USER MOD reduce.3.24.130724 H: found=0, std=0, add=507, 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 Set 1.1: A 36 GLN : amide:sc= 0.533 K(o=1.4,f=-11!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -126:sc= 0.912 (180deg=-1.6) USER MOD Set 2.1: A 15 CYS SG : rot 180:sc= -0.154 USER MOD Set 2.2: A 18 CYS SG : rot 126:sc= 0.236 USER MOD Single : A 6 TYR OH : rot 155:sc= 1.56 USER MOD Single : A 7 SER OG : rot 180:sc= -0.136 USER MOD Single : A 9 LYS NZ :NH3+ 161:sc= -0.156 (180deg=-0.709) USER MOD Single : A 11 SER OG : rot -4:sc= 0.566 USER MOD Single : A 13 MET CE :methyl 162:sc= 0 (180deg=-0.113) 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=0.022) USER MOD Single : A 28 GLN : amide:sc= -0.214 X(o=-0.21,f=-0.12) USER MOD Single : A 33 ASN : amide:sc= -0.482 X(o=-0.48,f=-0.016) USER MOD Single : A 34 GLN : amide:sc= -0.0774 X(o=-0.077,f=-0.13) USER MOD Single : A 41 THR OG1 : rot -150:sc= 0 USER MOD Single : A 50 ASN : amide:sc= -1.35 K(o=-1.3,f=-0.82) USER MOD Single : A 55 GLN : amide:sc= -0.121 X(o=-0.12,f=-0.24) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 SER OG : rot 180:sc= -0.0238 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.252 -2.859 11.715 1.00 0.41 N ATOM 34 CA ARG A 5 2.964 -2.361 10.553 1.00 0.42 C ATOM 35 C ARG A 5 3.062 -3.500 9.556 1.00 0.42 C ATOM 36 O ARG A 5 3.916 -4.379 9.664 1.00 0.87 O ATOM 37 CB ARG A 5 4.353 -1.844 10.948 1.00 0.62 C ATOM 38 CG ARG A 5 5.090 -1.176 9.772 1.00 1.03 C ATOM 39 CD ARG A 5 5.582 -2.125 8.660 1.00 0.90 C ATOM 40 NE ARG A 5 6.328 -3.266 9.215 1.00 1.03 N ATOM 41 CZ ARG A 5 7.629 -3.260 9.555 1.00 1.16 C ATOM 42 NH1 ARG A 5 8.344 -2.140 9.397 1.00 2.40 N ATOM 43 NH2 ARG A 5 8.212 -4.353 10.063 1.00 1.88 N ATOM 0 HA ARG A 5 2.432 -1.521 10.108 1.00 0.42 H new ATOM 0 HB2 ARG A 5 4.252 -1.128 11.763 1.00 0.62 H new ATOM 0 HB3 ARG A 5 4.952 -2.673 11.324 1.00 0.62 H new ATOM 0 HG2 ARG A 5 4.425 -0.437 9.325 1.00 1.03 H new ATOM 0 HG3 ARG A 5 5.949 -0.634 10.167 1.00 1.03 H new ATOM 0 HD2 ARG A 5 4.729 -2.490 8.088 1.00 0.90 H new ATOM 0 HD3 ARG A 5 6.219 -1.575 7.967 1.00 0.90 H new ATOM 0 HE ARG A 5 5.814 -4.136 9.354 1.00 1.03 H new ATOM 0 HH11 ARG A 5 7.901 -1.301 9.022 1.00 2.40 H new ATOM 0 HH12 ARG A 5 9.332 -2.125 9.652 1.00 2.40 H new ATOM 0 HH21 ARG A 5 7.668 -5.206 10.197 1.00 1.88 H new ATOM 0 HH22 ARG A 5 9.200 -4.333 10.316 1.00 1.88 H new ATOM 57 N TYR A 6 2.226 -3.441 8.538 1.00 0.29 N ATOM 58 CA TYR A 6 2.189 -4.393 7.450 1.00 0.23 C ATOM 59 C TYR A 6 2.978 -3.859 6.252 1.00 0.27 C ATOM 60 O TYR A 6 3.165 -2.648 6.166 1.00 0.52 O ATOM 61 CB TYR A 6 0.724 -4.526 7.082 1.00 0.32 