -2.421 7.153 12.673 1.00 12.33 H new ATOM 638 N LEU A 42 -3.148 8.242 7.702 1.00 22.31 N ATOM 639 CA LEU A 42 -3.068 9.146 6.564 1.00 24.54 C ATOM 640 C LEU A 42 -4.279 10.074 6.519 1.00 20.15 C ATOM 641 O LEU A 42 -4.147 11.260 6.218 1.00 14.22 O ATOM 642 CB LEU A 42 -2.962 8.348 5.264 1.00 3.02 C ATOM 643 CG LEU A 42 -1.790 7.364 5.196 1.00 35.41 C ATOM 644 CD1 LEU A 42 -1.807 6.610 3.876 1.00 45.31 C ATOM 645 CD2 LEU A 42 -0.463 8.092 5.375 1.00 3.11 C ATOM 0 H LEU A 42 -3.248 7.259 7.450 1.00 22.31 H new ATOM 0 HA LEU A 42 -2.174 9.760 6.676 1.00 24.54 H new ATOM 0 HB2 LEU A 42 -3.890 7.794 5.120 1.00 3.02 H new ATOM 0 HB3 LEU A 42 -2.877 9.048 4.433 1.00 3.02 H new ATOM 0 HG LEU A 42 -1.899 6.646 6.009 1.00 35.41 H new ATOM 0 HD11 LEU A 42 -0.968 5.915 3.843 1.00 45.31 H new ATOM 0 HD12 LEU A 42 -2.741 6.056 3.786 1.00 45.31 H new ATOM 0 HD13 LEU A 42 -1.724 7.318 3.051 1.00 45.31 H new ATOM 0 HD21 LEU A 42 0.356 7.374 5.323 1.00 3.11 H new ATOM 0 HD22 LEU A 42 -0.346 8.834 4.585 1.00 3.11 H new ATOM 0 HD23 LEU A 42 -0.449 8.589 6.345 1.00 3.11 H new ATOM 657 N ASP A 43 -5.452 9.529 6.819 1.00 71.11 N ATOM 658 CA ASP A 43 -6.677 10.322 6.865 1.00 53.21 C ATOM 659 C ASP A 43 -6.605 11.358 7.979 1.00 33.05 C ATOM 660 O ASP A 43 -6.886 12.541 7.766 1.00 72.34 O ATOM 661 CB ASP A 43 -7.906 9.425 7.075 1.00 54.51 C ATOM 662 CG ASP A 43 -8.452 8.849 5.784 1.00 21.02 C ATOM 663 OD1 ASP A 43 -8.003 7.765 5.367 1.00 13.13 O ATOM 664 OD2 ASP A 43 -9.348 9.475 5.181 1.00 53.51 O ATOM 0 H ASP A 43 -5.582 8.540 7.034 1.00 71.11 H new ATOM 0 HA ASP A 43 -6.776 10.833 5.908 1.00 53.21 H new ATOM 0 HB2 ASP A 43 -7.641 8.608 7.746 1.00 54.51 H new ATOM 0 HB3 ASP A 43 -8.689 10.002 7.568 1.00 54.51 H new ATOM 669 N GLY A 44 -6.195 10.914 9.160 1.00 33.41 N ATOM 670 CA GLY A 44 -6.154 11.791 10.314 1.00 0.34 C ATOM 671 C GLY A 44 -5.085 12.861 10.209 1.00 13.01 C ATOM 672 O GLY A 44 -5.208 13.927 10.809 1.00 44.34 O ATOM 0 H GLY A 44 -5.889 9.958 9.340 1.00 33.41 H new ATOM 0 HA2 GLY A 44 -7.127 12.268 10.435 1.00 0.34 H new ATOM 0 HA3 GLY A 44 -5.977 11.195 11.210 1.00 0.34 H new ATOM 676 N ALA A 45 -4.039 12.585 9.440 1.00 42.10 N ATOM 677 CA ALA A 45 -2.944 13.530 9.272 1.00 51.24 C ATOM 678 C ALA A 45 -3.183 14.456 8.082 1.00 23.04 C ATOM 679 O ALA A 45 -2.337 15.301 7.773 1.00 3.33 O ATOM 680 CB ALA A 45 -1.628 12.793 9.109 1.00 42.11 C ATOM 0 H ALA A 45 -3.927 11.713 8.923 1.00 42.10 H new ATOM 0 HA ALA A 45 -2.896 14.145 10.171 1.00 51.24 H new ATOM 0 HB1 ALA A 45 -0.820 13.514 8.985 1.00 42.11 H new ATOM 0 HB2 ALA A 45 -1.439 12.186 9.994 1.00 42.11 H new ATOM 0 HB3 ALA A 45 -1.678 12.149 8.231 1.00 42.11 H new ATOM 686 N ASP A 46 -4.333 14.290 7.420 1.00 71.25 N ATOM 687 CA ASP A 46 -4.706 15.123 6.269 1.00 32.20 C ATOM 688 C ASP A 46 -3.734 14.889 5.106 1.00 54.10 C ATOM 689 O ASP A 46 -3.438 15.784 4.312 1.00 4.12 O ATOM 690 CB ASP A 46 -4.744 16.607 6.675 1.00 15.05 C ATOM 691 CG ASP A 46 -5.214 17.526 5.563 1.00 35.32 C ATOM 692 OD1 ASP A 46 -6.335 17.334 5.054 1.00 53.52 O ATOM 693 OD2 ASP A 46 -4.453 18.444 5.186 1.00 11.04 O ATOM 0 H ASP A 46 -5.026 13.582 7.663 1.00 71.25 H new ATOM 0 HA ASP A 46 -5.704 14.840 5.935 1.00 32.20 H new ATOM 0 HB2 ASP A 46 -5.403 16.724 7.535 1.00 15.05 H new ATOM 0 HB3 ASP A 46 -3.748 16.914 6.993 1.00 15.05 H new ATOM 698 N ILE A 47 -3.253 13.660 5.008 1.00 15.51 N ATOM 699 CA ILE A 47 -2.328 13.275 3.951 1.00 73.04 C ATOM 700 C ILE A 47 -3.096 12.809 2.715 1.00 60.40 C ATOM 701 O ILE A 47 -3.978 11.953 2.810 1.00 63.24 O ATOM 702 CB ILE A 47 -1.378 12.155 4.434 1.00 15.51 C ATOM 703 CG1 ILE A 47 -0.487 12.687 5.560 1.00 43.24 C ATOM 704 CG2 ILE A 47 -0.533 11.619 3.289 1.00 25.44 C ATOM 705 CD1 ILE A 47 0.457 11.657 6.137 1.00 4.21 C ATOM 0 H ILE A 47 -3.490 12.906 5.653 1.00 15.51 H new ATOM 0 HA ILE A 47 -1.731 14.148 3.689 1.00 73.04 H new ATOM 0 HB ILE A 47 -1.979 11.328 4.813 1.00 15.51 H new ATOM 0 HG12 ILE A 47 0.096 13.527 5.182 1.00 43.24 H new ATOM 0 HG13 ILE A 47 -1.120 13.072 6.359 1.00 43.24 H new ATOM 0 HG21 ILE