USER MOD reduce.3.24.130724 H: found=0, std=0, add=506, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 506 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 6 TYR OH : rot -97:sc= 0.0222 USER MOD Single : A 7 SER OG : rot -104:sc= 1.25 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 65:sc= 1.21 USER MOD Single : A 13 MET CE :methyl 163:sc= -8.04! (180deg=-8.65!) USER MOD Single : A 18 CYS SG : rot 125:sc= 0.517 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 28 GLN : amide:sc= -0.063 X(o=-0.063,f=0) USER MOD Single : A 33 ASN :FLIP amide:sc=-0.00468 F(o=-0.64,f=-0.0047) USER MOD Single : A 34 GLN : amide:sc= -0.108 X(o=-0.11,f=-0.19) USER MOD Single : A 36 GLN : amide:sc= -0.281 X(o=-0.28,f=0) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0.0251 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 ASN :FLIP amide:sc= -0.21 F(o=-1.1,f=-0.21) USER MOD Single : A 55 GLN : amide:sc= -0.0463 X(o=-0.046,f=-0.042) USER MOD Single : A 58 SER OG : rot 180:sc= -0.309 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ -151:sc=-0.00826 (180deg=-0.434) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 1.740 -3.292 11.805 1.00 0.72 N ATOM 34 CA ARG A 5 2.434 -2.865 10.613 1.00 0.66 C ATOM 35 C ARG A 5 2.427 -4.043 9.652 1.00 0.61 C ATOM 36 O ARG A 5 2.856 -5.138 10.008 1.00 0.72 O ATOM 37 CB ARG A 5 3.851 -2.388 10.944 1.00 0.80 C ATOM 38 CG ARG A 5 4.534 -1.857 9.678 1.00 0.97 C ATOM 39 CD ARG A 5 5.281 -2.910 8.832 1.00 0.66 C ATOM 40 NE ARG A 5 6.623 -3.226 9.340 1.00 0.88 N ATOM 41 CZ ARG A 5 7.712 -2.463 9.161 1.00 1.35 C ATOM 42 NH1 ARG A 5 7.581 -1.250 8.617 1.00 2.85 N ATOM 43 NH2 ARG A 5 8.918 -2.919 9.520 1.00 1.46 N ATOM 0 HA ARG A 5 1.939 -2.011 10.152 1.00 0.66 H new ATOM 0 HB2 ARG A 5 3.813 -1.606 11.702 1.00 0.80 H new ATOM 0 HB3 ARG A 5 4.432 -3.210 11.363 1.00 0.80 H new ATOM 0 HG2 ARG A 5 3.779 -1.383 9.051 1.00 0.97 H new ATOM 0 HG3 ARG A 5 5.242 -1.080 9.967 1.00 0.97 H new ATOM 0 HD2 ARG A 5 4.689 -3.825 8.799 1.00 0.66 H new ATOM 0 HD3 ARG A 5 5.365 -2.548 7.807 1.00 0.66 H new ATOM 0 HE ARG A 5 6.735 -4.091 9.869 1.00 0.88 H new ATOM 0 HH11 ARG A 5 6.659 -0.911 8.342 1.00 2.85 H new ATOM 0 HH12 ARG A 5 8.403 -0.662 8.477 1.00 2.85 H new ATOM 0 HH21 ARG A 5 9.010 -3.848 9.930 1.00 1.46 H new ATOM 0 HH22 ARG A 5 9.745 -2.337 9.383 1.00 1.46 H new ATOM 57 N TYR A 6 1.971 -3.799 8.428 1.00 0.51 N ATOM 58 CA TYR A 6 2.046 -4.733 7.318 1.00 0.42 C ATOM 59 C TYR A 6 2.859 -4.085 6.188 1.00 0.38 C ATOM 60 O TYR A 6 2.965 -2.858 6.147 1.00 0.59 O ATOM 61 CB TYR A 6 0.619 -5.031 6.867 1.00 0.56 C ATOM 62 CG TYR A 6 -0.347 -5.494 7.933 1.00 0.74 C ATOM 63 CD1 TYR A 6 -0.487 -6.867 8.195 1.00 2.27 C ATOM 64 CD2 TYR A 6 -1.320 -4.592 8.396 1.00 1.54 C ATOM 65 CE1 TYR A 6 -1.612 -7.334 8.893 1.00 2.38 C ATOM 66 CE2 TYR A 6 -2.494 -5.073 8.991 1.00 1.60 C ATOM 67 CZ TYR A 6 -2.605 -6.436 9.318 1.00 1.13 C ATOM 68 OH TYR A 6 -3.707 -6.913 9.962 1.00 1.35 O ATOM 0 H TYR A 6 1.525 -2.917 8.177 1.00 0.51 H new ATOM 0 HA TYR A 6 2.536 -5.664 7.604 1.00 0.42 H new ATOM 0 HB2 TYR A 6 0.212 -4.130 6.407 1.00 0.56 H new ATOM 0 HB3 TYR A 6 0.660 -5.795 6.090 1.00 0.56 H new ATOM 0 HD1 TYR A 6 0.269 -7.562 7.860 1.00 2.27 H new ATOM 0 HD2 TYR A 6 -1.163 -3.528 8.293 1.00 1.54 H new ATOM 0 HE1 TYR A 6 -1.714 -8.388 9.104 1.00 2.38 H new ATOM 0 HE2 TYR A 6 -3.312 -4.398 9.198 1.00 1.60 H new ATOM 0 HH TYR A 6 -4.443 -7.010 9.322 1.00 1.35 H new ATOM 78 N SER A 7 3.430 -4.881 5.276 1.00 0.30 N ATOM 79 CA SER A 7 4.212 -4.384 4.143 1.00 0.22 C ATOM 80 C SER A 7 3.934 -5.210 2.904 1.00 0.17 C ATOM 81 O SER A 7 3.560 -6.380 2.990 1.00 0.23 O ATOM 82 CB SER A 7 5.717 -4.453 4.477 1.00 0.26 C ATOM 83 OG SER A 7 6.542 -3.840 3.496 1.00 1.58 O ATOM 0 H SER A 7 3.360 -5.898 5.306 1.00 0.30 H new ATOM 0 HA SER A 7 3.926 -3.350 3.951 1.00 0.22 H new ATOM 0 HB2 SER A 7 5.890 -3.971 5.439 1.00 0.26 H new ATOM 0 HB3 SER A 7 6.010 -5.497 4.586 1.00 0.26 H new ATOM 0 HG SER A 7 6.980 -4.532 2.958 1.00 1.58 H new ATOM 89 N TRP A 8 4.132 -4.558 1.762 1.00 0.15 N ATOM 90 CA TRP A 8 4.021 -5.117 0.444 1.00 0.15 C ATOM 91 C TRP A 8 5.180 -4.615 -0.401 1.00 0.17 C ATOM 92 O TRP A 8 5.496 -3.424 -0.358 1.00 0.19 O ATOM 93 CB TRP A 8 2.683 -4.670 -0.145 1.00 0.21 C ATOM 94 CG TRP A 8 1.544 -5.146 0.678 1.00 0.20 C ATOM 95 CD1 TRP A 8 1.121 -6.414 0.815 1.00 0.30 C ATOM 96 CD2 TRP A 8 0.787 -4.455 1.678 1.00 0.20 C ATOM 97 NE1 TRP A 8 0.430 -6.501 2.021 1.00 0.26 N ATOM 98 CE2 TRP A 8 0.579 -5.322 2.757 1.00 0.22 C ATOM 99 CE3 TRP A 8 0.104 -3.251 1.807 1.00 0.32 C ATOM 100 CZ2 TRP A 8 0.184 -4.714 3.983 1.00 0.28 C ATOM 101 CZ3 TRP A 8 -1.051 -3.295 2.642 1.00 0.38 C ATOM 102 CH2 TRP A 8 -0.809 -3.738 3.914 1.00 0.30 C ATOM 0 H TRP A 8 4.388 -3.571 1.745 1.00 0.15 H new ATOM 0 HA TRP A 8 4.059 -6.206 0.469 1.00 0.15 H new ATOM 0 HB2 TRP A 8 2.657 -3.582 -0.210 1.00 0.21 H new ATOM 0 HB3 TRP A 8 2.585 -5.052 -1.161 1.00 0.21 H new ATOM 0 HD1 TRP A 8 1.287 -7.220 0.116 1.00 0.30 H new ATOM 0 HE1 TRP A 8 -0.109 -7.312 2.325 1.00 0.26 H new ATOM 0 HE3 TRP A 8 0.425 -2.347 1.310 1.00 0.32 H new ATOM 0 HZ2 TRP A 8 0.633 -4.996 4.924 1.00 0.28 H new ATOM 0 HZ3 TRP A 8 -2.033 -3.004 2.300 1.00 0.38 H new ATOM 0 HH2 TRP A 8 -1.336 -3.367 4.781 1.00 0.30 H new ATOM 113 N LYS A 9 5.740 -5.513 -1.212 1.00 0.28 N ATOM 114 CA LYS A 9 6.746 -5.199 -2.215 1.00 0.34 C ATOM 115 C LYS A 9 5.992 -5.031 -3.522 1.00 0.38 C ATOM 116 O LYS A 9 5.159 -5.884 -3.820 1.00 0.45 O ATOM 117 CB LYS A 9 7.782 -6.326 -2.344 1.00 0.43 C ATOM 118 CG LYS A 9 7.173 -7.691 -2.709 1.00 0.73 C ATOM 119 CD LYS A 9 8.059 -8.856 -2.265 1.00 0.67 C ATOM 120 CE LYS A 9 9.355 -8.904 -3.081 1.00 1.25 C ATOM 121 NZ LYS A 9 10.163 -10.088 -2.735 1.00 1.67 N ATOM 0 H LYS A 9 5.497 -6.503 -1.185 1.00 0.28 H new ATOM 0 HA LYS A 9 7.297 -4.299 -1.941 1.00 0.34 H new ATOM 0 HB2 LYS A 9 8.513 -6.050 -3.104 1.00 0.43 H new ATOM 0 HB3 LYS A 9 8.322 -6.420 -1.402 1.00 0.43 H new ATOM 0 HG2 LYS A 9 6.192 -7.785 -2.244 1.00 0.73 H new ATOM 0 HG3 LYS A 9 7.021 -7.743 -3.787 1.00 0.73 H new ATOM 0 HD2 LYS A 9 8.296 -8.754 -1.206 1.00 0.67 H new ATOM 0 HD3 LYS A 9 7.517 -9.794 -2.382 1.00 0.67 H new ATOM 0 HE2 LYS A 9 9.117 -8.922 -4.145 1.00 1.25 H new ATOM 0 HE3 LYS A 9 9.935 -7.999 -2.899 1.00 1.25 H new ATOM 0 HZ1 LYS A 9 11.034 -10.092 -3.304 1.00 1.67 H new ATOM 0 HZ2 LYS A 9 10.409 -10.057 -1.725 1.00 1.67 H new ATOM 0 HZ3 LYS A 9 9.617 -10.951 -2.932 1.00 1.67 H new ATOM 135 N VAL A 10 6.229 -3.939 -4.251 1.00 0.50 N ATOM 136 CA VAL A 10 5.389 -3.497 -5.361 1.00 0.67 C ATOM 137 C VAL A 10 6.188 -3.194 -6.628 1.00 0.91 C ATOM 138 O VAL A 10 6.615 -2.064 -6.870 1.00 2.09 O ATOM 139 CB VAL A 10 4.479 -2.349 -4.905 1.00 0.79 C ATOM 140 CG1 VAL A 10 5.241 -1.130 -4.358 1.00 1.40 C ATOM 141 CG2 VAL A 10 3.499 -2.004 -6.035 1.00 1.57 C ATOM 0 H VAL A 10 7.027 -3.326 -4.081 1.00 0.50 H new ATOM 0 HA VAL A 10 4.741 -4.323 -5.654 1.00 0.67 H new ATOM 0 HB VAL A 10 3.906 -2.691 -4.043 1.00 0.79 H new ATOM 0 HG11 VAL A 10 4.529 -0.361 -4.056 