C ATOM 62 CG TYR A 6 -0.241 -4.810 8.216 1.00 0.43 C ATOM 63 CD1 TYR A 6 0.052 -5.808 9.157 1.00 1.79 C ATOM 64 CD2 TYR A 6 -1.505 -4.199 8.224 1.00 1.81 C ATOM 65 CE1 TYR A 6 -0.963 -6.285 10.009 1.00 1.90 C ATOM 66 CE2 TYR A 6 -2.513 -4.662 9.087 1.00 1.77 C ATOM 67 CZ TYR A 6 -2.248 -5.712 9.982 1.00 0.67 C ATOM 68 OH TYR A 6 -3.280 -6.351 10.614 1.00 0.87 O ATOM 0 H TYR A 6 1.530 -2.702 8.444 1.00 0.29 H new ATOM 0 HA TYR A 6 2.631 -5.348 7.734 1.00 0.23 H new ATOM 0 HB2 TYR A 6 0.411 -3.604 6.592 1.00 0.32 H new ATOM 0 HB3 TYR A 6 0.629 -5.325 6.347 1.00 0.32 H new ATOM 0 HD1 TYR A 6 1.052 -6.209 9.228 1.00 1.79 H new ATOM 0 HD2 TYR A 6 -1.704 -3.368 7.563 1.00 1.81 H new ATOM 0 HE1 TYR A 6 -0.753 -7.098 10.689 1.00 1.90 H new ATOM 0 HE2 TYR A 6 -3.493 -4.210 9.062 1.00 1.77 H new ATOM 0 HH TYR A 6 -3.966 -5.697 10.863 1.00 0.87 H new ATOM 78 N SER A 7 3.440 -4.726 5.337 1.00 0.23 N ATOM 79 CA SER A 7 4.260 -4.332 4.186 1.00 0.17 C ATOM 80 C SER A 7 3.835 -5.073 2.920 1.00 0.16 C ATOM 81 O SER A 7 3.363 -6.204 3.004 1.00 0.21 O ATOM 82 CB SER A 7 5.738 -4.634 4.485 1.00 0.32 C ATOM 83 OG SER A 7 6.090 -4.241 5.800 1.00 1.86 O ATOM 0 H SER A 7 3.252 -5.728 5.378 1.00 0.23 H new ATOM 0 HA SER A 7 4.121 -3.264 4.017 1.00 0.17 H new ATOM 0 HB2 SER A 7 5.926 -5.700 4.360 1.00 0.32 H new ATOM 0 HB3 SER A 7 6.370 -4.113 3.766 1.00 0.32 H new ATOM 0 HG SER A 7 7.034 -4.447 5.961 1.00 1.86 H new ATOM 89 N TRP A 8 4.034 -4.442 1.758 1.00 0.14 N ATOM 90 CA TRP A 8 3.880 -5.055 0.447 1.00 0.16 C ATOM 91 C TRP A 8 5.085 -4.695 -0.416 1.00 0.15 C ATOM 92 O TRP A 8 5.510 -3.537 -0.414 1.00 0.16 O ATOM 93 CB TRP A 8 2.566 -4.607 -0.217 1.00 0.22 C ATOM 94 CG TRP A 8 1.358 -4.974 0.592 1.00 0.26 C ATOM 95 CD1 TRP A 8 0.746 -6.173 0.541 1.00 0.43 C ATOM 96 CD2 TRP A 8 0.745 -4.356 1.747 1.00 0.20 C ATOM 97 NE1 TRP A 8 0.294 -6.461 1.836 1.00 0.26 N ATOM 98 CE2 TRP A 8 0.483 -5.369 2.677 1.00 0.22 C ATOM 99 CE3 TRP A 8 0.283 -3.105 2.184 1.00 0.33 C ATOM 100 CZ2 TRP A 8 0.280 -4.954 4.018 1.00 0.31 C ATOM 101 CZ3 TRP A 8 -0.807 -3.137 3.088 1.00 0.38 C ATOM 102 CH2 TRP A 8 -0.649 -3.928 4.199 1.00 0.35 C ATOM 0 H TRP A 8 4.315 -3.463 1.709 1.00 0.14 H new ATOM 0 HA TRP A 8 3.832 -6.138 0.557 1.00 0.16 H new ATOM 0 HB2 TRP A 8 2.587 -3.527 -0.363 1.00 0.22 H new ATOM 0 HB3 TRP A 8 2.489 -5.061 -1.205 1.00 0.22 H new ATOM 0 HD1 TRP A 8 0.626 -6.795 -0.333 1.00 0.43 H new ATOM 0 HE1 TRP A 8 -0.117 -7.349 2.123 1.00 0.26 H new ATOM 0 HE3 TRP A 8 0.729 -2.179 1.853 1.00 0.33 H new ATOM 0 HZ2 TRP A 8 0.810 -5.403 4.845 1.00 0.31 H new ATOM 0 HZ3 TRP A 8 -1.710 -2.572 2.913 1.00 0.38 H new ATOM 0 