A 47 0.125 10.833 3.659 1.00 25.44 H new ATOM 0 HG22 ILE A 47 -1.184 11.212 2.515 1.00 25.44 H new ATOM 0 HG23 ILE A 47 0.067 12.427 2.870 1.00 25.44 H new ATOM 0 HD11 ILE A 47 1.053 12.112 6.928 1.00 4.21 H new ATOM 0 HD12 ILE A 47 -0.117 10.826 6.547 1.00 4.21 H new ATOM 0 HD13 ILE A 47 1.117 11.289 5.352 1.00 4.21 H new ATOM 717 N GLY A 48 -2.761 13.382 1.564 1.00 44.11 N ATOM 718 CA GLY A 48 -3.418 13.019 0.323 1.00 13.21 C ATOM 719 C GLY A 48 -2.991 11.647 -0.160 1.00 0.41 C ATOM 720 O GLY A 48 -1.936 11.496 -0.778 1.00 4.31 O ATOM 0 H GLY A 48 -2.040 14.097 1.469 1.00 44.11 H new ATOM 0 HA2 GLY A 48 -4.498 13.034 0.466 1.00 13.21 H new ATOM 0 HA3 GLY A 48 -3.187 13.761 -0.441 1.00 13.21 H new ATOM 724 N HIS A 49 -3.819 10.652 0.112 1.00 62.32 N ATOM 725 CA HIS A 49 -3.476 9.268 -0.176 1.00 70.01 C ATOM 726 C HIS A 49 -4.511 8.632 -1.091 1.00 12.25 C ATOM 727 O HIS A 49 -5.676 9.028 -1.095 1.00 43.01 O ATOM 728 CB HIS A 49 -3.365 8.465 1.130 1.00 31.14 C ATOM 729 CG HIS A 49 -4.623 8.447 1.946 1.00 35.42 C ATOM 730 ND1 HIS A 49 -5.039 9.516 2.710 1.00 1.22 N ATOM 731 CD2 HIS A 49 -5.555 7.482 2.117 1.00 4.24 C ATOM 732 CE1 HIS A 49 -6.168 9.210 3.311 1.00 63.25 C ATOM 733 NE2 HIS A 49 -6.503 7.983 2.972 1.00 23.40 N ATOM 0 H HIS A 49 -4.739 10.778 0.534 1.00 62.32 H new ATOM 0 HA HIS A 49 -2.512 9.256 -0.685 1.00 70.01 H new ATOM 0 HB2 HIS A 49 -3.085 7.439 0.891 1.00 31.14 H new ATOM 0 HB3 HIS A 49 -2.559 8.883 1.733 1.00 31.14 H new ATOM 0 HD1 HIS A 49 -4.548 10.406 2.796 1.00 1.22 H new ATOM 0 HD2 HIS A 49 -5.553 6.501 1.665 1.00 4.24 H new ATOM 0 HE1 HIS A 49 -6.726 9.857 3.972 1.00 63.25 H new ATOM 742 N LEU A 50 -4.076 7.648 -1.857 1.00 41.20 N ATOM 743 CA LEU A 50 -4.961 6.916 -2.745 1.00 12.42 C ATOM 744 C LEU A 50 -4.802 5.413 -2.525 1.00 43.43 C ATOM 745 O LEU A 50 -3.798 4.819 -2.922 1.00 25.34 O ATOM 746 CB LEU A 50 -4.668 7.272 -4.205 1.00 34.44 C ATOM 747 CG LEU A 50 -5.606 6.632 -5.230 1.00 3.10 C ATOM 748 CD1 LEU A 50 -7.033 7.131 -5.038 1.00 13.43 C ATOM 749 CD2 LEU A 50 -5.123 6.914 -6.646 1.00 5.44 C ATOM 0 H LEU A 50 -3.105 7.335 -1.881 1.00 41.20 H new ATOM 0 HA LEU A 50 -5.990 7.197 -2.520 1.00 12.42 H new ATOM 0 HB2 LEU A 50 -4.719 8.355 -4.316 1.00 34.44 H new ATOM 0 HB3 LEU A 50 -3.645 6.975 -4.437 1.00 34.44 H new ATOM 0 HG LEU A 50 -5.599 5.553 -5.075 1.00 3.10 H new ATOM 0 HD11 LEU A 50 -7.684 6.664 -5.777 1.00 13.43 H new ATOM 0 HD12 LEU A 50 -7.377 6.873 -4.036 1.00 13.43 H new ATOM 0 HD13 LEU A 50 -7.060 8.213 -5.163 1.00 13.43 H new ATOM 0 HD21 LEU A 50 -5.803 6.451 -7.361 1.00 5.44 H new ATOM 0 HD22 LEU A 50 -5.098 7.991 -6.814 1.00 5.44 H new ATOM 0 HD23 LEU A 50 -4.122 6.503 -6.778 1.00 5.44 H new ATOM 761 N VAL A 51 -5.778 4.815 -1.855 1.00 61.53 N ATOM 762 CA VAL A 51 -5.789 3.375 -1.626 1.00 32.34 C ATOM 763 C VAL A 51 -7.130 2.777 -2.025 1.00 51.12 C ATOM 764 O VAL A 51 -8.155 3.048 -1.399 1.00 45.12 O ATOM 765 CB VAL A 51 -5.482 3.016 -0.152 1.00 65.45 C ATOM 766 CG1 VAL A 51 -3.996 3.135 0.130 1.00 4.14 C ATOM 767 CG2 VAL A 51 -6.275 3.894 0.809 1.00 4.42 C ATOM 0 H VAL A 51 -6.578 5.308 -1.458 1.00 61.53 H new ATOM 0 HA VAL A 51 -5.000 2.952 -2.248 1.00 32.34 H new ATOM 0 HB VAL A 51 -5.786 1.981 0.007 1.00 65.45 H new ATOM 0 HG11 VAL A 51 -3.802 2.878 1.171 1.00 4.14 H new ATOM 0 HG12 VAL A 51 -3.447 2.454 -0.520 1.00 4.14 H new ATOM 0 HG13 VAL A 51 -3.671 4.158 -0.058 1.00 4.14 H new ATOM 0 HG21 VAL A 51 -6.037 3.617 1.836 1.00 4.42 H new ATOM 0 HG22 VAL A 51 -6.014 4.940 0.646 1.00 4.42 H new ATOM 0 HG23 VAL A 51 -7.342 3.754 0.634 1.00 4.42 H new ATOM 999 N PRO A 67 -1.625 -8.010 -2.706 1.00 23.54 N ATOM 1000 CA PRO A 67 -0.598 -6.989 -2.499 1.00 32.20 C ATOM 1001 C PRO A 67 -1.156 -5.589 -2.723 1.00 72.34 C ATOM 1002 O PRO A 67 -1.451 -5.196 -3.852 1.00 3.10 O ATOM 1003 CB PRO A 67 0.473 -7.320 -3.549 1.00 12.30 C ATOM 1004 CG PRO A 67 0.172 -8.712 -3.995 1.00 63.24 C ATOM 1005 CD PRO A 67 -1.311 -8.876 -3.849 1.00 43.33 C ATOM 0 HA PRO A 67 -0.209 -6.995 -1.481 1.00 32.20 H new ATOM 0 HB2 PRO A 67 0.433 -6.622 -4.385 1.00 12.30 H new ATOM 0 HB3 PRO A 67 1.474 -7.251 -3.124 1.00 12.30 H new ATOM 0 HG2 PRO A 67 0.483 -8.867 -5.028 1.00 63.24 H new ATOM 0 HG3 PRO A 67 0.708 -9.442 -3.388 1.00 63.24 H new ATOM 0 HD2 PRO A 67 -1.842 -8.566 -4.749 1.00 43.33 H new ATOM 0 HD3 PRO A 67 -1.586 -9.913 -3.658 1.00 43.33 H new ATOM 1013 N ARG A 68 -1.319 -4.846 -1.643 1.00 21.42 N ATOM 1014 CA ARG A 68 -1.899 -3.513 -1.727 1.00 72.32 C ATOM 1015 C ARG A 68 -0.810 -2.454 -1.761 1.00 54.34 C ATOM 1016 O ARG A 68 0.171 -2.536 -1.023 1.00 74.21 O ATOM 1017 CB ARG A 68 -2.833 -3.262 -0.543 1.00 4.03 C ATOM 1018 CG ARG A 68 -3.610 -1.948 -0.614 1.00 2.54 C ATOM 1019 CD ARG A 68 -4.717 -1.989 -1.660 1.00 74.23 C ATOM 1020 NE ARG A 68 -4.233 -1.742 -3.024 1.00 42.25 N ATOM 1021 CZ ARG A 68 -4.211 -2.666 -3.990 1.00 14.52 C ATOM 1022 NH1 ARG A 68 -4.498 -3.929 -3.710 1.00 62.31 N ATOM 1023 NH2 ARG A 68 -3.881 -2.333 -5.231 1.00 55.13 N ATOM 0 H ARG A 68 -1.060 -5.139 -0.701 1.00 21.42 H new ATOM 0 HA ARG A 68 -2.474 -3.451 -2.651 1.00 72.32 H new ATOM 0 HB2 ARG A 68 -3.543 -4.086 -0.476 1.00 4.03 H new ATOM 0 HB3 ARG A 68 -2.246 -3.273 0.375 1.00 4.03 H new ATOM 0 HG2 ARG A 68 -4.043 -1.731 0.362 1.00 2.54 H new ATOM 0 HG3 ARG A 68 -2.923 -1.134 -0.846 1.00 2.54 H new ATOM 0 HD2 ARG A 68 -5.205 -2.963 -1.625 1.00 74.23 H new ATOM 0 HD3 ARG A 68 -5.473 -1.245 -1.409 1.00 74.23 H new ATOM 0 HE ARG A 68 -3.892 -0.807 -3.249 1.00 42.25 H new ATOM 0 HH11 ARG A 68 -4.736 -4.198 -2.756 1.00 62.31 H new ATOM 0 HH12 ARG A 68 -4.480 -4.632 -4.449 1.00 62.31 H new ATOM 0 HH21 ARG A 68 -3.642 -1.367 -5.453 1.00 55.13 H new ATOM 0 HH22 ARG A 68 -3.866 -3.043 -5.963 1.00 55.13 H new ATOM 1037 N ARG A 69 -0.995 -1.458 -2.615 1.00 71.11 N ATOM 1038 CA ARG A 69 -0.051 -0.359 -2.717 1.00 22.13 C ATOM 1039 C ARG A 69 -0.707 0.932 -2.246 1.00 41.35 C ATOM 1040 O ARG A 69 -1.846 1.224 -2.605 1.00 31.31 O ATOM 1041 CB ARG A 69 0.457 -0.207 -4.156 1.00 42.14 C ATOM 1042 CG ARG A 69 1.303 -1.379 -4.624 1.00 63.34 C ATOM 1043 CD ARG A 69 1.896 -1.130 -6.002 1.00 44.42 C ATOM 1044 NE ARG A 69 0.877 -1.086 -7.051 1.00 43.44 N ATOM 1045 CZ ARG A 69 1.069 -0.545 -8.255 1.00 44.23 C ATOM 1046 NH1 ARG A 69 2.218 0.038 -8.561 1.00 12.21 N ATOM 1047 NH2 ARG A 69 0.095 -0.585 -9.148 1.00 62.05 N ATOM 0 H ARG A 69 -1.792 -1.390 -3.248 1.00 71.11 H new ATOM 0 HA ARG A 69 0.805 -0.576 -2.079 1.00 22.13 H new ATOM 0 HB2 ARG A 69 -0.396 -0.094 -4.825 1.00 42.14 H new ATOM 0 HB3 ARG A 69 1.044 0.708 -4.231 1.00 42.14 H new ATOM 0 HG2 ARG A 69 2.106 -1.556 -3.909 1.00 63.34 H new ATOM 0 HG3 ARG A 69 0.693 -2.282 -4.648 1.00 63.34 H new ATOM 0 HD2 ARG A 69 2.445 -0.188 -5.993 1.00 44.42 H new ATOM 0 HD3 ARG A 69 2.616 -1.916 -6.232 1.00 44.42 H new ATOM 0 HE ARG A 69 -0.036 -1.494 -6.849 1.00 43.44 H new ATOM 0 HH11 ARG A 69 2.969 0.077 -7.872 1.00 12.21 H new ATOM 0 HH12 ARG A 69 2.352 0.448 -9.485 1.00 12.21 H new ATOM 0 HH21 ARG A 69 -0.794 -1.027 -8.914 1.00 62.05 H new ATOM 0 HH22 ARG A 69 0.232 -0.174 -10.071 1.00 62.05 H new ATOM 1061 N VAL A 70 0.005 1.677 -1.415 1.00 4.42 N ATOM 1062 CA VAL A 70 -0.496 2.937 -0.891 1.00 30.43 C ATOM 1063 C VAL A 70 0.174 4.090 -1.616 1.00 73.31 C ATOM 1064 O VAL A 70 1.382 4.259 -1.517 1.00 35.10 O ATOM 1065 CB VAL A 70 -0.220 3.062 0.621 1.00 31.22 C ATOM 1066 CG1 VAL A 70 -0.752 4.380 1.162 1.00 15.14 C ATOM 1067 CG2 VAL A 70 -0.830 1.891 1.372 1.00 20.33 C ATOM 0 H VAL A 70 0.938 1.428 -1.087 1.00 4.42 H new ATOM 0 HA VAL A 70 -1.574 2.966 -1.050 1.00 30.43 H new ATOM 0 HB VAL A 70 0.859 3.045 0.772 1.00 31.22 H new ATOM 0 HG11 VAL A 70 -0.545 4.445 2.230 1.00 15.14 H new ATOM 0 HG12 VAL A 70 -0.264 5.208 0.647 1.00 15.14 H new ATOM 0 HG13 VAL A 70 -1.828 4.433 0.997 1.00 15.14 H new ATOM 0 HG21 VAL A 70 -0.625 1.996 2.437 1.00 20.33 H new ATOM 0 HG22 VAL A 70 -1.908 1.876 1.209 1.00 20.33 H new ATOM 0 HG23 VAL A 70 -0.395 0.960 1.009 1.00 20.33 H new ATOM 1077 N LEU A 71 -0.598 4.863 -2.359 1.00 33.41 N ATOM 1078 CA LEU A 71 -0.037 5.965 -3.128 1.00 2.31 C ATOM 1079 C LEU A 71 -0.317 7.299 -2.458 1.00 53.20 C ATOM 1080 O LEU A 71 -1.373 7.494 -1.857 1.00 43.33 O ATOM 1081 CB LEU A 71 -0.588 5.986 -4.555 1.00 23.55 C ATOM 1082 CG LEU A 71 0.020 4.970 -5.523 1.00 4.31 C ATOM 1083 CD1 LEU A 71 -0.306 3.547 -5.101 1.00 72.20 C ATOM 1084 CD2 LEU A 71 -0.473 5.239 -6.934 1.00 12.24 C ATOM 0 H LEU A 71 -1.608 4.751 -2.448 1.00 33.41 H new ATOM 0 HA LEU A 71 1.041 5.808 -3.170 1.00 2.31 H new ATOM 0 HB2 LEU A 71 -1.664 5.817 -4.510 1.00 23.55 H new ATOM 0 HB3 LEU A 71 -0.439 6.984 -4.966 1.00 23.55 H new ATOM 0 HG LEU A 71 1.104 5.080 -5.502 1.00 4.31 H new ATOM 0 HD11 LEU A 71 0.139 2.847 -5.808 1.00 72.20 H new ATOM 0 HD12 LEU A 71 0.096 3.362 -4.105 1.00 72.20 H new ATOM 0 HD13 LEU A 71 -1.387 3.410 -5.087 1.00 72.20 H new ATOM 0 HD21 LEU A 71 -0.035 4.511 -7.617 1.00 12.24 H new ATOM 0 HD22 LEU A 71 -1.559 5.155 -6.962 1.00 12.24 H new ATOM 0 HD23 LEU A 71 -0.178 6.244 -7.237 1.00 12.24 H new ATOM 1096 N VAL A 72 0.643 8.205 -2.560 1.00 41.33 N ATOM 1097 CA VAL A 72 0.503 9.557 -2.038 1.00 21.14 C ATOM 1098 C VAL A 72 1.152 10.550 -2.995 1.00 75.45 C ATOM 1099 O VAL A 72 1.879 10.156 -3.912 1.00 75.03 O ATOM 1100 CB VAL A 72 1.145 9.718 -0.637 1.00 61.13 C ATOM 1101 CG1 VAL A 72 0.403 8.895 0.408 1.00 13.44 C ATOM 1102 CG2 VAL A 72 2.614 9.329 -0.673 1.00 12.23 C ATOM 0 H VAL A 72 1.542 8.024 -3.007 1.00 41.33 H new ATOM 0 HA VAL A 72 -0.565 9.754 -1.944 1.00 21.14 H new ATOM 0 HB VAL A 72 1.069 10.768 -0.355 1.00 61.13 H new ATOM 0 HG11 VAL A 72 0.877 9.029 1.380 1.00 13.44 H new ATOM 0 HG12 VAL A 72 -0.634 9.225 0.462 1.00 13.44 H new ATOM 0 HG13 VAL A 72 0.435 7.841 0.131 1.00 13.44 H new ATOM 0 HG21 VAL A 72 3.047 9.449 0.320 1.00 12.23 H new ATOM 0 HG22 VAL A 72 2.707 8.289 -0.986 1.00 12.23 H new ATOM 0 HG23 VAL A 72 3.143 9.970 -1.379 1.00 12.23 H new ATOM 1112 N HIS A 73 0.882 11.831 -2.792 1.00 21.02 N ATOM 1113 CA HIS A 73 1.500 12.881 -3.601 1.00 10.32 C ATOM 1114 C HIS A 73 2.948 13.057 -3.171 1.00 63.00 C ATOM 1115 O HIS A 73 3.320 12.617 -2.090 1.00 2.35 O ATOM 1116 CB HIS A 73 0.760 14.216 -3.441 1.00 1.24 C ATOM 1117 CG HIS A 73 -0.649 14.222 -3.949 1.00 61.22 C ATOM 1118 ND1 HIS A 73 -1.120 15.170 -4.831 1.00 71.43 N ATOM 1119 CD2 HIS A 73 -1.697 13.405 -3.683 1.00 65.33 C ATOM 1120 CE1 HIS A 73 -2.394 14.937 -5.083 1.00 74.34 C ATOM 1121 NE2 HIS A 73 -2.767 13.871 -4.401 1.00 34.31 N ATOM 0 H HIS A 73 0.241 12.172 -2.076 1.00 21.02 H new ATOM 0 HA HIS A 73 1.447 12.583 -4.648 1.00 10.32 H new ATOM 0 HB2 HIS A 73 0.751 14.485 -2.385 1.00 1.24 H new ATOM 0 HB3 HIS A 73 1.322 14.991 -3.963 1.00 1.24 H new ATOM 0 HD2 HIS A 73 -1.690 12.547 -3.027 1.00 65.33 H new ATOM 0 HE1 HIS A 73 -3.025 15.520 -5.737 1.00 74.34 H new ATOM 0 HE2 HIS A 73 -3.701 13.460 -4.407 1.00 34.31 H new ATOM 1130 N GLU A 74 3.770 13.700 -3.994 1.00 33.42 N ATOM 1131 CA GLU A 74 5.134 14.005 -3.581 1.00 24.25 C ATOM 1132 C GLU A 74 5.104 15.097 -2.519 1.00 72.24 C ATOM 1133 O GLU A 74 6.061 15.290 -1.773 1.00 64.35 O ATOM 1134 CB GLU A 74 6.005 14.429 -4.768 1.00 23.20 C ATOM 1135 CG GLU A 74 6.158 13.346 -5.822 1.00 52.20 C ATOM 1136 CD GLU A 74 7.446 13.480 -6.612 1.00 13.00 C ATOM 1137 OE1 GLU A 74 7.611 14.473 -7.343 1.00 12.41 O ATOM 1138 OE2 GLU A 74 8.304 12.581 -6.503 1.00 74.41 O ATOM 0 H GLU A 74 3.522 14.014 -4.932 1.00 33.42 H new ATOM 0 HA GLU A 74 5.580 13.102 -3.165 1.00 24.25 H new ATOM 0 HB2 GLU A 74 5.570 15.316 -5.229 1.00 23.20 H new ATOM 0 HB3 GLU A 74 6.992 14.711 -4.402 1.00 23.20 H new ATOM 0 HG2 GLU A 74 6.131 12.369 -5.340 1.00 52.20 H new ATOM 0 HG3 GLU A 74 5.310 13.387 -6.506 1.00 52.20 H new ATOM 1145 N ASP A 75 3.981 15.802 -2.463 1.00 54.05 N ATOM 1146 CA ASP A 75 3.719 16.780 -1.415 1.00 21.03 C ATOM 1147 C ASP A 75 3.574 16.067 -0.073 1.00 11.41 C ATOM 1148 O ASP A 75 4.037 16.543 0.964 1.00 32.21 O ATOM 1149 CB ASP A 75 2.422 17.544 -1.713 1.00 11.34 C ATOM 1150 CG ASP A 75 2.299 17.973 -3.162 1.00 1.31 C ATOM 1151 OD1 ASP A 75 2.049 17.097 -4.028 1.00 72.23 O ATOM 1152 OD2 ASP A 75 2.437 19.180 -3.444 1.00 1.42 O ATOM 