1.00 1.40 H new ATOM 0 HG12 VAL A 10 5.837 -1.430 -3.497 1.00 1.40 H new ATOM 0 HG13 VAL A 10 5.897 -0.733 -5.133 1.00 1.40 H new ATOM 0 HG21 VAL A 10 2.849 -1.189 -5.717 1.00 1.57 H new ATOM 0 HG22 VAL A 10 4.057 -1.699 -6.920 1.00 1.57 H new ATOM 0 HG23 VAL A 10 2.894 -2.879 -6.271 1.00 1.57 H new ATOM 151 N SER A 11 6.341 -4.214 -7.475 1.00 0.65 N ATOM 152 CA SER A 11 7.180 -4.115 -8.660 1.00 0.69 C ATOM 153 C SER A 11 6.408 -3.386 -9.762 1.00 0.74 C ATOM 154 O SER A 11 5.793 -4.012 -10.622 1.00 1.23 O ATOM 155 CB SER A 11 7.702 -5.504 -9.062 1.00 1.06 C ATOM 156 OG SER A 11 8.985 -5.389 -9.644 1.00 2.10 O ATOM 0 H SER A 11 5.890 -5.121 -7.357 1.00 0.65 H new ATOM 0 HA SER A 11 8.071 -3.520 -8.459 1.00 0.69 H new ATOM 0 HB2 SER A 11 7.748 -6.152 -8.186 1.00 1.06 H new ATOM 0 HB3 SER A 11 7.014 -5.970 -9.768 1.00 1.06 H new ATOM 0 HG SER A 11 9.620 -5.061 -8.973 1.00 2.10 H new ATOM 162 N GLY A 12 6.396 -2.051 -9.698 1.00 0.67 N ATOM 163 CA GLY A 12 5.698 -1.219 -10.671 1.00 0.80 C ATOM 164 C GLY A 12 5.788 0.278 -10.361 1.00 0.89 C ATOM 165 O GLY A 12 5.841 1.094 -11.274 1.00 1.56 O ATOM 0 H GLY A 12 6.872 -1.521 -8.968 1.00 0.67 H new ATOM 0 HA2 GLY A 12 6.114 -1.404 -11.662 1.00 0.80 H new ATOM 0 HA3 GLY A 12 4.649 -1.514 -10.705 1.00 0.80 H new ATOM 169 N MET A 13 5.767 0.654 -9.080 1.00 0.66 N ATOM 170 CA MET A 13 5.760 2.051 -8.658 1.00 0.71 C ATOM 171 C MET A 13 7.052 2.795 -9.029 1.00 0.79 C ATOM 172 O MET A 13 8.137 2.393 -8.610 1.00 1.06 O ATOM 173 CB MET A 13 5.576 2.097 -7.142 1.00 0.70 C ATOM 174 CG MET A 13 4.128 2.356 -6.745 1.00 1.18 C ATOM 175 SD MET A 13 3.967 2.671 -4.976 1.00 1.71 S ATOM 176 CE MET A 13 2.802 1.358 -4.583 1.00 2.60 C ATOM 0 H MET A 13 5.754 -0.008 -8.304 1.00 0.66 H new ATOM 0 HA MET A 13 4.943 2.550 -9.178 1.00 0.71 H new ATOM 0 HB2 MET A 13 5.906 1.153 -6.709 1.00 0.70 H new ATOM 0 HB3 MET A 13 6.211 2.879 -6.724 1.00 0.70 H new ATOM 0 HG2 MET A 13 3.745 3.210 -7.303 1.00 1.18 H new ATOM 0 HG3 MET A 13 3.516 1.496 -7.019 1.00 1.18 H new ATOM 0 HE1 MET A 13 2.800 1.184 -3.507 1.00 2.60 H new ATOM 0 HE2 MET A 13 1.803 1.650 -4.906 1.00 2.60 H new ATOM 0 HE3 MET A 13 3.097 0.444 -5.098 1.00 2.60 H new ATOM 186 N ASP A 14 6.912 3.923 -9.738 1.00 0.61 N ATOM 187 CA ASP A 14 8.013 4.656 -10.358 1.00 0.62 C ATOM 188 C ASP A 14 7.965 6.182 -10.140 1.00 0.58 C ATOM 189 O ASP A 14 8.957 6.851 -10.424 1.00 0.68 O ATOM 190 CB ASP A 14 8.004 4.333 -11.859 1.00 0.72 C ATOM 191 CG ASP A 14 6.676 4.703 -12.513 1.00 0.75 C ATOM 192 OD1 ASP A 14 6.307 5.891 -12.428 1.00 1.41 O ATOM 193 OD2 ASP A 14 6.006 3.796 -13.046 1.00 1.17 O ATOM 0 H ASP A 14 6.004 4.359 -9.898 1.00 0.61 H new ATOM 0 HA ASP A 14 8.936 4.332 -9.877 1.00 0.62 H new ATOM 0 HB2 ASP A 14 8.814 4.872 -12.351 1.00 0.72 H new ATOM 0 HB3 ASP A 14 8.196 3.270 -12.003 1.00 0.72 H new ATOM 198 N CYS A 15 6.854 6.739 -9.633 1.00 0.50 N ATOM 199 CA CYS A 15 6.575 8.170 -9.671 1.00 0.57 C ATOM 200 C CYS A 15 6.042 8.629 -8.315 1.00 0.46 C ATOM 201 O CYS A 15 5.277 7.911 -7.671 1.00 0.40 O ATOM 202 CB CYS A 15 5.515 8.502 -10.739 1.00 0.68 C ATOM 203 SG CYS A 15 5.669 7.562 -12.279 1.00 0.82 S ATOM 0 H CYS A 15 6.119 6.195 -9.181 1.00 0.50 H new ATOM 0 HA CYS A 15 7.506 8.682 -9.914 1.00 0.57 H new ATOM 0 HB2 CYS A 15 4.526 8.322 -10.317 1.00 0.68 H new ATOM 0 HB3 CYS A 15 5.574 9.565 -10.971 1.00 0.68 H new ATOM 208 N ALA A 16 6.366 9.863 -7.927 1.00 0.47 N ATOM 209 CA ALA A 16 5.816 10.470 -6.723 1.00 0.43 C ATOM 210 C ALA A 16 4.292 10.573 -6.819 1.00 0.34 C ATOM 211 O ALA A 16 3.586 10.363 -5.836 1.00 0.33 O ATOM 212 CB ALA A 16 6.444 11.851 -6.510 1.00 0.55 C ATOM 0 H ALA A 16 7.013 10.464 -8.438 1.00 0.47 H new ATOM 0 HA ALA A 16 6.054 9.840 -5.866 1.00 0.43 H new ATOM 0 HB1 ALA A 16 6.031 12.303 -5.608 1.00 0.55 H new ATOM 0 HB2 ALA A 16 7.524 11.747 -6.402 1.00 0.55 H new ATOM 0 HB3 ALA A 16 6.225 12.487 -7.368 1.00 0.55 H new ATOM 218 N ALA A 17 3.774 10.902 -8.005 1.00 0.33 N ATOM 219 CA ALA A 17 2.337 10.975 -8.231 1.00 0.30 C ATOM 220 C ALA A 17 1.686 9.618 -7.962 1.00 0.26 C ATOM 221 O ALA A 17 0.715 9.549 -7.214 1.00 0.25 O ATOM 222 CB ALA A 17 2.049 11.469 -9.650 1.00 0.38 C ATOM 0 H ALA A 17 4.337 11.123 -8.826 1.00 0.33 H new ATOM 0 HA ALA A 17 1.902 11.692 -7.535 1.00 0.30 H new ATOM 0 HB1 ALA A 17 0.971 11.519 -9.806 1.00 0.38 H new ATOM 0 HB2 ALA A 17 2.482 12.460 -9.785 1.00 0.38 H new ATOM 0 HB3 ALA A 17 2.488 10.780 -10.371 1.00 0.38 H new ATOM 228 N CYS A 18 2.236 8.552 -8.555 1.00 0.32 N ATOM 229 CA CYS A 18 1.849 7.170 -8.304 1.00 0.31 C ATOM 230 C CYS A 18 1.851 6.928 -6.794 1.00 0.23 C ATOM 231 O CYS A 18 0.827 6.557 -6.232 1.00 0.26 O ATOM 232 CB CYS A 18 2.782 6.200 -9.061 1.00 0.40 C ATOM 233 SG CYS A 18 2.577 6.433 -10.857 1.00 0.72 S ATOM 0 H CYS A 18 2.985 8.636 -9.243 1.00 0.32 H new ATOM 0 HA CYS A 18 0.843 6.983 -8.679 1.00 0.31 H new ATOM 0 HB2 CYS A 18 3.819 6.380 -8.777 1.00 0.40 H new ATOM 0 HB3 CYS A 18 2.551 5.170 -8.789 1.00 0.40 H new ATOM 0 HG CYS A 18 3.733 6.679 -11.397 1.00 0.72 H new ATOM 238 N ALA A 19 2.980 7.196 -6.132 1.00 0.21 N ATOM 239 CA ALA A 19 3.105 7.048 -4.687 1.00 0.23 C ATOM 240 C ALA A 19 1.946 7.719 -3.949 1.00 0.24 C ATOM 241 O ALA A 19 1.296 7.098 -3.111 1.00 0.32 O ATOM 242 CB ALA A 19 4.441 7.625 -4.216 1.00 0.29 C ATOM 0 H ALA A 19 3.832 7.522 -6.588 1.00 0.21 H new ATOM 0 HA ALA A 19 3.071 5.984 -4.454 1.00 0.23 H new ATOM 0 HB1 ALA A 19 4.526 7.510 -3.135 1.00 0.29 H new ATOM 0 HB2 ALA A 19 5.259 7.094 -4.703 1.00 0.29 H new ATOM 0 HB3 ALA A 19 4.492 8.683 -4.474 1.00 0.29 H new ATOM 248 N ARG A 20 1.681 8.991 -4.262 1.00 0.23 N ATOM 249 CA ARG A 20 0.634 9.730 -3.576 1.00 0.28 C ATOM 250 C ARG A 20 -0.734 9.106 -3.853 1.00 0.29 C ATOM 251 O ARG A 20 -1.556 8.931 -2.957 1.00 0.37 O ATOM 252 CB ARG A 20 0.626 11.217 -3.948 1.00 0.32 C ATOM 253 CG ARG A 20 0.600 12.054 -2.665 1.00 0.62 C ATOM 254 CD ARG A 20 0.114 13.481 -2.924 1.00 0.61 C ATOM 255 NE ARG A 20 0.291 14.310 -1.721 1.00 1.50 N ATOM 256 CZ ARG A 20 1.398 15.005 -1.411 1.00 2.73 C ATOM 257 NH1 ARG A 20 2.459 14.972 -2.225 1.00 3.88 N ATOM 258 NH2 ARG A 20 1.438 15.734 -0.290 1.00 3.56 N ATOM 0 H ARG A 20 2.176 9.520 -4.980 1.00 0.23 H new ATOM 0 HA ARG A 20 0.848 9.666 -2.509 1.00 0.28 H new ATOM 0 HB2 ARG A 20 1.509 11.462 -4.539 1.00 0.32 H new ATOM 0 HB3 ARG A 20 -0.244 11.446 -4.564 1.00 0.32 H new ATOM 0 HG2 ARG A 20 -0.051 11.576 -1.933 1.00 0.62 H new ATOM 0 HG3 ARG A 20 1.599 12.084 -2.231 1.00 0.62 H new ATOM 0 HD2 ARG A 20 0.667 13.915 -3.757 1.00 0.61 H new ATOM 0 HD3 ARG A 20 -0.937 13.467 -3.212 1.00 0.61 H new ATOM 0 HE ARG A 20 -0.492 14.361 -1.069 1.00 1.50 H new ATOM 0 HH11 ARG A 20 2.428 14.419 -3.081 1.00 3.88 H new ATOM 0 HH12 ARG A 20 3.299 15.500 -1.989 1.00 3.88 H new ATOM 0 HH21 ARG A 20 0.628 15.762 0.329 1.00 3.56 H new ATOM 0 HH22 ARG A 20 2.279 16.262 -0.055 1.00 3.56 H new ATOM 272 N LYS A 21 -0.998 8.793 -5.121 1.00 0.25 N ATOM 273 CA LYS A 21 -2.276 8.228 -5.514 1.00 0.33 C ATOM 274 C LYS A 21 -2.492 6.900 -4.793 1.00 0.29 