HH2 TRP A 8 -1.190 -3.772 5.121 1.00 0.35 H new ATOM 113 N LYS A 9 5.571 -5.667 -1.194 1.00 0.21 N ATOM 114 CA LYS A 9 6.564 -5.448 -2.234 1.00 0.23 C ATOM 115 C LYS A 9 5.794 -5.321 -3.530 1.00 0.31 C ATOM 116 O LYS A 9 4.855 -6.083 -3.750 1.00 0.46 O ATOM 117 CB LYS A 9 7.561 -6.610 -2.359 1.00 0.30 C ATOM 118 CG LYS A 9 6.901 -7.994 -2.529 1.00 0.68 C ATOM 119 CD LYS A 9 7.889 -9.165 -2.444 1.00 0.69 C ATOM 120 CE LYS A 9 8.487 -9.555 -3.804 1.00 1.40 C ATOM 121 NZ LYS A 9 9.270 -8.464 -4.420 1.00 2.99 N ATOM 0 H LYS A 9 5.277 -6.640 -1.113 1.00 0.21 H new ATOM 0 HA LYS A 9 7.149 -4.560 -1.993 1.00 0.23 H new ATOM 0 HB2 LYS A 9 8.214 -6.424 -3.212 1.00 0.30 H new ATOM 0 HB3 LYS A 9 8.194 -6.628 -1.472 1.00 0.30 H new ATOM 0 HG2 LYS A 9 6.137 -8.119 -1.762 1.00 0.68 H new ATOM 0 HG3 LYS A 9 6.393 -8.028 -3.493 1.00 0.68 H new ATOM 0 HD2 LYS A 9 8.697 -8.901 -1.762 1.00 0.69 H new ATOM 0 HD3 LYS A 9 7.381 -10.030 -2.017 1.00 0.69 H new ATOM 0 HE2 LYS A 9 9.127 -10.428 -3.677 1.00 1.40 H new ATOM 0 HE3 LYS A 9 7.682 -9.845 -4.480 1.00 1.40 H new ATOM 0 HZ1 LYS A 9 9.902 -8.857 -5.146 1.00 2.99 H new ATOM 0 HZ2 LYS A 9 8.623 -7.777 -4.858 1.00 2.99 H new ATOM 0 HZ3 LYS A 9 9.837 -7.988 -3.689 1.00 2.99 H new ATOM 135 N VAL A 10 6.188 -4.369 -4.367 1.00 0.46 N ATOM 136 CA VAL A 10 5.549 -4.085 -5.637 1.00 0.63 C ATOM 137 C VAL A 10 6.541 -4.309 -6.779 1.00 0.95 C ATOM 138 O VAL A 10 7.648 -4.800 -6.561 1.00 2.08 O ATOM 139 CB VAL A 10 4.875 -2.705 -5.538 1.00 0.77 C ATOM 140 CG1 VAL A 10 5.877 -1.553 -5.546 1.00 1.71 C ATOM 141 CG2 VAL A 10 3.777 -2.481 -6.582 1.00 1.62 C ATOM 0 H VAL A 10 6.982 -3.759 -4.172 1.00 0.46 H new ATOM 0 HA VAL A 10 4.739 -4.774 -5.878 1.00 0.63 H new ATOM 0 HB VAL A 10 4.386 -2.710 -4.564 1.00 0.77 H new ATOM 0 HG11 VAL A 10 5.343 -0.606 -5.474 1.00 1.71 H new ATOM 0 HG12 VAL A 10 6.554 -1.653 -4.697 1.00 1.71 H new ATOM 0 HG13 VAL A 10 6.451 -1.576 -6.472 1.00 1.71 H new ATOM 0 HG21 VAL A 10 3.348 -1.488 -6.451 1.00 1.62 H new ATOM 0 HG22 VAL A 10 4.203 -2.563 -7.582 1.00 1.62 H new ATOM 0 HG23 VAL A 10 2.998 -3.233 -6.457 1.00 1.62 H new ATOM 151 N SER A 11 6.114 -4.040 -8.009 1.00 0.49 N ATOM 152 CA SER A 11 6.972 -3.979 -9.178 1.00 0.50 C ATOM 153 C SER A 11 6.350 -2.940 -10.106 1.00 0.51 C ATOM 154 O SER A 11 5.671 -3.301 -11.065 1.00 0.95 O ATOM 155 CB SER A 11 7.106 -5.364 -9.822 1.00 0.69 C ATOM 156 OG SER A 11 7.592 -6.295 -8.870 1.00 2.15 O ATOM 0 H SER A 11 5.134 -3.854 -8.221 1.00 0.49 H new ATOM 0 HA SER A 11 7.991 -3.683 -8.929 1.00 0.50 H new ATOM 0 HB2 SER A 11 6.139 -5.692 -10.203 1.00 0.69 H new ATOM 0 HB3 SER A 11 7.784 -5.314 -10.674 