0 H ASP A 75 3.226 15.712 -3.143 1.00 54.05 H new ATOM 0 HA ASP A 75 4.552 17.482 -1.377 1.00 21.03 H new ATOM 0 HB2 ASP A 75 1.570 16.915 -1.454 1.00 11.34 H new ATOM 0 HB3 ASP A 75 2.373 18.426 -1.075 1.00 11.34 H new ATOM 1157 N ASP A 76 2.946 14.900 -0.122 1.00 61.31 N ATOM 1158 CA ASP A 76 2.633 14.125 1.072 1.00 35.12 C ATOM 1159 C ASP A 76 3.682 13.048 1.298 1.00 24.43 C ATOM 1160 O ASP A 76 3.649 12.343 2.309 1.00 31.42 O ATOM 1161 CB ASP A 76 1.268 13.445 0.924 1.00 51.00 C ATOM 1162 CG ASP A 76 0.136 14.412 0.647 1.00 61.24 C ATOM 1163 OD1 ASP A 76 -0.129 14.702 -0.540 1.00 44.05 O ATOM 1164 OD2 ASP A 76 -0.512 14.868 1.609 1.00 21.45 O ATOM 0 H ASP A 76 2.639 14.463 -0.991 1.00 61.31 H new ATOM 0 HA ASP A 76 2.618 14.810 1.919 1.00 35.12 H new ATOM 0 HB2 ASP A 76 1.320 12.718 0.114 1.00 51.00 H new ATOM 0 HB3 ASP A 76 1.047 12.891 1.836 1.00 51.00 H new ATOM 1169 N LEU A 77 4.608 12.934 0.352 1.00 61.12 N ATOM 1170 CA LEU A 77 5.582 11.843 0.335 1.00 14.53 C ATOM 1171 C LEU A 77 6.323 11.743 1.665 1.00 40.52 C ATOM 1172 O LEU A 77 6.261 10.719 2.340 1.00 22.50 O ATOM 1173 CB LEU A 77 6.585 12.055 -0.807 1.00 42.40 C ATOM 1174 CG LEU A 77 6.949 10.808 -1.629 1.00 4.13 C ATOM 1175 CD1 LEU A 77 7.528 9.711 -0.752 1.00 73.22 C ATOM 1176 CD2 LEU A 77 5.736 10.294 -2.391 1.00 63.44 C ATOM 0 H LEU A 77 4.706 13.591 -0.422 1.00 61.12 H new ATOM 0 HA LEU A 77 5.042 10.909 0.176 1.00 14.53 H new ATOM 0 HB2 LEU A 77 6.179 12.806 -1.485 1.00 42.40 H new ATOM 0 HB3 LEU A 77 7.502 12.468 -0.386 1.00 42.40 H new ATOM 0 HG LEU A 77 7.715 11.100 -2.347 1.00 4.13 H new ATOM 0 HD11 LEU A 77 7.774 8.845 -1.367 1.00 73.22 H new ATOM 0 HD12 LEU A 77 8.431 10.076 -0.262 1.00 73.22 H new ATOM 0 HD13 LEU A 77 6.796 9.424 0.003 1.00 73.22 H new ATOM 0 HD21 LEU A 77 6.015 9.411 -2.966 1.00 63.44 H new ATOM 0 HD22 LEU A 77 4.947 10.033 -1.686 1.00 63.44 H new ATOM 0 HD23 LEU A 77 5.376 11.069 -3.068 1.00 63.44 H new ATOM 1188 N ALA A 78 6.986 12.820 2.055 1.00 31.24 N ATOM 1189 CA ALA A 78 7.768 12.831 3.284 1.00 54.11 C ATOM 1190 C ALA A 78 6.869 12.759 4.510 1.00 41.44 C ATOM 1191 O ALA A 78 7.231 12.158 5.524 1.00 3.13 O ATOM 1192 CB ALA A 78 8.640 14.070 3.335 1.00 44.22 C ATOM 0 H ALA A 78 6.999 13.700 1.539 1.00 31.24 H new ATOM 0 HA ALA A 78 8.407 11.948 3.289 1.00 54.11 H new ATOM 0 HB1 ALA A 78 9.220 14.069 4.258 1.00 44.22 H new ATOM 0 HB2 ALA A 78 9.317 14.074 2.480 1.00 44.22 H new ATOM 0 HB3 ALA A 78 8.011 14.959 3.304 1.00 44.22 H new ATOM 1198 N GLY A 79 5.686 13.350 4.395 1.00 22.23 N ATOM 1199 CA GLY A 79 4.749 13.354 5.498 1.00 41.51 C ATOM 1200 C GLY A 79 4.306 11.955 5.873 1.00 22.11 C ATOM 1201 O GLY A 79 4.310 11.585 7.050 1.00 62.43 O ATOM 0 H GLY A 79 5.360 13.827 3.555 1.00 22.23 H new ATOM 0 HA2 GLY A 79 5.209 13.832 6.363 1.00 41.51 H new ATOM 0 HA3 GLY A 79 3.877 13.951 5.230 1.00 41.51 H new ATOM 1205 N ALA A 80 3.941 11.171 4.864 1.00 24.12 N ATOM 1206 CA ALA A 80 3.506 9.800 5.077 1.00 55.21 C ATOM 1207 C ALA A 80 4.668 8.928 5.540 1.00 23.32 C ATOM 1208 O ALA A 80 4.509 8.099 6.438 1.00 4.10 O ATOM 1209 CB ALA A 80 2.886 9.236 3.805 1.00 5.13 C ATOM 0 H ALA A 80 3.939 11.466 3.887 1.00 24.12 H new ATOM 0 HA ALA A 80 2.749 9.799 5.861 1.00 55.21 H new ATOM 0 HB1 ALA A 80 2.565 8.209 3.981 1.00 5.13 H new ATOM 0 HB2 ALA A 80 2.025 9.841 3.521 1.00 5.13 H new ATOM 0 HB3 ALA A 80 3.623 9.254 3.002 1.00 5.13 H new ATOM 1215 N ARG A 81 5.841 9.135 4.940 1.00 65.45 N ATOM 1216 CA ARG A 81 7.025 8.355 5.286 1.00 51.33 C ATOM 1217 C ARG A 81 7.344 8.478 6.769 1.00 70.33 C ATOM 1218 O ARG A 81 7.463 7.474 7.472 1.00 3.35 O ATOM 1219 CB ARG A 81 8.240 8.804 4.477 1.00 73.31 C ATOM 1220 CG ARG A 81 8.121 8.540 2.991 1.00 43.32 C ATOM 1221 CD ARG A 81 9.371 8.979 2.250 1.00 70.34 C ATOM 1222 NE ARG A 81 10.524 8.139 2.570 1.00 61.33 N ATOM 1223 CZ ARG A 81 11.431 7.767 1.672 1.00 71.40 C ATOM 1224 NH1 ARG A 81 11.411 8.301 0.453 1.00 74.44 N ATOM 1225 NH2 ARG A 81 12.380 6.900 2.007 1.00 62.15 N ATOM 0 H ARG A 81 5.994 9.835 4.214 1.00 65.45 H new ATOM 0 HA