C ATOM 275 O LYS A 21 -3.593 6.633 -4.323 1.00 0.35 O ATOM 276 CB LYS A 21 -2.377 8.088 -7.041 1.00 0.43 C ATOM 277 CG LYS A 21 -3.669 8.741 -7.544 1.00 0.81 C ATOM 278 CD LYS A 21 -3.793 8.580 -9.064 1.00 1.28 C ATOM 279 CE LYS A 21 -4.978 9.389 -9.620 1.00 1.71 C ATOM 280 NZ LYS A 21 -4.559 10.696 -10.168 1.00 3.09 N ATOM 0 H LYS A 21 -0.340 8.923 -5.889 1.00 0.25 H new ATOM 0 HA LYS A 21 -3.075 8.907 -5.217 1.00 0.33 H new ATOM 0 HB2 LYS A 21 -1.515 8.557 -7.515 1.00 0.43 H new ATOM 0 HB3 LYS A 21 -2.360 7.034 -7.320 1.00 0.43 H new ATOM 0 HG2 LYS A 21 -4.529 8.286 -7.052 1.00 0.81 H new ATOM 0 HG3 LYS A 21 -3.675 9.799 -7.282 1.00 0.81 H new ATOM 0 HD2 LYS A 21 -2.870 8.908 -9.543 1.00 1.28 H new ATOM 0 HD3 LYS A 21 -3.923 7.526 -9.310 1.00 1.28 H new ATOM 0 HE2 LYS A 21 -5.474 8.812 -10.401 1.00 1.71 H new ATOM 0 HE3 LYS A 21 -5.710 9.548 -8.828 1.00 1.71 H new ATOM 0 HZ1 LYS A 21 -5.391 11.204 -10.530 1.00 3.09 H new ATOM 0 HZ2 LYS A 21 -4.110 11.259 -9.418 1.00 3.09 H new ATOM 0 HZ3 LYS A 21 -3.881 10.547 -10.942 1.00 3.09 H new ATOM 294 N VAL A 22 -1.438 6.091 -4.674 1.00 0.24 N ATOM 295 CA VAL A 22 -1.465 4.849 -3.932 1.00 0.26 C ATOM 296 C VAL A 22 -1.780 5.162 -2.472 1.00 0.26 C ATOM 297 O VAL A 22 -2.733 4.604 -1.928 1.00 0.34 O ATOM 298 CB VAL A 22 -0.118 4.127 -4.090 1.00 0.28 C ATOM 299 CG1 VAL A 22 -0.026 2.889 -3.191 1.00 0.32 C ATOM 300 CG2 VAL A 22 0.123 3.702 -5.546 1.00 0.40 C ATOM 0 H VAL A 22 -0.533 6.291 -5.100 1.00 0.24 H new ATOM 0 HA VAL A 22 -2.238 4.183 -4.315 1.00 0.26 H new ATOM 0 HB VAL A 22 0.649 4.841 -3.789 1.00 0.28 H new ATOM 0 HG11 VAL A 22 0.942 2.407 -3.333 1.00 0.32 H new ATOM 0 HG12 VAL A 22 -0.133 3.188 -2.148 1.00 0.32 H new ATOM 0 HG13 VAL A 22 -0.821 2.190 -3.452 1.00 0.32 H new ATOM 0 HG21 VAL A 22 1.084 3.194 -5.622 1.00 0.40 H new ATOM 0 HG22 VAL A 22 -0.671 3.026 -5.864 1.00 0.40 H new ATOM 0 HG23 VAL A 22 0.127 4.584 -6.187 1.00 0.40 H new ATOM 310 N GLU A 23 -0.992 6.027 -1.819 1.00 0.19 N ATOM 311 CA GLU A 23 -1.159 6.218 -0.386 1.00 0.21 C ATOM 312 C GLU A 23 -2.577 6.706 -0.090 1.00 0.26 C ATOM 313 O GLU A 23 -3.220 6.224 0.834 1.00 0.26 O ATOM 314 CB GLU A 23 -0.049 7.056 0.265 1.00 0.35 C ATOM 315 CG GLU A 23 -0.140 8.553 -0.017 1.00 0.47 C ATOM 316 CD GLU A 23 1.042 9.340 0.539 1.00 0.86 C ATOM 317 OE1 GLU A 23 1.849 8.725 1.269 1.00 2.36 O ATOM 318 OE2 GLU A 23 1.107 10.550 0.226 1.00 1.40 O ATOM 0 H GLU A 23 -0.256 6.587 -2.250 1.00 0.19 H new ATOM 0 HA GLU A 23 -1.040 5.249 0.099 1.00 0.21 H new ATOM 0 HB2 GLU A 23 -0.078 6.900 1.343 1.00 0.35 H new ATOM 0 HB3 GLU A 23 0.917 6.691 -0.084 1.00 0.35 H new ATOM 0 HG2 GLU A 23 -0.199 8.711 -1.094 1.00 0.47 H new ATOM 0 HG3 GLU A 23 -1.063 8.942 0.414 1.00 0.47 H new ATOM 325 N ASN A 24 -3.106 7.598 -0.927 1.00 0.34 N ATOM 326 CA ASN A 24 -4.505 8.007 -0.889 1.00 0.39 C ATOM 327 C ASN A 24 -5.448 6.813 -1.089 1.00 0.39 C ATOM 328 O ASN A 24 -6.364 6.595 -0.292 1.00 0.44 O ATOM 329 CB ASN A 24 -4.758 9.082 -1.956 1.00 0.44 C ATOM 330 CG ASN A 24 -4.608 10.491 -1.389 1.00 1.37 C ATOM 331 OD1 ASN A 24 -3.504 10.987 -1.195 1.00 3.08 O ATOM 332 ND2 ASN A 24 -5.724 11.161 -1.113 1.00 1.53 N ATOM 0 H ASN A 24 -2.566 8.061 -1.658 1.00 0.34 H new ATOM 0 HA ASN A 24 -4.714 8.422 0.097 1.00 0.39 H new ATOM 0 HB2 ASN A 24 -4.059 8.946 -2.781 1.00 0.44 H new ATOM 0 HB3 ASN A 24 -5.761 8.960 -2.364 1.00 0.44 H new ATOM 0 HD21 ASN A 24 -5.671 12.106 -0.732 1.00 1.53 H new ATOM 0 HD22 ASN A 24 -6.633 10.730 -1.282 1.00 1.53 H new ATOM 339 N ALA A 25 -5.242 6.057 -2.172 1.00 0.38 N ATOM 340 CA ALA A 25 -6.075 4.929 -2.577 1.00 0.44 C ATOM 341 C ALA A 25 -6.178 3.864 -1.487 1.00 0.33 C ATOM 342 O ALA A 25 -7.196 3.183 -1.395 1.00 0.36 O ATOM 343 CB ALA A 25 -5.547 4.314 -3.875 1.00 0.54 C ATOM 0 H ALA A 25 -4.463 6.222 -2.810 1.00 0.38 H new ATOM 0 HA ALA A 25 -7.080 5.316 -2.746 1.00 0.44 H new ATOM 0 HB1 ALA A 25 -6.179 3.474 -4.163 1.00 0.54 H new ATOM 0 HB2 ALA A 25 -5.559 5.065 -4.665 1.00 0.54 H new ATOM 0 HB3 ALA A 25 -4.526 3.964 -3.723 1.00 0.54 H new ATOM 349 N VAL A 26 -5.138 3.712 -0.667 1.00 0.27 N ATOM 350 CA VAL A 26 -5.180 2.818 0.480 1.00 0.23 C ATOM 351 C VAL A 26 -5.738 3.563 1.702 1.00 0.21 C ATOM 352 O VAL A 26 -6.597 3.036 2.404 1.00 0.24 O ATOM 353 CB VAL A 26 -3.816 2.131 0.681 1.00 0.35 C ATOM 354 CG1 VAL A 26 -3.340 1.525 -0.630 1.00 1.95 C ATOM 355 CG2 VAL A 26 -2.728 3.029 1.254 1.00 1.56 C ATOM 0 H VAL A 26 -4.251 4.203 -0.781 1.00 0.27 H new ATOM 0 HA VAL A 26 -5.874 1.995 0.307 1.00 0.23 H new ATOM 0 HB VAL A 26 -3.988 1.357 1.429 1.00 0.35 H new ATOM 0 HG11 VAL A 26 -2.375 1.042 -0.478 1.00 1.95 H new ATOM 0 HG12 VAL A 26 -4.065 0.788 -0.974 1.00 1.95 H new ATOM 0 HG13 VAL A 26 -3.238 2.311 -1.378 1.00 1.95 H new ATOM 0 HG21 VAL A 26 -1.805 2.459 1.360 1.00 1.56 H new ATOM 0 HG22 VAL A 26 -2.560 3.871 0.582 1.00 1.56 H new ATOM 0 HG23 VAL A 26 -3.040 3.400 2.230 1.00 1.56 H new ATOM 365 N ARG A 27 -5.311 4.806 1.947 1.00 0.22 N ATOM 366 CA ARG A 27 -5.739 5.587 3.107 1.00 0.25 C ATOM 367 C ARG A 27 -7.264 5.670 3.213 1.00 0.30 C ATOM 368 O ARG A 27 -7.814 5.625 4.310 1.00 0.34 O ATOM 369 CB ARG A 27 -5.113 6.985 3.059 1.00 0.25 C ATOM 370 CG ARG A 27 -5.407 7.787 4.328 1.00 0.31 C ATOM 371 CD ARG A 27 -4.481 9.005 4.396 1.00 0.41 C ATOM 372 NE ARG A 27 -4.612 9.695 5.687 1.00 0.67 N ATOM 373 CZ ARG A 27 -3.682 10.498 6.230 1.00 1.51 C ATOM 374 NH1 ARG A 27 -2.579 10.809 5.539 1.00 2.25 N ATOM 375 NH2 ARG A 27 -3.863 10.988 7.462 1.00 1.82 N ATOM 0 H ARG A 27 -4.655 5.299 1.341 1.00 0.22 H new ATOM 0 HA ARG A 27 -5.389 5.074 4.003 1.00 0.25 H new ATOM 0 HB2 ARG A 27 -4.035 6.895 2.928 1.00 0.25 H new ATOM 0 HB3 ARG A 27 -5.495 7.524 2.192 1.00 0.25 H new ATOM 0 HG2 ARG A 27 -6.448 8.109 4.333 1.00 0.31 H new ATOM 0 HG3 ARG A 27 -5.263 7.160 5.208 1.00 0.31 H new ATOM 0 HD2 ARG A 27 -3.448 8.689 4.252 1.00 0.41 H new ATOM 0 HD3 ARG A 27 -4.720 9.694 3.586 1.00 0.41 H new ATOM 0 HE ARG A 27 -5.476 9.553 6.211 1.00 0.67 H new ATOM 0 HH11 ARG A 27 -2.444 10.436 4.599 1.00 2.25 H new ATOM 0 HH12 ARG A 27 -1.873 11.419 5.952 1.00 2.25 H new ATOM 0 HH21 ARG A 27 -4.705 10.752 7.986 1.00 1.82 H new ATOM 0 HH22 ARG A 27 -3.159 11.598 7.877 1.00 1.82 H new ATOM 389 N GLN A 28 -7.942 5.788 2.070 1.00 0.32 N ATOM 390 CA GLN A 28 -9.395 5.885 2.007 1.00 0.39 C ATOM 391 C GLN A 28 -10.127 4.694 2.643 1.00 0.38 C ATOM 392 O GLN A 28 -11.320 4.815 2.902 1.00 0.44 O ATOM 393 CB GLN A 28 -9.873 6.156 0.574 1.00 0.48 C ATOM 394 CG GLN A 28 -9.485 5.001 -0.343 1.00 0.49 C ATOM 395 CD GLN A 28 -9.958 5.195 -1.780 1.00 0.65 C ATOM 396 OE1 GLN A 28 -10.716 4.389 -2.310 1.00 0.85 O ATOM 397 NE2 GLN A 28 -9.518 6.269 -2.430 1.00 0.78 N ATOM 0 H GLN A 28 -7.491 5.819 1.156 1.00 0.32 H new ATOM 0 HA GLN A 28 -9.664 6.744 2.622 1.00 0.39 H new ATOM 0 HB2 GLN A 28 -10.955 6.289 0.564 1.00 0.48 H new ATOM 0 HB3 GLN A 28 -9.434 7.084 0.207 1.00 0.48 H new ATOM 0 HG2 GLN A 28 -8.401 4.887 -0.336 1.00 0.49 H new ATOM 0 HG3 GLN A 28 -9.906 4.075 0.050 1.00 0.49 H new ATOM 0 HE21 GLN