1.00 0.69 H new ATOM 0 HG SER A 11 7.792 -5.830 -8.031 1.00 2.15 H new ATOM 162 N GLY A 12 6.470 -1.656 -9.754 1.00 0.59 N ATOM 163 CA GLY A 12 5.679 -0.622 -10.409 1.00 0.53 C ATOM 164 C GLY A 12 5.933 0.787 -9.868 1.00 0.68 C ATOM 165 O GLY A 12 6.218 1.696 -10.638 1.00 1.40 O ATOM 0 H GLY A 12 7.100 -1.315 -9.028 1.00 0.59 H new ATOM 0 HA2 GLY A 12 5.895 -0.635 -11.477 1.00 0.53 H new ATOM 0 HA3 GLY A 12 4.621 -0.860 -10.294 1.00 0.53 H new ATOM 169 N MET A 13 5.766 0.992 -8.558 1.00 0.47 N ATOM 170 CA MET A 13 5.745 2.327 -7.962 1.00 0.42 C ATOM 171 C MET A 13 7.089 3.051 -8.084 1.00 0.54 C ATOM 172 O MET A 13 8.086 2.645 -7.487 1.00 0.66 O ATOM 173 CB MET A 13 5.281 2.226 -6.508 1.00 0.44 C ATOM 174 CG MET A 13 3.757 2.062 -6.477 1.00 1.16 C ATOM 175 SD MET A 13 3.070 1.069 -5.130 1.00 2.16 S ATOM 176 CE MET A 13 3.820 1.890 -3.713 1.00 2.07 C ATOM 0 H MET A 13 5.642 0.237 -7.884 1.00 0.47 H new ATOM 0 HA MET A 13 5.035 2.937 -8.521 1.00 0.42 H new ATOM 0 HB2 MET A 13 5.760 1.378 -6.019 1.00 0.44 H new ATOM 0 HB3 MET A 13 5.574 3.120 -5.957 1.00 0.44 H new ATOM 0 HG2 MET A 13 3.310 3.055 -6.429 1.00 1.16 H new ATOM 0 HG3 MET A 13 3.444 1.616 -7.421 1.00 1.16 H new ATOM 0 HE1 MET A 13 3.272 1.627 -2.808 1.00 2.07 H new ATOM 0 HE2 MET A 13 4.858 1.571 -3.615 1.00 2.07 H new ATOM 0 HE3 MET A 13 3.785 2.970 -3.857 1.00 2.07 H new ATOM 186 N ASP A 14 7.078 4.158 -8.827 1.00 0.64 N ATOM 187 CA ASP A 14 8.221 4.779 -9.479 1.00 0.66 C ATOM 188 C ASP A 14 8.242 6.314 -9.364 1.00 0.62 C ATOM 189 O ASP A 14 9.297 6.907 -9.585 1.00 0.69 O ATOM 190 CB ASP A 14 8.143 4.390 -10.963 1.00 0.72 C ATOM 191 CG ASP A 14 6.828 4.816 -11.629 1.00 0.76 C ATOM 192 OD1 ASP A 14 5.866 5.145 -10.900 1.00 1.29 O ATOM 193 OD2 ASP A 14 6.790 4.831 -12.876 1.00 1.09 O ATOM 0 H ASP A 14 6.215 4.674 -8.997 1.00 0.64 H new ATOM 0 HA ASP A 14 9.130 4.429 -8.989 1.00 0.66 H new ATOM 0 HB2 ASP A 14 8.977 4.846 -11.496 1.00 0.72 H new ATOM 0 HB3 ASP A 14 8.257 3.310 -11.056 1.00 0.72 H new ATOM 198 N CYS A 15 7.121 6.957 -9.014 1.00 0.56 N ATOM 199 CA CYS A 15 6.956 8.404 -9.016 1.00 0.53 C ATOM 200 C CYS A 15 6.255 8.836 -7.733 1.00 0.44 C ATOM 201 O CYS A 15 5.458 8.085 -7.169 1.00 0.41 O ATOM 202 CB CYS A 15 6.083 8.876 -10.191 1.00 0.56 C ATOM 203 SG CYS A 15 6.450 8.053 -11.760 1.00 0.76 S ATOM 0 H CYS A 15 6.281 6.463 -8.713 1.00 0.56 H new ATOM 0 HA CYS A 15 7.950 8.843 -9.102 1.00 0.53 H new ATOM 0 HB2 CYS A 15 5.035 8.709 -9.942 1.00 0.56 H new ATOM 0 HB3 CYS A 15 6.213 9.951 -10.318 1.00 0.56 H new ATOM 0 HG CYS A 15 5.664 8.515 -12.687 1.00 0.76 H new ATOM 208 N ALA A 16 6.469 10.093 -7.344 1.00 