ARG A 81 6.803 7.315 5.048 1.00 51.33 H new ATOM 0 HB2 ARG A 81 8.395 9.871 4.635 1.00 73.31 H new ATOM 0 HB3 ARG A 81 9.125 8.294 4.857 1.00 73.31 H new ATOM 0 HG2 ARG A 81 7.950 7.477 2.821 1.00 43.32 H new ATOM 0 HG3 ARG A 81 7.255 9.070 2.594 1.00 43.32 H new ATOM 0 HD2 ARG A 81 9.186 8.946 1.176 1.00 70.34 H new ATOM 0 HD3 ARG A 81 9.597 10.015 2.503 1.00 70.34 H new ATOM 0 HE ARG A 81 10.639 7.822 3.533 1.00 61.33 H new ATOM 0 HH11 ARG A 81 10.702 8.993 0.211 1.00 74.44 H new ATOM 0 HH12 ARG A 81 12.105 8.018 -0.239 1.00 74.44 H new ATOM 0 HH21 ARG A 81 12.413 6.520 2.953 1.00 62.15 H new ATOM 0 HH22 ARG A 81 13.076 6.614 1.318 1.00 62.15 H new ATOM 1239 N ARG A 82 7.471 9.709 7.248 1.00 13.03 N ATOM 1240 CA ARG A 82 7.846 9.934 8.634 1.00 12.20 C ATOM 1241 C ARG A 82 6.742 9.471 9.577 1.00 51.54 C ATOM 1242 O ARG A 82 7.029 8.915 10.629 1.00 14.54 O ATOM 1243 CB ARG A 82 8.189 11.401 8.897 1.00 40.21 C ATOM 1244 CG ARG A 82 8.665 11.641 10.319 1.00 64.02 C ATOM 1245 CD ARG A 82 9.176 13.057 10.523 1.00 10.51 C ATOM 1246 NE ARG A 82 9.579 13.273 11.912 1.00 22.41 N ATOM 1247 CZ ARG A 82 10.410 14.230 12.321 1.00 55.10 C ATOM 1248 NH1 ARG A 82 10.945 15.077 11.450 1.00 34.21 N ATOM 1249 NH2 ARG A 82 10.700 14.334 13.613 1.00 43.34 N ATOM 0 H ARG A 82 7.321 10.558 6.702 1.00 13.03 H new ATOM 0 HA ARG A 82 8.741 9.343 8.826 1.00 12.20 H new ATOM 0 HB2 ARG A 82 8.963 11.720 8.199 1.00 40.21 H new ATOM 0 HB3 ARG A 82 7.311 12.017 8.702 1.00 40.21 H new ATOM 0 HG2 ARG A 82 7.846 11.449 11.012 1.00 64.02 H new ATOM 0 HG3 ARG A 82 9.458 10.933 10.559 1.00 64.02 H new ATOM 0 HD2 ARG A 82 10.023 13.241 9.862 1.00 10.51 H new ATOM 0 HD3 ARG A 82 8.399 13.771 10.251 1.00 10.51 H new ATOM 0 HE ARG A 82 9.196 12.645 12.619 1.00 22.41 H new ATOM 0 HH11 ARG A 82 10.721 14.998 10.458 1.00 34.21 H new ATOM 0 HH12 ARG A 82 11.580 15.807 11.773 1.00 34.21 H new ATOM 0 HH21 ARG A 82 10.287 13.684 14.282 1.00 43.34 H new ATOM 0 HH22 ARG A 82 11.335 15.064 13.936 1.00 43.34 H new ATOM 1263 N LEU A 83 5.487 9.678 9.192 1.00 60.51 N ATOM 1264 CA LEU A 83 4.357 9.254 10.014 1.00 1.20 C ATOM 1265 C LEU A 83 4.400 7.747 10.258 1.00 14.14 C ATOM 1266 O LEU A 83 4.401 7.287 11.403 1.00 51.01 O ATOM 1267 CB LEU A 83 3.036 9.639 9.345 1.00 2.24 C ATOM 1268 CG LEU A 83 1.776 9.246 10.118 1.00 41.14 C ATOM 1269 CD1 LEU A 83 1.703 9.985 11.444 1.00 64.31 C ATOM 1270 CD2 LEU A 83 0.536 9.523 9.284 1.00 43.32 C ATOM 0 H LEU A 83 5.226 10.135 8.318 1.00 60.51 H new ATOM 0 HA LEU A 83 4.427 9.763 10.975 1.00 1.20 H new ATOM 0 HB2 LEU A 83 3.026 10.718 9.190 1.00 2.24 H new ATOM 0 HB3 LEU A 83 2.998 9.175 8.359 1.00 2.24 H new ATOM 0 HG LEU A 83 1.822 8.177 10.328 1.00 41.14 H new ATOM 0 HD11 LEU A 83 0.799 9.689 11.976 1.00 64.31 H new ATOM 0 HD12 LEU A 83 2.576 9.737 12.047 1.00 64.31 H new ATOM 0 HD13 LEU A 83 1.682 11.059 11.261 1.00 64.31 H new ATOM 0 HD21 LEU A 83 -0.353 9.238 9.847 1.00 43.32 H new ATOM 0 HD22 LEU A 83 0.489 10.585 9.044 1.00 43.32 H new ATOM 0 HD23 LEU A 83 0.581 8.944 8.361 1.00 43.32 H new ATOM 1282 N LEU A 84 4.459 6.988 9.172 1.00 63.22 N ATOM 1283 CA LEU A 84 4.478 5.531 9.241 1.00 12.25 C ATOM 1284 C LEU A 84 5.755 5.013 9.898 1.00 4.33 C ATOM 1285 O LEU A 84 5.769 3.925 10.471 1.00 35.34 O ATOM 1286 CB LEU A 84 4.331 4.936 7.840 1.00 54.13 C ATOM 1287 CG LEU A 84 3.043 5.318 7.110 1.00 71.34 C ATOM 1288 CD1 LEU A 84 3.007 4.684 5.732 1.00 52.43 C ATOM 1289 CD2 LEU A 84 1.828 4.898 7.918 1.00 14.41 C ATOM 0 H LEU A 84 4.495 7.361 8.223 1.00 63.22 H new ATOM 0 HA LEU A 84 3.636 5.218 9.858 1.00 12.25 H new ATOM 0 HB2 LEU A 84 5.181 5.252 7.236 1.00 54.13 H new ATOM 0 HB3 LEU A 84 4.380 3.850 7.915 1.00 54.13 H new ATOM 0 HG LEU A 84 3.022 6.402 6.994 1.00 71.34 H new ATOM 0 HD11 LEU A 84 2.084 4.966 5.226 1.00 52.43 H new ATOM 0 HD12 LEU A 84 3.861 5.031 5.150 1.00 52.43 H new ATOM 0 HD13 LEU A 84 3.051 3.599 5.829 1.00 52.43 H new ATOM 0 HD21 LEU A 84 0.921 5.178 7.383 1.00 14.41 H new ATOM 0 HD22 LEU A 84 1.844 3.818 8.065 1.00 14.41 H new ATOM 0 HD23 LEU A 84 