A 28 -8.888 6.924 -1.966 1.00 0.78 H new ATOM 0 HE22 GLN A 28 -9.810 6.438 -3.392 1.00 0.78 H new ATOM 406 N LEU A 29 -9.466 3.545 2.842 1.00 0.32 N ATOM 407 CA LEU A 29 -10.140 2.329 3.283 1.00 0.35 C ATOM 408 C LEU A 29 -10.861 2.509 4.627 1.00 0.35 C ATOM 409 O LEU A 29 -12.088 2.544 4.646 1.00 0.40 O ATOM 410 CB LEU A 29 -9.148 1.161 3.321 1.00 0.34 C ATOM 411 CG LEU A 29 -8.629 0.796 1.924 1.00 0.37 C ATOM 412 CD1 LEU A 29 -7.426 -0.138 2.071 1.00 0.39 C ATOM 413 CD2 LEU A 29 -9.712 0.158 1.051 1.00 0.44 C ATOM 0 H LEU A 29 -8.461 3.439 2.702 1.00 0.32 H new ATOM 0 HA LEU A 29 -10.919 2.099 2.556 1.00 0.35 H new ATOM 0 HB2 LEU A 29 -8.306 1.422 3.963 1.00 0.34 H new ATOM 0 HB3 LEU A 29 -9.631 0.291 3.766 1.00 0.34 H new ATOM 0 HG LEU A 29 -8.327 1.713 1.417 1.00 0.37 H new ATOM 0 HD11 LEU A 29 -7.049 -0.404 1.083 1.00 0.39 H new ATOM 0 HD12 LEU A 29 -6.641 0.366 2.636 1.00 0.39 H new ATOM 0 HD13 LEU A 29 -7.730 -1.042 2.599 1.00 0.39 H new ATOM 0 HD21 LEU A 29 -9.296 -0.082 0.073 1.00 0.44 H new ATOM 0 HD22 LEU A 29 -10.072 -0.755 1.526 1.00 0.44 H new ATOM 0 HD23 LEU A 29 -10.541 0.856 0.931 1.00 0.44 H new ATOM 425 N ALA A 30 -10.105 2.558 5.733 1.00 0.33 N ATOM 426 CA ALA A 30 -10.575 2.652 7.119 1.00 0.36 C ATOM 427 C ALA A 30 -9.483 2.221 8.109 1.00 0.35 C ATOM 428 O ALA A 30 -8.926 3.053 8.815 1.00 0.35 O ATOM 429 CB ALA A 30 -11.805 1.771 7.325 1.00 0.38 C ATOM 0 H ALA A 30 -9.087 2.531 5.678 1.00 0.33 H new ATOM 0 HA ALA A 30 -10.831 3.695 7.306 1.00 0.36 H new ATOM 0 HB1 ALA A 30 -12.141 1.852 8.359 1.00 0.38 H new ATOM 0 HB2 ALA A 30 -12.602 2.097 6.657 1.00 0.38 H new ATOM 0 HB3 ALA A 30 -11.550 0.734 7.106 1.00 0.38 H new ATOM 435 N GLY A 31 -9.204 0.911 8.169 1.00 0.37 N ATOM 436 CA GLY A 31 -8.249 0.257 9.073 1.00 0.37 C ATOM 437 C GLY A 31 -6.932 1.016 9.240 1.00 0.36 C ATOM 438 O GLY A 31 -6.329 1.022 10.314 1.00 0.44 O ATOM 0 H GLY A 31 -9.665 0.242 7.553 1.00 0.37 H new ATOM 0 HA2 GLY A 31 -8.714 0.137 10.051 1.00 0.37 H new ATOM 0 HA3 GLY A 31 -8.035 -0.743 8.697 1.00 0.37 H new ATOM 442 N VAL A 32 -6.450 1.564 8.123 1.00 0.32 N ATOM 443 CA VAL A 32 -5.167 2.207 7.980 1.00 0.27 C ATOM 444 C VAL A 32 -5.118 3.527 8.745 1.00 0.30 C ATOM 445 O VAL A 32 -5.929 4.421 8.515 1.00 0.37 O ATOM 446 CB VAL A 32 -4.809 2.322 6.497 1.00 0.30 C ATOM 447 CG1 VAL A 32 -5.994 2.650 5.603 1.00 0.43 C ATOM 448 CG2 VAL A 32 -3.707 3.336 6.238 1.00 0.32 C ATOM 0 H VAL A 32 -6.983 1.565 7.253 1.00 0.32 H new ATOM 0 HA VAL A 32 -4.392 1.593 8.439 1.00 0.27 H new ATOM 0 HB VAL A 32 -4.453 1.325 6.237 1.00 0.30 H new ATOM 0 HG11 VAL A 32 -5.661 2.715 4.567 1.00 0.43 H new ATOM 0 HG12 VAL A 32 -6.746 1.866 5.694 1.00 0.43 H new ATOM 0 HG13 VAL A 32 -6.425 3.604 5.906 1.00 0.43 H new ATOM 0 HG21 VAL A 32 -3.493 3.376 5.170 1.00 0.32 H new ATOM 0 HG22 VAL A 32 -4.029 4.319 6.581 1.00 0.32 H new ATOM 0 HG23 VAL A 32 -2.807 3.041 6.777 1.00 0.32 H new ATOM 458 N ASN A 33 -4.124 3.648 9.625 1.00 0.27 N ATOM 459 CA ASN A 33 -3.879 4.830 10.431 1.00 0.33 C ATOM 460 C ASN A 33 -2.795 5.659 9.755 1.00 0.31 C ATOM 461 O ASN A 33 -3.008 6.837 9.473 1.00 0.41 O ATOM 462 CB ASN A 33 -3.418 4.413 11.831 1.00 0.39 C ATOM 463 CG ASN A 33 -4.540 3.759 12.628 1.00 0.63 C ATOM 464 OD1 ASN A 33 -4.342 2.516 13.053 1.00 0.93 O flip ATOM 465 ND2 ASN A 33 -5.570 4.373 12.879 1.00 0.83 N flip ATOM 0 H ASN A 33 -3.451 2.901 9.797 1.00 0.27 H new ATOM 0 HA ASN A 33 -4.793 5.417 10.523 1.00 0.33 H new ATOM 0 HB2 ASN A 33 -2.581 3.720 11.746 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -3.053 5.288 12.369 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -5.691 5.327 12.538 1.00 0.83 H new ATOM 0 HD22 ASN A 33 -6.306 3.931 13.429 1.00 0.83 H new ATOM 472 N GLN A 34 -1.640 5.038 9.489 1.00 0.24 N ATOM 473 CA GLN A 34 -0.534 5.673 8.786 1.00 0.26 C ATOM 474 C GLN A 34 -0.249 4.877 7.515 1.00 0.27 C ATOM 475 O GLN A 34 -0.283 3.645 7.519 1.00 0.47 O ATOM 476 CB GLN A 34 0.704 5.772 9.692 1.00 0.36 C ATOM 477 CG GLN A 34 1.798 6.689 9.135 1.00 0.37 C ATOM 478 CD GLN A 34 1.387 8.154 9.209 1.00 0.49 C ATOM 479 OE1 GLN A 34 0.851 8.706 8.252 1.00 1.36 O ATOM 480 NE2 GLN A 34 1.612 8.790 10.356 1.00 1.70 N ATOM 0 H GLN A 34 -1.451 4.073 9.760 1.00 0.24 H new ATOM 0 HA GLN A 34 -0.800 6.694 8.512 1.00 0.26 H new ATOM 0 HB2 GLN A 34 0.399 6.138 10.672 1.00 0.36 H new ATOM 0 HB3 GLN A 34 1.117 4.774 9.839 1.00 0.36 H new ATOM 0 HG2 GLN A 34 2.720 6.540 9.696 1.00 0.37 H new ATOM 0 HG3 GLN A 34 2.008 6.420 8.100 1.00 0.37 H new ATOM 0 HE21 GLN A 34 2.060 8.301 11.131 1.00 1.70 H new ATOM 0 HE22 GLN A 34 1.337 9.767 10.460 1.00 1.70 H new ATOM 489 N VAL A 35 0.014 5.603 6.429 1.00 0.25 N ATOM 490 CA VAL A 35 0.413 5.077 5.147 1.00 0.30 C ATOM 491 C VAL A 35 1.882 5.417 4.940 1.00 0.25 C ATOM 492 O VAL A 35 2.312 6.509 5.307 1.00 0.37 O ATOM 493 CB VAL A 35 -0.447 5.722 4.053 1.00 0.57 C ATOM 494 CG1 VAL A 35 -1.824 5.071 4.032 1.00 1.56 C ATOM 495 CG2 VAL A 35 -0.622 7.246 4.167 1.00 2.34 C ATOM 0 H VAL A 35 -0.052 6.621 6.431 1.00 0.25 H new ATOM 0 HA VAL A 35 0.276 3.996 5.104 1.00 0.30 H new ATOM 0 HB VAL A 35 0.101 5.551 3.126 1.00 0.57 H new ATOM 0 HG11 VAL A 35 -2.432 5.532 3.254 1.00 1.56 H new ATOM 0 HG12 VAL A 35 -1.720 4.005 3.828 1.00 1.56 H new ATOM 0 HG13 VAL A 35 -2.307 5.210 4.999 1.00 1.56 H new ATOM 0 HG21 VAL A 35 -1.245 7.603 3.347 1.00 2.34 H new ATOM 0 HG22 VAL A 35 -1.099 7.487 5.117 1.00 2.34 H new ATOM 0 HG23 VAL A 35 0.354 7.729 4.118 1.00 2.34 H new ATOM 505 N GLN A 36 2.649 4.495 4.358 1.00 0.24 N ATOM 506 CA GLN A 36 4.033 4.741 4.014 1.00 0.28 C ATOM 507 C GLN A 36 4.363 3.991 2.721 1.00 0.26 C ATOM 508 O GLN A 36 4.923 2.895 2.745 1.00 0.30 O ATOM 509 CB GLN A 36 4.917 4.346 5.201 1.00 0.33 C ATOM 510 CG GLN A 36 6.350 4.864 5.028 1.00 0.38 C ATOM 511 CD GLN A 36 7.237 4.416 6.179 1.00 0.68 C ATOM 512 OE1 GLN A 36 7.742 5.225 6.948 1.00 1.87 O ATOM 513 NE2 GLN A 36 7.442 3.111 6.301 1.00 0.57 N ATOM 0 H GLN A 36 2.321 3.560 4.116 1.00 0.24 H new ATOM 0 HA GLN A 36 4.221 5.797 3.821 1.00 0.28 H new ATOM 0 HB2 GLN A 36 4.493 4.746 6.122 1.00 0.33 H new ATOM 0 HB3 GLN A 36 4.930 3.261 5.301 1.00 0.33 H new ATOM 0 HG2 GLN A 36 6.760 4.500 4.086 1.00 0.38 H new ATOM 0 HG3 GLN A 36 6.342 5.953 4.973 1.00 0.38 H new ATOM 0 HE21 GLN A 36 7.007 2.463 5.644 1.00 0.57 H new ATOM 0 HE22 GLN A 36 8.035 2.756 7.051 1.00 0.57 H new ATOM 522 N VAL A 37 4.032 4.612 1.588 1.00 0.27 N ATOM 523 CA VAL A 37 4.304 4.132 0.248 1.00 0.28 C ATOM 524 C VAL A 37 5.633 4.730 -0.212 1.00 0.32 C ATOM 525 O VAL A 37 5.680 5.877 -0.653 1.00 0.51 O ATOM 526 CB VAL A 37 3.163 4.589 -0.676 1.00 0.42 C ATOM 527 CG1 VAL A 37 3.431 4.131 -2.111 1.00 2.33 C ATOM 528 CG2 VAL A 37 1.820 4.013 -0.221 1.00 2.06 C ATOM 0 H VAL A 37 3.543 5.507 1.589 1.00 0.27 H new ATOM 0 HA VAL A 37 4.368 3.044 0.224 1.00 0.28 H new ATOM 0 HB VAL A 37 3.119 5.677 -0.632 1.00 0.42 H new ATOM 0 HG11 VAL A 37 2.616 4.460 -2.756 1.00 2.33 H new ATOM 0 HG12 VAL A 37 4.369 4.562 -2.462 1.00 2.33 H new ATOM 0 HG13 VAL A 37 3.499 