0.40 N ATOM 209 CA ALA A 16 5.791 10.683 -6.202 1.00 0.37 C ATOM 210 C ALA A 16 4.285 10.796 -6.456 1.00 0.27 C ATOM 211 O ALA A 16 3.487 10.643 -5.535 1.00 0.27 O ATOM 212 CB ALA A 16 6.387 12.062 -5.902 1.00 0.42 C ATOM 0 H ALA A 16 7.117 10.725 -7.814 1.00 0.40 H new ATOM 0 HA ALA A 16 5.937 10.034 -5.338 1.00 0.37 H new ATOM 0 HB1 ALA A 16 5.876 12.501 -5.045 1.00 0.42 H new ATOM 0 HB2 ALA A 16 7.449 11.959 -5.677 1.00 0.42 H new ATOM 0 HB3 ALA A 16 6.261 12.709 -6.770 1.00 0.42 H new ATOM 218 N ALA A 17 3.882 11.086 -7.696 1.00 0.25 N ATOM 219 CA ALA A 17 2.471 11.162 -8.061 1.00 0.22 C ATOM 220 C ALA A 17 1.810 9.791 -7.892 1.00 0.21 C ATOM 221 O ALA A 17 0.771 9.669 -7.242 1.00 0.22 O ATOM 222 CB ALA A 17 2.331 11.674 -9.497 1.00 0.26 C ATOM 0 H ALA A 17 4.522 11.273 -8.468 1.00 0.25 H new ATOM 0 HA ALA A 17 1.963 11.864 -7.400 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.275 11.728 -9.763 1.00 0.26 H new ATOM 0 HB2 ALA A 17 2.776 12.666 -9.575 1.00 0.26 H new ATOM 0 HB3 ALA A 17 2.842 10.993 -10.178 1.00 0.26 H new ATOM 228 N CYS A 18 2.441 8.766 -8.472 1.00 0.24 N ATOM 229 CA CYS A 18 2.052 7.372 -8.331 1.00 0.25 C ATOM 230 C CYS A 18 1.903 7.051 -6.840 1.00 0.20 C ATOM 231 O CYS A 18 0.821 6.667 -6.397 1.00 0.23 O ATOM 232 CB CYS A 18 3.076 6.481 -9.065 1.00 0.34 C ATOM 233 SG CYS A 18 3.125 6.953 -10.829 1.00 0.47 S ATOM 0 H CYS A 18 3.259 8.894 -9.068 1.00 0.24 H new ATOM 0 HA CYS A 18 1.086 7.173 -8.795 1.00 0.25 H new ATOM 0 HB2 CYS A 18 4.063 6.596 -8.618 1.00 0.34 H new ATOM 0 HB3 CYS A 18 2.801 5.431 -8.964 1.00 0.34 H new ATOM 0 HG CYS A 18 4.349 7.224 -11.172 1.00 0.47 H new ATOM 238 N ALA A 19 2.959 7.285 -6.054 1.00 0.20 N ATOM 239 CA ALA A 19 2.915 7.166 -4.604 1.00 0.24 C ATOM 240 C ALA A 19 1.686 7.853 -4.011 1.00 0.23 C ATOM 241 O ALA A 19 0.898 7.190 -3.346 1.00 0.31 O ATOM 242 CB ALA A 19 4.199 7.721 -3.990 1.00 0.30 C ATOM 0 H ALA A 19 3.872 7.564 -6.414 1.00 0.20 H new ATOM 0 HA ALA A 19 2.836 6.107 -4.360 1.00 0.24 H new ATOM 0 HB1 ALA A 19 4.154 7.626 -2.905 1.00 0.30 H new ATOM 0 HB2 ALA A 19 5.055 7.161 -4.368 1.00 0.30 H new ATOM 0 HB3 ALA A 19 4.306 8.772 -4.258 1.00 0.30 H new ATOM 248 N ARG A 20 1.496 9.155 -4.245 1.00 0.22 N ATOM 249 CA ARG A 20 0.359 9.886 -3.723 1.00 0.26 C ATOM 250 C ARG A 20 -0.945 9.153 -4.037 1.00 0.21 C ATOM 251 O ARG A 20 -1.792 8.977 -3.162 1.00 0.24 O ATOM 252 CB ARG A 20 0.345 11.306 -4.289 1.00 0.37 C ATOM 253 CG ARG A 20 0.859 12.315 -3.254 1.00 0.74 C ATOM 254 CD ARG A 20 0.648 13.743 -3.764 1.00 1.14 C ATOM 255 NE ARG A 20 1.389 14.709 -2.938 1.00 2.31 N ATOM 256 CZ ARG A 20 1.559 16.002 -3.252 1.00 