1.846 5.396 8.887 1.00 14.41 H new ATOM 1301 N THR A 85 6.835 5.774 9.792 1.00 42.43 N ATOM 1302 CA THR A 85 8.096 5.390 10.418 1.00 4.30 C ATOM 1303 C THR A 85 8.087 5.714 11.912 1.00 23.41 C ATOM 1304 O THR A 85 8.507 4.900 12.736 1.00 12.11 O ATOM 1305 CB THR A 85 9.293 6.098 9.744 1.00 11.03 C ATOM 1306 OG1 THR A 85 9.304 5.804 8.341 1.00 15.00 O ATOM 1307 CG2 THR A 85 10.616 5.666 10.365 1.00 33.14 C ATOM 0 H THR A 85 6.866 6.657 9.282 1.00 42.43 H new ATOM 0 HA THR A 85 8.206 4.313 10.289 1.00 4.30 H new ATOM 0 HB THR A 85 9.178 7.171 9.897 1.00 11.03 H new ATOM 0 HG1 THR A 85 8.907 6.552 7.847 1.00 15.00 H new ATOM 0 HG21 THR A 85 11.437 6.183 9.868 1.00 33.14 H new ATOM 0 HG22 THR A 85 10.619 5.916 11.426 1.00 33.14 H new ATOM 0 HG23 THR A 85 10.739 4.590 10.246 1.00 33.14 H new ATOM 1315 N ASP A 86 7.572 6.889 12.249 1.00 43.10 N ATOM 1316 CA ASP A 86 7.628 7.401 13.614 1.00 25.02 C ATOM 1317 C ASP A 86 6.725 6.620 14.561 1.00 34.22 C ATOM 1318 O ASP A 86 7.130 6.292 15.677 1.00 0.45 O ATOM 1319 CB ASP A 86 7.232 8.879 13.632 1.00 24.33 C ATOM 1320 CG ASP A 86 7.298 9.499 15.013 1.00 60.03 C ATOM 1321 OD1 ASP A 86 8.396 9.937 15.420 1.00 41.33 O ATOM 1322 OD2 ASP A 86 6.251 9.561 15.689 1.00 44.42 O ATOM 0 H ASP A 86 7.106 7.512 11.589 1.00 43.10 H new ATOM 0 HA ASP A 86 8.654 7.283 13.963 1.00 25.02 H new ATOM 0 HB2 ASP A 86 7.889 9.432 12.961 1.00 24.33 H new ATOM 0 HB3 ASP A 86 6.219 8.982 13.243 1.00 24.33 H new ATOM 1327 N ALA A 87 5.505 6.319 14.128 1.00 13.04 N ATOM 1328 CA ALA A 87 4.549 5.652 15.006 1.00 24.41 C ATOM 1329 C ALA A 87 3.868 4.472 14.331 1.00 11.12 C ATOM 1330 O ALA A 87 2.780 4.060 14.732 1.00 14.22 O ATOM 1331 CB ALA A 87 3.515 6.649 15.506 1.00 43.21 C ATOM 0 H ALA A 87 5.158 6.522 13.190 1.00 13.04 H new ATOM 0 HA ALA A 87 5.108 5.254 15.853 1.00 24.41 H new ATOM 0 HB1 ALA A 87 2.806 6.141 16.160 1.00 43.21 H new ATOM 0 HB2 ALA A 87 4.014 7.444 16.060 1.00 43.21 H new ATOM 0 HB3 ALA A 87 2.982 7.077 14.657 1.00 43.21 H new ATOM 1337 N GLY A 88 4.514 3.915 13.324 1.00 73.50 N ATOM 1338 CA GLY A 88 3.967 2.748 12.671 1.00 33.33 C ATOM 1339 C GLY A 88 4.917 1.576 12.744 1.00 51.25 C ATOM 1340 O GLY A 88 4.833 0.750 13.657 1.00 3.31 O ATOM 0 H GLY A 88 5.402 4.247 12.948 1.00 73.50 H new ATOM 0 HA2 GLY A 88 3.019 2.479 13.138 1.00 33.33 H new ATOM 0 HA3 GLY A 88 3.754 2.980 11.628 1.00 33.33 H new ATOM 1344 N LEU A 89 5.856 1.544 11.809 1.00 11.10 N ATOM 1345 CA LEU A 89 6.801 0.433 11.681 1.00 10.45 C ATOM 1346 C LEU A 89 7.798 0.673 10.548 1.00 70.12 C ATOM 1347 O LEU A 89 8.941 0.229 10.627 1.00 3.44 O ATOM 1348 CB LEU A 89 6.072 -0.916 11.489 1.00 51.41 C ATOM 1349 CG LEU A 89 4.777 -0.893 10.658 1.00 44.32 C ATOM 1350 CD1 LEU A 89 5.058 -0.753 9.169 1.00 50.31 C ATOM 1351 CD2 LEU A 89 3.963 -2.148 10.927 1.00 23.53 C ATOM 0 H LEU A 89 5.988 2.282 11.118 1.00 11.10 H new ATOM 0 HA LEU A 89 7.359 0.381 12.616 1.00 10.45 H new ATOM 0 HB2 LEU A 89 6.765 -1.613 11.018 1.00 51.41 H new ATOM 0 HB3 LEU A 89 5.836 -1.318 12.474 1.00 51.41 H new ATOM 0 HG LEU A 89 4.204 -0.018 10.964 1.00 44.32 H new ATOM 0 HD11 LEU A 89 4.116 -0.741 8.621 1.00 50.31 H new ATOM 0 HD12 LEU A 89 5.596 0.177 8.986 1.00 50.31 H new ATOM 0 HD13 LEU A 89 5.663 -1.595 8.832 1.00 50.31 H new ATOM 0 HD21 LEU A 89 3.049 -2.122 10.334 1.00 23.53 H new ATOM 0 HD22 LEU A 89 4.548 -3.026 10.654 1.00 23.53 H new ATOM 0 HD23 LEU A 89 3.708 -2.196 11.986 1.00 23.53 H new ATOM 1363 N ALA A 90 7.357 1.374 9.494 1.00 11.12 N ATOM 1364 CA ALA A 90 8.219 1.687 8.342 1.00 62.01 C ATOM 1365 C ALA A 90 8.750 0.417 7.671 1.00 2.50 C ATOM 1366 O ALA A 90 9.778 0.443 6.999 1.00 72.51 O ATOM 1367 CB ALA A 90 9.381 2.571 8.771 1.00 50.24 C ATOM 0 H ALA A 90 6.407 1.736 9.414 1.00 11.12 H new ATOM 0 HA ALA A 90 7.609 2.223 7.615 1.00 62.01 H new ATOM 0 HB1 ALA A 90 10.008 2.793 7.907 1.00 50.24 H new ATOM 0 HB2 ALA A 90 8.996 3.501 9.188 1.00 50.24 H new ATOM 0 HB3 ALA A 90 9.973 2.053 9.526 1.00 50.24 H new ATOM 1373 N HIS A 91 8.029 -0.680 7.837 1.00 62.15 N ATOM 1374 CA HIS A 91 