3.043 -2.139 1.00 2.33 H new ATOM 0 HG21 VAL A 37 1.032 4.353 -0.893 1.00 2.06 H new ATOM 0 HG22 VAL A 37 1.867 2.924 -0.238 1.00 2.06 H new ATOM 0 HG23 VAL A 37 1.604 4.351 0.792 1.00 2.06 H new ATOM 538 N LEU A 38 6.717 3.952 -0.136 1.00 0.29 N ATOM 539 CA LEU A 38 8.011 4.369 -0.625 1.00 0.36 C ATOM 540 C LEU A 38 8.197 3.747 -2.010 1.00 0.32 C ATOM 541 O LEU A 38 8.777 2.670 -2.178 1.00 0.31 O ATOM 542 CB LEU A 38 9.094 3.995 0.388 1.00 0.43 C ATOM 543 CG LEU A 38 10.455 4.567 -0.028 1.00 0.55 C ATOM 544 CD1 LEU A 38 10.516 6.100 0.041 1.00 0.69 C ATOM 545 CD2 LEU A 38 11.539 3.995 0.892 1.00 0.64 C ATOM 0 H LEU A 38 6.710 3.016 0.269 1.00 0.29 H new ATOM 0 HA LEU A 38 8.087 5.451 -0.735 1.00 0.36 H new ATOM 0 HB2 LEU A 38 8.822 4.374 1.373 1.00 0.43 H new ATOM 0 HB3 LEU A 38 9.161 2.910 0.471 1.00 0.43 H new ATOM 0 HG LEU A 38 10.614 4.281 -1.068 1.00 0.55 H new ATOM 0 HD11 LEU A 38 11.505 6.439 -0.266 1.00 0.69 H new ATOM 0 HD12 LEU A 38 9.764 6.524 -0.625 1.00 0.69 H new ATOM 0 HD13 LEU A 38 10.321 6.426 1.063 1.00 0.69 H new ATOM 0 HD21 LEU A 38 12.510 4.397 0.603 1.00 0.64 H new ATOM 0 HD22 LEU A 38 11.324 4.272 1.924 1.00 0.64 H new ATOM 0 HD23 LEU A 38 11.555 2.909 0.804 1.00 0.64 H new ATOM 557 N PHE A 39 7.657 4.457 -3.001 1.00 0.34 N ATOM 558 CA PHE A 39 7.829 4.152 -4.411 1.00 0.37 C ATOM 559 C PHE A 39 9.314 4.151 -4.782 1.00 0.40 C ATOM 560 O PHE A 39 10.140 4.649 -4.018 1.00 0.43 O ATOM 561 CB PHE A 39 7.054 5.186 -5.233 1.00 0.44 C ATOM 562 CG PHE A 39 7.785 6.488 -5.491 1.00 0.34 C ATOM 563 CD1 PHE A 39 7.831 7.508 -4.523 1.00 1.66 C ATOM 564 CD2 PHE A 39 8.431 6.668 -6.727 1.00 1.94 C ATOM 565 CE1 PHE A 39 8.404 8.751 -4.847 1.00 1.63 C ATOM 566 CE2 PHE A 39 9.001 7.906 -7.052 1.00 2.03 C ATOM 567 CZ PHE A 39 8.942 8.961 -6.129 1.00 0.62 C ATOM 0 H PHE A 39 7.075 5.278 -2.836 1.00 0.34 H new ATOM 0 HA PHE A 39 7.440 3.157 -4.626 1.00 0.37 H new ATOM 0 HB2 PHE A 39 6.791 4.740 -6.192 1.00 0.44 H new ATOM 0 HB3 PHE A 39 6.120 5.409 -4.718 1.00 0.44 H new ATOM 0 HD1 PHE A 39 7.428 7.337 -3.536 1.00 1.66 H new ATOM 0 HD2 PHE A 39 8.488 5.849 -7.428 1.00 1.94 H new ATOM 0 HE1 PHE A 39 8.431 9.542 -4.113 1.00 1.63 H new ATOM 0 HE2 PHE A 39 9.483 8.047 -8.008 1.00 2.03 H new ATOM 0 HZ PHE A 39 9.311 9.938 -6.404 1.00 0.62 H new ATOM 577 N ALA A 40 9.653 3.587 -5.947 1.00 0.44 N ATOM 578 CA ALA A 40 11.017 3.449 -6.455 1.00 0.45 C ATOM 579 C ALA A 40 11.788 2.389 -5.664 1.00 0.38 C ATOM 580 O ALA A 40 12.283 1.425 -6.237 1.00 0.54 O ATOM 581 CB ALA A 40 11.752 4.798 -6.513 1.00 0.54 C ATOM 0 H ALA A 40 8.956 3.200 -6.584 1.00 0.44 H new ATOM 0 HA ALA A 40 10.956 3.100 -7.486 1.00 0.45 H new ATOM 0 HB1 ALA A 40 12.761 4.646 -6.896 1.00 0.54 H new ATOM 0 HB2 ALA A 40 11.212 5.478 -7.171 1.00 0.54 H new ATOM 0 HB3 ALA A 40 11.805 5.227 -5.512 1.00 0.54 H new ATOM 587 N THR A 41 11.820 2.518 -4.336 1.00 0.36 N ATOM 588 CA THR A 41 12.304 1.502 -3.413 1.00 0.39 C ATOM 589 C THR A 41 11.394 0.260 -3.380 1.00 0.35 C ATOM 590 O THR A 41 11.711 -0.703 -2.686 1.00 0.74 O ATOM 591 CB THR A 41 12.433 2.144 -2.024 1.00 0.62 C ATOM 592 OG1 THR A 41 12.909 3.470 -2.161 1.00 1.09 O ATOM 593 CG2 THR A 41 13.393 1.390 -1.099 1.00 0.89 C ATOM 0 H THR A 41 11.498 3.362 -3.863 1.00 0.36 H new ATOM 0 HA THR A 41 13.276 1.143 -3.751 1.00 0.39 H new ATOM 0 HB THR A 41 11.440 2.114 -1.575 1.00 0.62 H new ATOM 0 HG1 THR A 41 13.289 3.771 -1.309 1.00 1.09 H new ATOM 0 HG21 THR A 41 13.440 1.894 -0.134 1.00 0.89 H new ATOM 0 HG22 THR A 41 13.037 0.370 -0.958 1.00 0.89 H new ATOM 0 HG23 THR A 41 14.387 1.369 -1.546 1.00 0.89 H new ATOM 601 N GLU A 42 10.277 0.266 -4.119 1.00 0.40 N ATOM 602 CA GLU A 42 9.464 -0.914 -4.390 1.00 0.42 C ATOM 603 C GLU A 42 8.736 -1.407 -3.137 1.00 0.34 C ATOM 604 O GLU A 42 8.451 -2.599 -3.050 1.00 0.47 O ATOM 605 CB GLU A 42 10.343 -2.022 -5.024 1.00 0.76 C ATOM 606 CG GLU A 42 9.543 -3.001 -5.898 1.00 1.22 C ATOM 607 CD GLU A 42 10.328 -4.245 -6.304 1.00 2.41 C ATOM 608 OE1 GLU A 42 10.884 -4.898 -5.396 1.00 3.49 O ATOM 609 OE2 GLU A 42 10.313 -4.553 -7.517 1.00 3.24 O ATOM 0 H GLU A 42 9.910 1.113 -4.552 1.00 0.40 H new ATOM 0 HA GLU A 42 8.686 -0.641 -5.103 1.00 0.42 H new ATOM 0 HB2 GLU A 42 11.122 -1.558 -5.629 1.00 0.76 H new ATOM 0 HB3 GLU A 42 10.844 -2.578 -4.231 1.00 0.76 H new ATOM 0 HG2 GLU A 42 8.648 -3.308 -5.358 1.00 1.22 H new ATOM 0 HG3 GLU A 42 9.211 -2.483 -6.797 1.00 1.22 H new ATOM 616 N LYS A 43 8.374 -0.542 -2.175 1.00 0.24 N ATOM 617 CA LYS A 43 7.715 -1.038 -0.973 1.00 0.27 C ATOM 618 C LYS A 43 6.749 -0.031 -0.378 1.00 0.27 C ATOM 619 O LYS A 43 7.019 1.166 -0.290 1.00 0.42 O ATOM 620 CB LYS A 43 8.759 -1.574 0.024 1.00 0.39 C ATOM 621 CG LYS A 43 8.317 -1.706 1.483 1.00 1.29 C ATOM 622 CD LYS A 43 8.322 -0.345 2.203 1.00 0.70 C ATOM 623 CE LYS A 43 9.110 -0.401 3.516 1.00 1.20 C ATOM 624 NZ LYS A 43 10.567 -0.447 3.275 1.00 2.35 N ATOM 0 H LYS A 43 8.523 0.467 -2.208 1.00 0.24 H new ATOM 0 HA LYS A 43 7.081 -1.881 -1.249 1.00 0.27 H new ATOM 0 HB2 LYS A 43 9.086 -2.555 -0.322 1.00 0.39 H new ATOM 0 HB3 LYS A 43 9.629 -0.918 -0.009 1.00 0.39 H new ATOM 0 HG2 LYS A 43 7.316 -2.136 1.523 1.00 1.29 H new ATOM 0 HG3 LYS A 43 8.981 -2.396 2.004 1.00 1.29 H new ATOM 0 HD2 LYS A 43 8.757 0.411 1.549 1.00 0.70 H new ATOM 0 HD3 LYS A 43 7.296 -0.037 2.407 1.00 0.70 H new ATOM 0 HE2 LYS A 43 8.869 0.471 4.123 1.00 1.20 H new ATOM 0 HE3 LYS A 43 8.807 -1.280 4.086 1.00 1.20 H new ATOM 0 HZ1 LYS A 43 11.068 -0.484 4.185 1.00 2.35 H new ATOM 0 HZ2 LYS A 43 10.800 -1.293 2.717 1.00 2.35 H new ATOM 0 HZ3 LYS A 43 10.860 0.404 2.753 1.00 2.35 H new ATOM 638 N LEU A 44 5.616 -0.570 0.064 1.00 0.22 N ATOM 639 CA LEU A 44 4.573 0.123 0.765 1.00 0.20 C ATOM 640 C LEU A 44 4.404 -0.597 2.097 1.00 0.23 C ATOM 641 O LEU A 44 4.424 -1.819 2.145 1.00 0.46 O ATOM 642 CB LEU A 44 3.342 0.135 -0.145 1.00 0.28 C ATOM 643 CG LEU A 44 2.004 0.016 0.552 1.00 0.55 C ATOM 644 CD1 LEU A 44 1.795 1.009 1.668 1.00 0.65 C ATOM 645 CD2 LEU A 44 0.866 0.103 -0.440 1.00 0.78 C ATOM 0 H LEU A 44 5.403 -1.558 -0.072 1.00 0.22 H new ATOM 0 HA LEU A 44 4.781 1.168 0.995 1.00 0.20 H new ATOM 0 HB2 LEU A 44 3.349 1.060 -0.721 1.00 0.28 H new ATOM 0 HB3 LEU A 44 3.433 -0.685 -0.858 1.00 0.28 H new ATOM 0 HG LEU A 44 2.013 -0.969 1.019 1.00 0.55 H new ATOM 0 HD11 LEU A 44 0.812 0.854 2.113 1.00 0.65 H new ATOM 0 HD12 LEU A 44 2.564 0.869 2.428 1.00 0.65 H new ATOM 0 HD13 LEU A 44 1.858 2.022 1.270 1.00 0.65 H new ATOM 0 HD21 LEU A 44 -0.084 0.015 0.087 1.00 0.78 H new ATOM 0 HD22 LEU A 44 0.906 1.062 -0.957 1.00 0.78 H new ATOM 0 HD23 LEU A 44 0.954 -0.705 -1.167 1.00 0.78 H new ATOM 657 N VAL A 45 4.289 0.181 3.167 1.00 0.17 N ATOM 658 CA VAL A 45 4.101 -0.186 4.544 1.00 0.17 C ATOM 659 C VAL A 45 2.829 0.534 4.970 1.00 0.17 C ATOM 660 O VAL A 45 2.638 1.714 4.664 1.00 0.22 O ATOM 661 CB VAL A 45 5.329 0.257 5.353 1.00 0.22 C ATOM 662 CG1 VAL A 45 4.993 0.618 6.804 1.00 0.25 C ATOM 663 CG2 VAL A 45 6.359 -0.871 5.335 1.00 0.30 C ATOM 0 H VAL A 45 4.332 1.195 3.066 1.00 0.17 