3.46 C ATOM 257 NH1 ARG A 20 0.887 16.525 -4.284 1.00 3.67 N ATOM 258 NH2 ARG A 20 2.401 16.760 -2.542 1.00 4.74 N ATOM 0 H ARG A 20 2.132 9.724 -4.803 1.00 0.22 H new ATOM 0 HA ARG A 20 0.449 9.950 -2.639 1.00 0.26 H new ATOM 0 HB2 ARG A 20 0.965 11.351 -5.185 1.00 0.37 H new ATOM 0 HB3 ARG A 20 -0.669 11.572 -4.589 1.00 0.37 H new ATOM 0 HG2 ARG A 20 0.335 12.177 -2.308 1.00 0.74 H new ATOM 0 HG3 ARG A 20 1.918 12.142 -3.060 1.00 0.74 H new ATOM 0 HD2 ARG A 20 0.978 13.816 -4.800 1.00 1.14 H new ATOM 0 HD3 ARG A 20 -0.415 13.986 -3.750 1.00 1.14 H new ATOM 0 HE ARG A 20 1.801 14.373 -2.068 1.00 2.31 H new ATOM 0 HH11 ARG A 20 0.250 15.941 -4.826 1.00 3.67 H new ATOM 0 HH12 ARG A 20 1.011 17.507 -4.528 1.00 3.67 H new ATOM 0 HH21 ARG A 20 2.916 16.355 -1.760 1.00 4.74 H new ATOM 0 HH22 ARG A 20 2.529 17.743 -2.783 1.00 4.74 H new ATOM 272 N LYS A 21 -1.114 8.708 -5.286 1.00 0.19 N ATOM 273 CA LYS A 21 -2.336 8.033 -5.658 1.00 0.22 C ATOM 274 C LYS A 21 -2.480 6.739 -4.870 1.00 0.21 C ATOM 275 O LYS A 21 -3.575 6.413 -4.430 1.00 0.24 O ATOM 276 CB LYS A 21 -2.366 7.743 -7.156 1.00 0.29 C ATOM 277 CG LYS A 21 -3.842 7.655 -7.565 1.00 1.21 C ATOM 278 CD LYS A 21 -4.037 6.912 -8.883 1.00 1.77 C ATOM 279 CE LYS A 21 -3.681 7.771 -10.102 1.00 2.23 C ATOM 280 NZ LYS A 21 -4.265 7.217 -11.342 1.00 2.92 N ATOM 0 H LYS A 21 -0.428 8.806 -6.035 1.00 0.19 H new ATOM 0 HA LYS A 21 -3.174 8.689 -5.422 1.00 0.22 H new ATOM 0 HB2 LYS A 21 -1.858 8.531 -7.712 1.00 0.29 H new ATOM 0 HB3 LYS A 21 -1.848 6.810 -7.379 1.00 0.29 H new ATOM 0 HG2 LYS A 21 -4.404 7.150 -6.780 1.00 1.21 H new ATOM 0 HG3 LYS A 21 -4.252 8.661 -7.654 1.00 1.21 H new ATOM 0 HD2 LYS A 21 -3.420 6.013 -8.884 1.00 1.77 H new ATOM 0 HD3 LYS A 21 -5.074 6.587 -8.963 1.00 1.77 H new ATOM 0 HE2 LYS A 21 -4.043 8.788 -9.950 1.00 2.23 H new ATOM 0 HE3 LYS A 21 -2.597 7.830 -10.203 1.00 2.23 H new ATOM 0 HZ1 LYS A 21 -4.006 7.821 -12.148 1.00 2.92 H new ATOM 0 HZ2 LYS A 21 -3.900 6.256 -11.498 1.00 2.92 H new ATOM 0 HZ3 LYS A 21 -5.301 7.184 -11.253 1.00 2.92 H new ATOM 294 N VAL A 22 -1.388 5.995 -4.713 1.00 0.19 N ATOM 295 CA VAL A 22 -1.389 4.750 -3.968 1.00 0.21 C ATOM 296 C VAL A 22 -1.791 5.028 -2.522 1.00 0.22 C ATOM 297 O VAL A 22 -2.696 4.375 -1.997 1.00 0.26 O ATOM 298 CB VAL A 22 -0.021 4.060 -4.064 1.00 0.23 C ATOM 299 CG1 VAL A 22 0.021 2.805 -3.191 1.00 0.29 C ATOM 300 CG2 VAL A 22 0.247 3.608 -5.502 1.00 0.38 C ATOM 0 H VAL A 22 -0.478 6.244 -5.102 1.00 0.19 H new ATOM 0 HA VAL A 22 -2.118 4.064 -4.399 1.00 0.21 H new ATOM 0 HB VAL A 22 0.725 4.782 -3.733 1.00 0.23 H new ATOM 0 HG11 VAL A 22 1.001 2.335 -3.277 1.00 