8.472 -1.977 7.330 1.00 1.02 C ATOM 1375 C HIS A 91 7.971 -2.213 5.907 1.00 13.41 C ATOM 1376 O HIS A 91 8.552 -2.990 5.155 1.00 71.13 O ATOM 1377 CB HIS A 91 7.966 -3.083 8.268 1.00 52.21 C ATOM 1378 CG HIS A 91 8.427 -4.465 7.919 1.00 21.23 C ATOM 1379 ND1 HIS A 91 9.558 -5.035 8.451 1.00 60.04 N ATOM 1380 CD2 HIS A 91 7.878 -5.406 7.115 1.00 14.43 C ATOM 1381 CE1 HIS A 91 9.691 -6.263 7.987 1.00 65.31 C ATOM 1382 NE2 HIS A 91 8.682 -6.514 7.174 1.00 1.01 N ATOM 0 H HIS A 91 7.131 -0.702 8.320 1.00 62.15 H new ATOM 0 HA HIS A 91 9.562 -1.992 7.301 1.00 1.02 H new ATOM 0 HB2 HIS A 91 8.288 -2.854 9.284 1.00 52.21 H new ATOM 0 HB3 HIS A 91 6.876 -3.068 8.269 1.00 52.21 H new ATOM 0 HD2 HIS A 91 6.973 -5.302 6.534 1.00 14.43 H new ATOM 0 HE1 HIS A 91 10.490 -6.947 8.231 1.00 65.31 H new ATOM 0 HE2 HIS A 91 8.526 -7.388 6.672 1.00 1.01 H new ATOM 1391 N GLU A 92 6.902 -1.522 5.539 1.00 40.54 N ATOM 1392 CA GLU A 92 6.247 -1.761 4.258 1.00 13.44 C ATOM 1393 C GLU A 92 6.786 -0.835 3.166 1.00 43.13 C ATOM 1394 O GLU A 92 6.462 -0.999 1.987 1.00 21.05 O ATOM 1395 CB GLU A 92 4.737 -1.562 4.405 1.00 22.11 C ATOM 1396 CG GLU A 92 4.130 -2.294 5.594 1.00 14.51 C ATOM 1397 CD GLU A 92 4.274 -3.798 5.496 1.00 4.15 C ATOM 1398 OE1 GLU A 92 5.323 -4.323 5.912 1.00 42.14 O ATOM 1399 OE2 GLU A 92 3.332 -4.458 5.018 1.00 42.40 O ATOM 0 H GLU A 92 6.469 -0.793 6.106 1.00 40.54 H new ATOM 0 HA GLU A 92 6.459 -2.788 3.960 1.00 13.44 H new ATOM 0 HB2 GLU A 92 4.529 -0.496 4.502 1.00 22.11 H new ATOM 0 HB3 GLU A 92 4.245 -1.901 3.493 1.00 22.11 H new ATOM 0 HG2 GLU A 92 4.608 -1.947 6.510 1.00 14.51 H new ATOM 0 HG3 GLU A 92 3.073 -2.039 5.670 1.00 14.51 H new ATOM 1406 N LEU A 93 7.611 0.135 3.559 1.00 25.24 N ATOM 1407 CA LEU A 93 8.132 1.132 2.624 1.00 32.33 C ATOM 1408 C LEU A 93 9.137 0.499 1.665 1.00 33.30 C ATOM 1409 O LEU A 93 10.322 0.375 1.975 1.00 73.04 O ATOM 1410 CB LEU A 93 8.778 2.311 3.373 1.00 15.31 C ATOM 1411 CG LEU A 93 7.812 3.267 4.091 1.00 42.33 C ATOM 1412 CD1 LEU A 93 7.179 2.611 5.305 1.00 11.52 C ATOM 1413 CD2 LEU A 93 8.533 4.545 4.489 1.00 70.33 C ATOM 0 H LEU A 93 7.933 0.252 4.520 1.00 25.24 H new ATOM 0 HA LEU A 93 7.292 1.516 2.045 1.00 32.33 H new ATOM 0 HB2 LEU A 93 9.474 1.910 4.110 1.00 15.31 H new ATOM 0 HB3 LEU A 93 9.366 2.889 2.660 1.00 15.31 H new ATOM 0 HG LEU A 93 7.010 3.517 3.396 1.00 42.33 H new ATOM 0 HD11 LEU A 93 6.502 3.316 5.788 1.00 11.52 H new ATOM 0 HD12 LEU A 93 6.621 1.728 4.992 1.00 11.52 H new ATOM 0 HD13 LEU A 93 7.959 2.317 6.008 1.00 11.52 H new ATOM 0 HD21 LEU A 93 7.837 5.213 4.996 1.00 70.33 H new ATOM 0 HD22 LEU A 93 9.358 4.304 5.159 1.00 70.33 H new ATOM 0 HD23 LEU A 93 8.922 5.036 3.597 1.00 70.33 H new ATOM 1425 N ARG A 94 8.647 0.094 0.502 1.00 54.41 N ATOM 1426 CA ARG A 94 9.460 -0.630 -0.467 1.00 11.24 C ATOM 1427 C ARG A 94 9.216 -0.138 -1.888 1.00 41.24 C ATOM 1428 O ARG A 94 9.394 -0.885 -2.850 1.00 21.51 O ATOM 1429 CB ARG A 94 9.159 -2.125 -0.386 1.00 74.43 C ATOM 1430 CG ARG A 94 10.015 -2.868 0.626 1.00 52.24 C ATOM 1431 CD ARG A 94 9.731 -4.359 0.598 1.00 22.54 C ATOM 1432 NE ARG A 94 10.647 -5.107 1.457 1.00 41.22 N ATOM 1433 CZ ARG A 94 10.500 -6.395 1.754 1.00 41.30 C ATOM 1434 NH1 ARG A 94 9.461 -7.072 1.288 1.00 22.24 N ATOM 1435 NH2 ARG A 94 11.399 -7.000 2.520 1.00 72.11 N ATOM 0 H ARG A 94 7.685 0.255 0.205 1.00 54.41 H new ATOM 0 HA ARG A 94 10.506 -0.448 -0.221 1.00 11.24 H new ATOM 0 HB2 ARG A 94 8.108 -2.261 -0.129 1.00 74.43 H new ATOM 0 HB3 ARG A 94 9.307 -2.570 -1.370 1.00 74.43 H new ATOM 0 HG2 ARG A 94 11.069 -2.692 0.413 1.00 52.24 H new ATOM 0 HG3 ARG A 94 9.822 -2.477 1.625 1.00 52.24 H new ATOM 0 HD2 ARG A 94 8.705 -4.539 0.919 1.00 22.54 H new ATOM 0 HD3 ARG A 94 9.814 -4.725 -0.425 1.00 22.54 H new ATOM 0 HE ARG A 94 11.446 -4.612 1.852 1.00 41.22 H new ATOM 0 HH11 ARG A 94 8.771 -6.606 0.699 1.00 22.24 H new ATOM 0 HH12 ARG A 94 9.351 -8.060 1.518 1.00 22.24 H new ATOM 0 HH21 ARG A 94 12.198 -6.477 2.878 1.00 72.11 H new ATOM 0 HH22 ARG A 94 11.291 -7.988 2.751 1.00 72.11 H new