H new ATOM 0 HA VAL A 45 4.001 -1.260 4.704 1.00 0.17 H new ATOM 0 HB VAL A 45 5.722 1.160 4.887 1.00 0.22 H new ATOM 0 HG11 VAL A 45 5.902 0.923 7.323 1.00 0.25 H new ATOM 0 HG12 VAL A 45 4.275 1.438 6.818 1.00 0.25 H new ATOM 0 HG13 VAL A 45 4.563 -0.250 7.305 1.00 0.25 H new ATOM 0 HG21 VAL A 45 7.238 -0.571 5.906 1.00 0.30 H new ATOM 0 HG22 VAL A 45 5.926 -1.767 5.780 1.00 0.30 H new ATOM 0 HG23 VAL A 45 6.650 -1.082 4.306 1.00 0.30 H new ATOM 673 N VAL A 46 1.949 -0.210 5.621 1.00 0.24 N ATOM 674 CA VAL A 46 0.667 0.244 6.114 1.00 0.25 C ATOM 675 C VAL A 46 0.656 -0.041 7.609 1.00 0.24 C ATOM 676 O VAL A 46 0.908 -1.182 8.003 1.00 0.31 O ATOM 677 CB VAL A 46 -0.409 -0.530 5.340 1.00 0.37 C ATOM 678 CG1 VAL A 46 -1.623 -0.944 6.165 1.00 0.88 C ATOM 679 CG2 VAL A 46 -0.894 0.290 4.142 1.00 0.36 C ATOM 0 H VAL A 46 2.122 -1.194 5.828 1.00 0.24 H new ATOM 0 HA VAL A 46 0.479 1.308 5.969 1.00 0.25 H new ATOM 0 HB VAL A 46 0.084 -1.450 5.026 1.00 0.37 H new ATOM 0 HG11 VAL A 46 -2.326 -1.484 5.531 1.00 0.88 H new ATOM 0 HG12 VAL A 46 -1.304 -1.588 6.984 1.00 0.88 H new ATOM 0 HG13 VAL A 46 -2.108 -0.056 6.570 1.00 0.88 H new ATOM 0 HG21 VAL A 46 -1.657 -0.271 3.602 1.00 0.36 H new ATOM 0 HG22 VAL A 46 -1.316 1.232 4.493 1.00 0.36 H new ATOM 0 HG23 VAL A 46 -0.055 0.494 3.477 1.00 0.36 H new ATOM 689 N ASP A 47 0.362 0.979 8.419 1.00 0.20 N ATOM 690 CA ASP A 47 0.202 0.829 9.851 1.00 0.21 C ATOM 691 C ASP A 47 -1.292 0.954 10.099 1.00 0.18 C ATOM 692 O ASP A 47 -1.860 2.042 9.963 1.00 0.25 O ATOM 693 CB ASP A 47 1.000 1.894 10.604 1.00 0.30 C ATOM 694 CG ASP A 47 2.493 1.848 10.290 1.00 1.04 C ATOM 695 OD1 ASP A 47 3.059 0.734 10.340 1.00 1.91 O ATOM 696 OD2 ASP A 47 3.046 2.930 10.004 1.00 2.45 O ATOM 0 H ASP A 47 0.229 1.935 8.089 1.00 0.20 H new ATOM 0 HA ASP A 47 0.582 -0.127 10.212 1.00 0.21 H new ATOM 0 HB2 ASP A 47 0.610 2.880 10.350 1.00 0.30 H new ATOM 0 HB3 ASP A 47 0.855 1.760 11.676 1.00 0.30 H new ATOM 701 N ALA A 48 -1.938 -0.177 10.381 1.00 0.20 N ATOM 702 CA ALA A 48 -3.377 -0.289 10.518 1.00 0.24 C ATOM 703 C ALA A 48 -3.678 -0.965 11.846 1.00 0.41 C ATOM 704 O ALA A 48 -3.008 -1.936 12.199 1.00 0.70 O ATOM 705 CB ALA A 48 -3.932 -1.112 9.354 1.00 0.31 C ATOM 0 H ALA A 48 -1.453 -1.063 10.523 1.00 0.20 H new ATOM 0 HA ALA A 48 -3.846 0.695 10.498 1.00 0.24 H new ATOM 0 HB1 ALA A 48 -5.014 -1.199 9.453 1.00 0.31 H new ATOM 0 HB2 ALA A 48 -3.692 -0.618 8.412 1.00 0.31 H new ATOM 0 HB3 ALA A 48 -3.486 -2.106 9.366 1.00 0.31 H new ATOM 711 N ASP A 49 -4.678 -0.461 12.571 1.00 0.38 N ATOM 712 CA ASP A 49 -5.127 -1.074 13.819 1.00 0.51 C ATOM 713 C ASP A 49 -6.536 -1.625 13.619 1.00 0.51 C ATOM 714 O ASP A 49 -7.490 -1.261 14.301 1.00 0.58 O ATOM 715 CB ASP A 49 -5.025 -0.081 14.984 1.00 0.65 C ATOM 716 CG ASP A 49 -5.214 -0.768 16.335 1.00 2.29 C ATOM 717 OD1 ASP A 49 -4.822 -1.951 16.441 1.00 3.35 O ATOM 718 OD2 ASP A 49 -5.703 -0.080 17.256 1.00 3.64 O ATOM 0 H ASP A 49 -5.196 0.378 12.311 1.00 0.38 H new ATOM 0 HA ASP A 49 -4.478 -1.908 14.086 1.00 0.51 H new ATOM 0 HB2 ASP A 49 -4.052 0.410 14.959 1.00 0.65 H new ATOM 0 HB3 ASP A 49 -5.778 0.698 14.864 1.00 0.65 H new ATOM 723 N ASN A 50 -6.648 -2.514 12.632 1.00 0.49 N ATOM 724 CA ASN A 50 -7.805 -3.356 12.391 1.00 0.44 C ATOM 725 C ASN A 50 -7.263 -4.510 11.555 1.00 0.44 C ATOM 726 O ASN A 50 -6.513 -5.337 12.063 1.00 0.83 O ATOM 727 CB ASN A 50 -8.936 -2.553 11.716 1.00 0.57 C ATOM 728 CG ASN A 50 -10.157 -3.416 11.393 1.00 1.71 C ATOM 729 OD1 ASN A 50 -10.398 -3.749 10.121 1.00 2.41 O flip ATOM 730 ND2 ASN A 50 -10.899 -3.793 12.291 1.00 2.50 N flip ATOM 0 H ASN A 50 -5.901 -2.668 11.955 1.00 0.49 H new ATOM 0 HA ASN A 50 -8.270 -3.737 13.300 1.00 0.44 H new ATOM 0 HB2 ASN A 50 -9.237 -1.735 12.371 1.00 0.57 H new ATOM 0 HB3 ASN A 50 -8.559 -2.104 10.797 1.00 0.57 H new ATOM 0 HD21 ASN A 50 -10.704 -3.532 13.257 1.00 2.50 H new ATOM 0 HD22 ASN A 50 -11.712 -4.368 12.073 1.00 2.50 H new ATOM 737 N ASP A 51 -7.541 -4.492 10.253 1.00 0.39 N ATOM 738 CA ASP A 51 -7.065 -5.418 9.257 1.00 0.41 C ATOM 739 C ASP A 51 -7.606 -4.918 7.929 1.00 0.38 C ATOM 740 O ASP A 51 -8.813 -4.945 7.691 1.00 0.73 O ATOM 741 CB ASP A 51 -7.584 -6.827 9.515 1.00 0.59 C ATOM 742 CG ASP A 51 -6.891 -7.844 8.606 1.00 0.93 C ATOM 743 OD1 ASP A 51 -6.080 -7.429 7.745 1.00 1.78 O ATOM 744 OD2 ASP A 51 -7.110 -9.059 8.804 1.00 1.77 O ATOM 0 H ASP A 51 -8.147 -3.777 9.850 1.00 0.39 H new ATOM 0 HA ASP A 51 -5.976 -5.468 9.272 1.00 0.41 H new ATOM 0 HB2 ASP A 51 -7.417 -7.094 10.558 1.00 0.59 H new ATOM 0 HB3 ASP A 51 -8.660 -6.858 9.346 1.00 0.59 H new ATOM 749 N ILE A 52 -6.727 -4.345 7.120 1.00 0.36 N ATOM 750 CA ILE A 52 -7.073 -3.863 5.795 1.00 0.34 C ATOM 751 C ILE A 52 -6.036 -4.222 4.755 1.00 0.39 C ATOM 752 O ILE A 52 -6.276 -3.961 3.594 1.00 0.28 O ATOM 753 CB ILE A 52 -7.282 -2.349 5.777 1.00 0.34 C ATOM 754 CG1 ILE A 52 -6.133 -1.589 6.447 1.00 0.41 C ATOM 755 CG2 ILE A 52 -8.624 -1.966 6.375 1.00 0.34 C ATOM 756 CD1 ILE A 52 -4.973 -1.406 5.483 1.00 0.48 C ATOM 0 H ILE A 52 -5.748 -4.201 7.368 1.00 0.36 H new ATOM 0 HA ILE A 52 -8.008 -4.363 5.542 1.00 0.34 H new ATOM 0 HB ILE A 52 -7.286 -2.048 4.729 1.00 0.34 H new ATOM 0 HG12 ILE A 52 -6.485 -0.616 6.788 1.00 0.41 H new ATOM 0 HG13 ILE A 52 -5.796 -2.134 7.329 1.00 0.41 H new ATOM 0 HG21 ILE A 52 -8.739 -0.882 6.346 1.00 0.34 H new ATOM 0 HG22 ILE A 52 -9.425 -2.432 5.800 1.00 0.34 H new ATOM 0 HG23 ILE A 52 -8.673 -2.309 7.409 1.00 0.34 H new ATOM 0 HD11 ILE A 52 -4.169 -0.864 5.980 1.00 0.48 H new ATOM 0 HD12 ILE A 52 -4.609 -2.382 5.163 1.00 0.48 H new ATOM 0 HD13 ILE A 52 -5.308 -0.841 4.614 1.00 0.48 H new ATOM 768 N ARG A 53 -4.885 -4.786 5.102 1.00 0.68 N ATOM 769 CA ARG A 53 -3.909 -5.238 4.119 1.00 0.47 C ATOM 770 C ARG A 53 -4.551 -5.961 2.933 1.00 0.35 C ATOM 771 O ARG A 53 -4.193 -5.691 1.796 1.00 0.24 O ATOM 772 CB ARG A 53 -2.876 -6.159 4.772 1.00 0.49 C ATOM 773 CG ARG A 53 -3.598 -6.975 5.829 1.00 0.80 C ATOM 774 CD ARG A 53 -3.164 -8.415 5.935 1.00 1.46 C ATOM 775 NE ARG A 53 -4.051 -9.035 6.942 1.00 1.88 N ATOM 776 CZ ARG A 53 -4.245 -10.342 7.158 1.00 2.40 C ATOM 777 NH1 ARG A 53 -3.436 -11.232 6.574 1.00 2.58 N ATOM 778 NH2 ARG A 53 -5.250 -10.751 7.937 1.00 2.92 N ATOM 0 H ARG A 53 -4.603 -4.942 6.070 1.00 0.68 H new ATOM 0 HA ARG A 53 -3.423 -4.341 3.736 1.00 0.47 H new ATOM 0 HB2 ARG A 53 -2.420 -6.812 4.028 1.00 0.49 H new ATOM 0 HB3 ARG A 53 -2.071 -5.576 5.220 1.00 0.49 H new ATOM 0 HG2 ARG A 53 -3.452 -6.496 6.797 1.00 0.80 H new ATOM 0 HG3 ARG A 53 -4.667 -6.949 5.618 1.00 0.80 H new ATOM 0 HD2 ARG A 53 -3.252 -8.921 4.973 1.00 1.46 H new ATOM 0 HD3 ARG A 53 -2.119 -8.486 6.238 1.00 1.46 H new ATOM 0 HE ARG A 53 -4.574 -8.395 7.540 1.00 1.88 H new ATOM 0 HH11 ARG A 53 -2.679 -10.913 5.970 1.00 2.58 H new ATOM 0 HH12 ARG A 53 -3.576 -12.230 6.733 1.00 2.58 H new ATOM 0 HH21 ARG A 53 -5.872 -10.067 8.369 1.00 2.92 H new ATOM 0 HH22 ARG A 53 -5.396 -11.747 8.100 1.00 2.92 H new ATOM 792 N ALA A 54 -5.511 -6.850 3.195 1.00 0.47 N ATOM 793 CA