0.29 H new ATOM 0 HG12 VAL A 22 -0.161 3.079 -2.152 1.00 0.29 H new ATOM 0 HG13 VAL A 22 -0.747 2.106 -3.522 1.00 0.29 H new ATOM 0 HG21 VAL A 22 1.220 3.121 -5.555 1.00 0.38 H new ATOM 0 HG22 VAL A 22 -0.527 2.907 -5.813 1.00 0.38 H new ATOM 0 HG23 VAL A 22 0.239 4.474 -6.163 1.00 0.38 H new ATOM 310 N GLU A 23 -1.134 5.988 -1.866 1.00 0.25 N ATOM 311 CA GLU A 23 -1.435 6.238 -0.471 1.00 0.32 C ATOM 312 C GLU A 23 -2.871 6.728 -0.322 1.00 0.34 C ATOM 313 O GLU A 23 -3.531 6.351 0.630 1.00 0.39 O ATOM 314 CB GLU A 23 -0.406 7.120 0.247 1.00 0.36 C ATOM 315 CG GLU A 23 -0.341 8.541 -0.298 1.00 0.35 C ATOM 316 CD GLU A 23 0.685 9.389 0.441 1.00 0.62 C ATOM 317 OE1 GLU A 23 1.876 9.022 0.370 1.00 2.15 O ATOM 318 OE2 GLU A 23 0.255 10.383 1.065 1.00 1.47 O ATOM 0 H GLU A 23 -0.412 6.584 -2.271 1.00 0.25 H new ATOM 0 HA GLU A 23 -1.352 5.285 0.052 1.00 0.32 H new ATOM 0 HB2 GLU A 23 -0.648 7.157 1.309 1.00 0.36 H new ATOM 0 HB3 GLU A 23 0.579 6.660 0.161 1.00 0.36 H new ATOM 0 HG2 GLU A 23 -0.091 8.511 -1.358 1.00 0.35 H new ATOM 0 HG3 GLU A 23 -1.323 9.006 -0.215 1.00 0.35 H new ATOM 325 N ASN A 24 -3.389 7.508 -1.270 1.00 0.34 N ATOM 326 CA ASN A 24 -4.804 7.868 -1.317 1.00 0.42 C ATOM 327 C ASN A 24 -5.696 6.634 -1.511 1.00 0.41 C ATOM 328 O ASN A 24 -6.724 6.495 -0.843 1.00 0.56 O ATOM 329 CB ASN A 24 -5.054 8.879 -2.446 1.00 0.48 C ATOM 330 CG ASN A 24 -5.003 10.322 -1.957 1.00 1.10 C ATOM 331 OD1 ASN A 24 -4.074 11.064 -2.249 1.00 2.67 O ATOM 332 ND2 ASN A 24 -6.029 10.744 -1.222 1.00 1.55 N ATOM 0 H ASN A 24 -2.837 7.909 -2.029 1.00 0.34 H new ATOM 0 HA ASN A 24 -5.063 8.321 -0.360 1.00 0.42 H new ATOM 0 HB2 ASN A 24 -4.309 8.737 -3.229 1.00 0.48 H new ATOM 0 HB3 ASN A 24 -6.028 8.685 -2.895 1.00 0.48 H new ATOM 0 HD21 ASN A 24 -6.055 11.707 -0.887 1.00 1.55 H new ATOM 0 HD22 ASN A 24 -6.790 10.104 -0.993 1.00 1.55 H new ATOM 339 N ALA A 25 -5.328 5.764 -2.455 1.00 0.33 N ATOM 340 CA ALA A 25 -6.052 4.549 -2.815 1.00 0.38 C ATOM 341 C ALA A 25 -6.185 3.625 -1.610 1.00 0.32 C ATOM 342 O ALA A 25 -7.203 2.959 -1.442 1.00 0.38 O ATOM 343 CB ALA A 25 -5.362 3.836 -3.980 1.00 0.43 C ATOM 0 H ALA A 25 -4.482 5.895 -3.010 1.00 0.33 H new ATOM 0 HA ALA A 25 -7.055 4.829 -3.137 1.00 0.38 H new ATOM 0 HB1 ALA A 25 -5.917 2.933 -4.234 1.00 0.43 H new ATOM 0 HB2 ALA A 25 -5.332 4.498 -4.845 1.00 0.43 H new ATOM 0 HB3 ALA A 25 -4.345 3.569 -3.692 1.00 0.43 H new ATOM 349 N VAL A 26 -5.151 3.595 -0.772 1.00 0.24 N ATOM 350 CA VAL A 26 -5.153 2.841 0.467 1.00 0.23 C ATOM 351 C VAL A 26 -5.861 3.624 1.577 1.00 0.26 C ATOM 352 O VAL A 26 -6.764 3.101 2.224 1.00 0.29 O ATOM 353 CB VAL A 26 -3.707 