ALA A 54 -6.213 -7.590 2.161 1.00 0.44 C ATOM 794 C ALA A 54 -7.146 -6.680 1.345 1.00 0.40 C ATOM 795 O ALA A 54 -7.433 -6.949 0.183 1.00 0.57 O ATOM 796 CB ALA A 54 -6.900 -8.785 2.810 1.00 0.54 C ATOM 0 H ALA A 54 -5.821 -7.074 4.141 1.00 0.47 H new ATOM 0 HA ALA A 54 -5.513 -7.976 1.421 1.00 0.44 H new ATOM 0 HB1 ALA A 54 -7.434 -9.355 2.050 1.00 0.54 H new ATOM 0 HB2 ALA A 54 -6.152 -9.422 3.283 1.00 0.54 H new ATOM 0 HB3 ALA A 54 -7.606 -8.434 3.563 1.00 0.54 H new ATOM 802 N GLN A 55 -7.575 -5.553 1.922 1.00 0.35 N ATOM 803 CA GLN A 55 -8.145 -4.449 1.168 1.00 0.28 C ATOM 804 C GLN A 55 -7.074 -3.710 0.367 1.00 0.21 C ATOM 805 O GLN A 55 -7.300 -3.396 -0.797 1.00 0.23 O ATOM 806 CB GLN A 55 -8.936 -3.483 2.057 1.00 0.44 C ATOM 807 CG GLN A 55 -10.390 -3.918 2.275 1.00 0.69 C ATOM 808 CD GLN A 55 -10.503 -5.184 3.116 1.00 1.49 C ATOM 809 OE1 GLN A 55 -10.646 -6.280 2.585 1.00 3.15 O ATOM 810 NE2 GLN A 55 -10.456 -5.044 4.438 1.00 1.17 N ATOM 0 H GLN A 55 -7.534 -5.387 2.928 1.00 0.35 H new ATOM 0 HA GLN A 55 -8.853 -4.884 0.463 1.00 0.28 H new ATOM 0 HB2 GLN A 55 -8.439 -3.399 3.024 1.00 0.44 H new ATOM 0 HB3 GLN A 55 -8.924 -2.491 1.606 1.00 0.44 H new ATOM 0 HG2 GLN A 55 -10.937 -3.112 2.763 1.00 0.69 H new ATOM 0 HG3 GLN A 55 -10.864 -4.085 1.308 1.00 0.69 H new ATOM 0 HE21 GLN A 55 -10.336 -4.118 4.849 1.00 1.17 H new ATOM 0 HE22 GLN A 55 -10.540 -5.863 5.041 1.00 1.17 H new ATOM 819 N VAL A 56 -5.929 -3.395 0.973 1.00 0.21 N ATOM 820 CA VAL A 56 -4.869 -2.624 0.344 1.00 0.22 C ATOM 821 C VAL A 56 -4.426 -3.323 -0.928 1.00 0.20 C ATOM 822 O VAL A 56 -4.391 -2.720 -1.994 1.00 0.22 O ATOM 823 CB VAL A 56 -3.666 -2.450 1.254 1.00 0.25 C ATOM 824 CG1 VAL A 56 -2.515 -1.774 0.497 1.00 0.30 C ATOM 825 CG2 VAL A 56 -4.041 -1.640 2.484 1.00 0.32 C ATOM 0 H VAL A 56 -5.714 -3.675 1.930 1.00 0.21 H new ATOM 0 HA VAL A 56 -5.270 -1.634 0.125 1.00 0.22 H new ATOM 0 HB VAL A 56 -3.334 -3.436 1.579 1.00 0.25 H new ATOM 0 HG11 VAL A 56 -1.661 -1.657 1.163 1.00 0.30 H new ATOM 0 HG12 VAL A 56 -2.229 -2.390 -0.355 1.00 0.30 H new ATOM 0 HG13 VAL A 56 -2.837 -0.794 0.144 1.00 0.30 H new ATOM 0 HG21 VAL A 56 -3.167 -1.525 3.125 1.00 0.32 H new ATOM 0 HG22 VAL A 56 -4.398 -0.657 2.177 1.00 0.32 H new ATOM 0 HG23 VAL A 56 -4.828 -2.156 3.033 1.00 0.32 H new ATOM 835 N GLU A 57 -4.051 -4.591 -0.797 1.00 0.22 N ATOM 836 CA GLU A 57 -3.498 -5.364 -1.884 1.00 0.24 C ATOM 837 C GLU A 57 -4.483 -5.408 -3.050 1.00 0.26 C ATOM 838 O GLU A 57 -4.171 -4.946 -4.145 1.00 0.36 O ATOM 839 CB GLU A 57 -2.997 -6.717 -1.349 1.00 0.32 C ATOM 840 CG GLU A 57 -4.027 -7.539 -0.569 1.00 0.87 C ATOM 841 CD GLU A 57 -4.632 -8.671 -1.380 1.00 1.68 C ATOM 842 OE1 GLU A 57 -4.032 -9.766 -1.363 1.00 2.16 O ATOM 843 OE2 GLU A 57 -5.684 -8.407 -1.996 1.00 3.01 O ATOM 0 H GLU A 57 -4.126 -5.109 0.079 1.00 0.22 H new ATOM 0 HA GLU A 57 -2.611 -4.894 -2.309 1.00 0.24 H new ATOM 0 HB2 GLU A 57 -2.644 -7.313 -2.191 1.00 0.32 H new ATOM 0 HB3 GLU A 57 -2.137 -6.537 -0.704 1.00 0.32 H new ATOM 0 HG2 GLU A 57 -3.553 -7.952 0.321 1.00 0.87 H new ATOM 0 HG3 GLU A 57 -4.825 -6.879 -0.228 1.00 0.87 H new ATOM 850 N SER A 58 -5.708 -5.847 -2.773 1.00 0.26 N ATOM 851 CA SER A 58 -6.854 -5.754 -3.657 1.00 0.29 C ATOM 852 C SER A 58 -6.965 -4.353 -4.273 1.00 0.27 C ATOM 853 O SER A 58 -7.177 -4.206 -5.476 1.00 0.33 O ATOM 854 CB SER A 58 -8.097 -6.125 -2.837 1.00 0.37 C ATOM 855 OG SER A 58 -9.268 -6.200 -3.626 1.00 0.92 O ATOM 0 H SER A 58 -5.933 -6.296 -1.885 1.00 0.26 H new ATOM 0 HA SER A 58 -6.750 -6.441 -4.497 1.00 0.29 H new ATOM 0 HB2 SER A 58 -7.931 -7.085 -2.348 1.00 0.37 H new ATOM 0 HB3 SER A 58 -8.241 -5.386 -2.049 1.00 0.37 H new ATOM 0 HG SER A 58 -10.030 -6.441 -3.059 1.00 0.92 H new ATOM 861 N ALA A 59 -6.837 -3.303 -3.460 1.00 0.25 N ATOM 862 CA ALA A 59 -7.023 -1.930 -3.913 1.00 0.29 C ATOM 863 C ALA A 59 -5.957 -1.549 -4.936 1.00 0.27 C ATOM 864 O ALA A 59 -6.277 -1.051 -6.008 1.00 0.30 O ATOM 865 CB ALA A 59 -7.044 -0.946 -2.737 1.00 0.32 C ATOM 0 H ALA A 59 -6.602 -3.384 -2.471 1.00 0.25 H new ATOM 0 HA ALA A 59 -7.996 -1.870 -4.401 1.00 0.29 H new ATOM 0 HB1 ALA A 59 -7.184 0.067 -3.113 1.00 0.32 H new ATOM 0 HB2 ALA A 59 -7.863 -1.200 -2.064 1.00 0.32 H new ATOM 0 HB3 ALA A 59 -6.099 -1.005 -2.196 1.00 0.32 H new ATOM 871 N LEU A 60 -4.693 -1.800 -4.605 1.00 0.23 N ATOM 872 CA LEU A 60 -3.545 -1.572 -5.469 1.00 0.21 C ATOM 873 C LEU A 60 -3.663 -2.393 -6.746 1.00 0.23 C ATOM 874 O LEU A 60 -3.407 -1.894 -7.840 1.00 0.26 O ATOM 875 CB LEU A 60 -2.271 -1.935 -4.697 1.00 0.20 C ATOM 876 CG LEU A 60 -1.639 -0.679 -4.090 1.00 0.27 C ATOM 877 CD1 LEU A 60 -2.606 0.102 -3.209 1.00 0.42 C ATOM 878 CD2 LEU A 60 -0.465 -1.002 -3.175 1.00 0.56 C ATOM 0 H LEU A 60 -4.434 -2.181 -3.695 1.00 0.23 H new ATOM 0 HA LEU A 60 -3.505 -0.522 -5.760 1.00 0.21 H new ATOM 0 HB2 LEU A 60 -2.507 -2.649 -3.908 1.00 0.20 H new ATOM 0 HB3 LEU A 60 -1.560 -2.422 -5.364 1.00 0.20 H new ATOM 0 HG LEU A 60 -1.331 -0.101 -4.961 1.00 0.27 H new ATOM 0 HD11 LEU A 60 -2.103 0.981 -2.807 1.00 0.42 H new ATOM 0 HD12 LEU A 60 -3.466 0.415 -3.801 1.00 0.42 H new ATOM 0 HD13 LEU A 60 -2.942 -0.531 -2.388 1.00 0.42 H new ATOM 0 HD21 LEU A 60 -0.053 -0.077 -2.771 1.00 0.56 H new ATOM 0 HD22 LEU A 60 -0.806 -1.636 -2.356 1.00 0.56 H new ATOM 0 HD23 LEU A 60 0.305 -1.525 -3.742 1.00 0.56 H new ATOM 890 N GLN A 61 -4.058 -3.654 -6.616 1.00 0.25 N ATOM 891 CA GLN A 61 -4.255 -4.527 -7.751 1.00 0.31 C ATOM 892 C GLN A 61 -5.328 -3.945 -8.675 1.00 0.36 C ATOM 893 O GLN A 61 -5.123 -3.862 -9.881 1.00 0.42 O ATOM 894 CB GLN A 61 -4.560 -5.933 -7.231 1.00 0.34 C ATOM 895 CG GLN A 61 -4.683 -6.931 -8.380 1.00 0.49 C ATOM 896 CD GLN A 61 -4.448 -8.358 -7.899 1.00 1.02 C ATOM 897 OE1 GLN A 61 -5.372 -9.160 -7.824 1.00 1.46 O ATOM 898 NE2 GLN A 61 -3.199 -8.682 -7.572 1.00 1.34 N ATOM 0 H GLN A 61 -4.249 -4.094 -5.716 1.00 0.25 H new ATOM 0 HA GLN A 61 -3.357 -4.603 -8.364 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -3.770 -6.252 -6.552 1.00 0.34 H new ATOM 0 HB3 GLN A 61 -5.487 -5.919 -6.657 1.00 0.34 H new ATOM 0 HG2 GLN A 61 -5.674 -6.854 -8.827 1.00 0.49 H new ATOM 0 HG3 GLN A 61 -3.962 -6.684 -9.159 1.00 0.49 H new ATOM 0 HE21 GLN A 61 -2.456 -7.988 -7.647 1.00 1.34 H new ATOM 0 HE22 GLN A 61 -2.985 -9.625 -7.246 1.00 1.34 H new ATOM 907 N LYS A 62 -6.449 -3.492 -8.107 1.00 0.38 N ATOM 908 CA LYS A 62 -7.499 -2.821 -8.863 1.00 0.45 C ATOM 909 C LYS A 62 -7.009 -1.508 -9.487 1.00 0.44 C ATOM 910 O LYS A 62 -7.338 -1.215 -10.633 1.00 0.51 O ATOM 911 CB LYS A 62 -8.730 -2.633 -7.975 1.00 0.55 C ATOM 912 CG LYS A 62 -9.411 -4.002 -7.851 1.00 1.13 C ATOM 913 CD LYS A 62 -10.734 -3.949 -7.090 1.00 1.40 C ATOM 914 CE LYS A 62 -10.579 -4.009 -5.565 1.00 2.46 C ATOM 915 NZ LYS A 62 -10.507 -2.677 -4.939 1.00 3.28 N ATOM 0 H LYS A 62 -6.650 -3.582 -7.111 1.00 0.38 H new ATOM 0 HA LYS A 62 -7.785 -3.451 -9.705 1.00 0.45 H new ATOM 0 HB2 LYS A 62 -8.443 -2.256 -6.994 1.00 0.55 H new ATOM 0 HB3 LYS A 62 -9.411 -1.902 -8.411 1.00 0.55 H new ATOM 0 HG2 LYS A 62 -9.589 -4.404 -8.849 1.00 1.13 H new ATOM 0 HG3 LYS A 62 -8.736 -4.692 -7.345 1.00 1.13 H new ATOM 0 HD2 LYS A 62 -11.258 -3.031 -7.356 1.00 1.40 H new ATOM 0 HD3 LYS A 62 -11.361 -4.779 -7.414 1.00 1.40 H new ATOM 0 HE2 LYS A 62 -11.420 -4.558 -5.142 1.00 2.46 H new ATOM 0 HE3 LYS A 62 -9.677 -4.569 -5.319 1.00 2.46 H new ATOM 0 HZ1 LYS A 62 -9.941 -2.733 -4.068 1.00 3.28 H new ATOM 0 HZ2 LYS A 62 -10.063 -2.007 -5.599 1.00 3.28 H new ATOM 0 HZ3 LYS A 62 -11.467 -2.350 -4.707 1.00 3.28 H new ATOM 929 N ALA A 63 -6.236 -0.712 -8.744 1.00 0.39 N ATOM 930 CA ALA A 63 -5.669 0.536 -9.238 1.00 0.41 C ATOM 931 C ALA A 63 -4.716 0.278 -10.410 1.00 0.39 C ATOM 932 O ALA A 63 -4.692 1.051 -11.364 1.00 0.46 O ATOM 933 CB ALA A 63 -4.965 1.277 -8.098 1.00 0.40 C ATOM 0 H ALA A 63 -5.987 -0.921 -7.777 1.00 0.39 H new ATOM 0 HA ALA A 63 -6.477 1.167 -9.610 1.00 0.41 H new ATOM 0 HB1 ALA A 63 -4.544 2.209 -8.475 1.00 0.40 H new ATOM 0 HB2 ALA A 63 -5.684 1.497 -7.309 1.00 0.40 H new ATOM 0 HB3 ALA A 63 -4.166 0.653 -7.698 1.00 0.40 H new ATOM 939 N GLY A 64 -3.947 -0.812 -10.332 1.00 0.36 N ATOM 940 CA GLY A 64 -3.120 -1.325 -11.415 1.00 0.39 C ATOM 941 C GLY A 64 -1.659 -1.481 -11.000 1.00 0.39 C ATOM 942 O GLY A 64 -0.766 -1.084 -11.744 1.00 0.52 O ATOM 0 H GLY A 64 -3.885 -1.376 -9.484 1.00 0.36 H new ATOM 0 HA2 GLY A 64 -3.508 -2.290 -11.741 1.00 0.39 H new ATOM 0 HA3 GLY A 64 -3.183 -0.651 -12.269 1.00 0.39 H new ATOM 946 N TYR A 65 -1.406 -2.069 -9.826 1.00 0.29 N ATOM 947 CA TYR A 65 -0.075 -2.379 -9.335 1.00 0.33 C ATOM 948 C TYR A 65 0.060 -3.883 -9.085 1.00 0.41 C ATOM 949 O TYR A 65 -0.931 -4.610 -9.039 1.00 0.59 O ATOM 950 CB TYR A 65 0.154 -1.590 -8.047 1.00 0.31 C ATOM 951 CG TYR A 65 0.138 -0.086 -8.234 1.00 0.34 C ATOM 952 CD1 TYR A 65 1.238 0.566 -8.825 1.00 1.67 C ATOM 953 CD2 TYR A 65 -1.018 0.649 -7.917 1.00 1.80 C ATOM 954 CE1 TYR A 65 1.173 1.942 -9.107 1.00 1.66 C ATOM 955 CE2 TYR A 65 -1.092 2.017 -8.222 1.00 1.86 C ATOM 956 CZ TYR A 65 -0.001 2.664 -8.825 1.00 0.56 C ATOM 957 OH TYR A 65 -0.089 3.991 -9.122 1.00 0.74 O ATOM 0 H TYR A 65 -2.146 -2.346 -9.181 1.00 0.29 H new ATOM 0 HA TYR A 65 0.676 -2.099 -10.074 1.00 0.33 H new ATOM 0 HB2 TYR A 65 -0.614 -1.864 -7.324 1.00 0.31 H new ATOM 0 HB3 TYR A 65 1.113 -1.882 -7.620 1.00 0.31 H new ATOM 0 HD1 TYR A 65 2.132 0.008 -9.062 1.00 1.67 H new ATOM 0 HD2 TYR A 65 -1.852 0.159 -7.437 1.00 1.80 H new ATOM 0 HE1 TYR A 65 2.025 2.445 -9.540 1.00 1.66 H new ATOM 0 HE2 TYR A 65 -1.989 2.573 -7.993 1.00 1.86 H new ATOM 0 HH TYR A 65 -0.971 4.327 -8.860 1.00 0.74 H new ATOM 967 N SER A 66 1.298 -4.342 -8.900 1.00 0.48 N ATOM 968 CA SER A 66 1.648 -5.734 -8.671 1.00 0.61 C ATOM 969 C SER A 66 2.413 -5.835 -7.354 1.00 0.65 C ATOM 970 O SER A 66 3.634 -5.994 -7.347 1.00 0.92 O ATOM 971 CB SER A 66 2.458 -6.257 -9.863 1.00 0.80 C ATOM 972 OG SER A 66 1.715 -6.067 -11.053 1.00 1.54 O ATOM 0 H SER A 66 2.112 -3.727 -8.907 1.00 0.48 H new ATOM 0 HA SER A 66 0.757 -6.356 -8.589 1.00 0.61 H new ATOM 0 HB2 SER A 66 3.411 -5.732 -9.928 1.00 0.80 H new ATOM 0 HB3 SER A 66 2.685 -7.314 -9.727 1.00 0.80 H new ATOM 0 HG SER A 66 2.231 -6.399 -11.817 1.00 1.54 H new ATOM 978 N LEU A 67 1.675 -5.715 -6.247 1.00 0.44 N ATOM 979 CA LEU A 67 2.206 -5.935 -4.910 1.00 0.44 C ATOM 980 C LEU A 67 2.219 -7.400 -4.503 1.00 0.42 C ATOM 981 O LEU A 67 1.571 -8.234 -5.135 1.00 0.44 O ATOM 982 CB LEU A 67 1.669 -4.966 -3.858 1.00 0.43 C ATOM 983 CG LEU A 67 0.530 -5.452 -2.980 1.00 0.61 C ATOM 984 CD1 LEU A 67 -0.019 -4.215 -2.294 1.00 1.72 C ATOM 985 CD2 LEU A 67 -0.513 -6.195 -3.792 1.00 1.58 C ATOM 0 H LEU A 67 0.687 -5.461 -6.259 1.00 0.44 H new ATOM 0 HA LEU A 67 3.262 -5.669 -4.966 1.00 0.44 H new ATOM 0 HB2 LEU A 67 2.497 -4.680 -3.209 1.00 0.43 H new ATOM 0 HB3 LEU A 67 1.338 -4.062 -4.370 1.00 0.43 H new ATOM 0 HG LEU A 67 0.866 -6.176 -2.238 1.00 0.61 H new ATOM 0 HD11 LEU A 67 -0.847 -4.497 -1.643 1.00 1.72 H new ATOM 0 HD12 LEU A 67 0.767 -3.749 -1.700 1.00 1.72 H new ATOM 0 HD13 LEU A 67 -0.372 -3.509 -3.045 1.00 1.72 H new ATOM 0 HD21 LEU A 67 -1.315 -6.530 -3.134 1.00 1.58 H new ATOM 0 HD22 LEU A 67 -0.922 -5.531 -4.554 1.00 1.58 H new ATOM 0 HD23 LEU A 67 -0.053 -7.059 -4.272 1.00 1.58 H new ATOM 997 N ARG A 68 2.959 -7.705 -3.438 1.00 0.40 N ATOM 998 CA ARG A 68 2.984 -9.023 -2.838 1.00 0.43 C ATOM 999 C ARG A 68 3.294 -8.868 -1.346 1.00 0.40 C ATOM 1000 O ARG A 68 4.122 -8.034 -0.981 1.00 0.42 O ATOM 1001 CB ARG A 68 4.012 -9.877 -3.598 1.00 0.60 C ATOM 1002 CG ARG A 68 4.006 -11.349 -3.185 1.00 0.78 C ATOM 1003 CD ARG A 68 2.769 -12.106 -3.696 1.00 1.22 C ATOM 1004 NE ARG A 68 2.258 -12.999 -2.648 1.00 2.04 N ATOM 1005 CZ ARG A 68 2.692 -14.224 -2.330 1.00 2.70 C ATOM 1006 NH1 ARG A 68 3.430 -14.919 -3.202 1.00 2.97 N ATOM 1007 NH2 ARG A 68 2.397 -14.741 -1.135 1.00 3.96 N ATOM 0 H ARG A 68 3.562 -7.030 -2.968 1.00 0.40 H new ATOM 0 HA ARG A 68 2.025 -9.535 -2.912 1.00 0.43 H new ATOM 0 HB2 ARG A 68 3.811 -9.807 -4.667 1.00 0.60 H new ATOM 0 HB3 ARG A 68 5.008 -9.465 -3.433 1.00 0.60 H new ATOM 0 HG2 ARG A 68 4.905 -11.832 -3.566 1.00 0.78 H new ATOM 0 HG3 ARG A 68 4.044 -11.417 -2.098 1.00 0.78 H new ATOM 0 HD2 ARG A 68 1.995 -11.397 -3.991 1.00 1.22 H new ATOM 0 HD3 ARG A 68 3.027 -12.684 -4.584 1.00 1.22 H new ATOM 0 HE ARG A 68 1.478 -12.642 -2.096 1.00 2.04 H new ATOM 0 HH11 ARG A 68 3.662 -14.515 -4.109 1.00 2.97 H new ATOM 0 HH12 ARG A 68 3.761 -15.853 -2.960 1.00 2.97 H new ATOM 0 HH21 ARG A 68 1.843 -14.203 -0.469 1.00 3.96 H new ATOM 0 HH22 ARG A 68 2.726 -15.674 -0.888 1.00 3.96 H new ATOM 1021 N ASP A 69 2.592 -9.640 -0.511 1.00 0.45 N ATOM 1022 CA ASP A 69 2.679 -9.707 0.947 1.00 0.49 C ATOM 1023 C ASP A 69 4.113 -9.881 1.453 1.00 0.50 C ATOM 1024 O ASP A 69 4.755 -10.891 1.170 1.00 0.71 O ATOM 1025 CB ASP A 69 1.740 -10.815 1.482 1.00 0.66 C ATOM 1026 CG ASP A 69 1.660 -12.045 0.586 1.00 2.73 C ATOM 1027 OD1 ASP A 69 1.163 -11.877 -0.548 1.00 4.23 O ATOM 1028 OD2 ASP A 69 2.102 -13.146 0.978 1.00 3.67 O ATOM 0 H ASP A 69 1.890 -10.287 -0.870 1.00 0.45 H new ATOM 0 HA ASP A 69 2.347 -8.746 1.340 1.00 0.49 H new ATOM 0 HB2 ASP A 69 2.082 -11.120 2.471 1.00 0.66 H new ATOM 0 HB3 ASP A 69 0.739 -10.401 1.604 1.00 0.66 H new ATOM 1033 N GLU A 70 4.583 -8.910 2.249 1.00 0.48 N ATOM 1034 CA GLU A 70 5.834 -8.975 2.993 1.00 0.52 C ATOM 1035 C GLU A 70 5.562 -9.064 4.495 1.00 0.61 C ATOM 1036 O GLU A 70 6.015 -8.218 5.268 1.00 0.62 O ATOM 1037 CB GLU A 70 6.694 -7.748 2.720 1.00 0.57 C ATOM 1038 CG GLU A 70 7.279 -7.708 1.319 1.00 0.86 C ATOM 1039 CD GLU A 70 8.198 -6.496 1.235 1.00 1.11 C ATOM 1040 OE1 GLU A 70 7.753 -5.414 1.688 1.00 2.23 O ATOM 1041 OE2 GLU A 70 9.343 -6.696 0.776 1.00 1.49 O ATOM 0 H GLU A 70 4.082 -8.033 2.392 1.00 0.48 H new ATOM 0 HA GLU A 70 6.366 -9.868 2.663 1.00 0.52 H new ATOM 0 HB2 GLU A 70 6.093 -6.852 2.878 1.00 0.57 H new ATOM 0 HB3 GLU A 70 7.508 -7.718 3.444 1.00 0.57 H new ATOM 0 HG2 GLU A 70 7.833 -8.623 1.110 1.00 0.86 H new ATOM 0 HG3 GLU A 70 6.485 -7.638 0.575 1.00 0.86 H new