2.410 0.778 1.00 0.35 C ATOM 354 CG1 VAL A 26 -3.467 2.057 2.244 1.00 2.15 C ATOM 355 CG2 VAL A 26 -3.374 1.256 -0.156 1.00 1.96 C ATOM 0 H VAL A 26 -4.282 4.101 -0.941 1.00 0.24 H new ATOM 0 HA VAL A 26 -5.736 1.924 0.379 1.00 0.23 H new ATOM 0 HB VAL A 26 -3.038 3.254 0.606 1.00 0.35 H new ATOM 0 HG11 VAL A 26 -2.426 1.764 2.382 1.00 2.15 H new ATOM 0 HG12 VAL A 26 -3.686 2.924 2.867 1.00 2.15 H new ATOM 0 HG13 VAL A 26 -4.118 1.231 2.531 1.00 2.15 H new ATOM 0 HG21 VAL A 26 -2.355 0.919 0.031 1.00 1.96 H new ATOM 0 HG22 VAL A 26 -4.067 0.433 0.021 1.00 1.96 H new ATOM 0 HG23 VAL A 26 -3.462 1.588 -1.190 1.00 1.96 H new ATOM 365 N ARG A 27 -5.479 4.879 1.811 1.00 0.28 N ATOM 366 CA ARG A 27 -5.926 5.648 2.964 1.00 0.31 C ATOM 367 C ARG A 27 -7.441 5.838 2.961 1.00 0.38 C ATOM 368 O ARG A 27 -8.060 5.886 4.020 1.00 0.45 O ATOM 369 CB ARG A 27 -5.154 6.970 3.033 1.00 0.26 C ATOM 370 CG ARG A 27 -5.323 7.662 4.386 1.00 0.36 C ATOM 371 CD ARG A 27 -4.272 8.768 4.551 1.00 0.61 C ATOM 372 NE ARG A 27 -4.211 9.228 5.948 1.00 1.19 N ATOM 373 CZ ARG A 27 -3.197 9.923 6.489 1.00 2.14 C ATOM 374 NH1 ARG A 27 -2.197 10.360 5.713 1.00 2.67 N ATOM 375 NH2 ARG A 27 -3.187 10.175 7.801 1.00 2.75 N ATOM 0 H ARG A 27 -4.845 5.392 1.198 1.00 0.28 H new ATOM 0 HA ARG A 27 -5.705 5.090 3.874 1.00 0.31 H new ATOM 0 HB2 ARG A 27 -4.096 6.782 2.852 1.00 0.26 H new ATOM 0 HB3 ARG A 27 -5.500 7.634 2.241 1.00 0.26 H new ATOM 0 HG2 ARG A 27 -6.324 8.087 4.463 1.00 0.36 H new ATOM 0 HG3 ARG A 27 -5.224 6.933 5.190 1.00 0.36 H new ATOM 0 HD2 ARG A 27 -3.295 8.396 4.243 1.00 0.61 H new ATOM 0 HD3 ARG A 27 -4.514 9.606 3.898 1.00 0.61 H new ATOM 0 HE ARG A 27 -5.001 9.001 6.552 1.00 1.19 H new ATOM 0 HH11 ARG A 27 -2.206 10.165 4.712 1.00 2.67 H new ATOM 0 HH12 ARG A 27 -1.427 10.888 6.123 1.00 2.67 H new ATOM 0 HH21 ARG A 27 -3.949 9.840 8.391 1.00 2.75 H new ATOM 0 HH22 ARG A 27 -2.418 10.703 8.213 1.00 2.75 H new ATOM 389 N GLN A 28 -8.048 5.902 1.773 1.00 0.39 N ATOM 390 CA GLN A 28 -9.496 5.965 1.644 1.00 0.44 C ATOM 391 C GLN A 28 -10.232 4.760 2.248 1.00 0.42 C ATOM 392 O GLN A 28 -11.440 4.858 2.434 1.00 0.47 O ATOM 393 CB GLN A 28 -9.901 6.218 0.191 1.00 0.52 C ATOM 394 CG GLN A 28 -9.604 4.991 -0.667 1.00 0.52 C ATOM 395 CD GLN A 28 -9.747 5.294 -2.152 1.00 0.62 C ATOM 396 OE1 GLN A 28 -10.539 4.680 -2.859 1.00 0.77 O ATOM 397 NE2 GLN A 28 -8.976 6.262 -2.635 1.00 0.69 N ATOM 0 H GLN A 28 -7.549 5.911 0.883 1.00 0.39 H new ATOM 0 HA GLN A 28 -9.818 6.815 2.245 1.00 0.44 H new ATOM 0 HB2 GLN A 28 -10.963 6.457 0.139 1.00 0.52 H new ATOM 0 HB3 GLN A 28 -9.361 7.081 -0.198 1.00 0.52 H new ATOM 0 HG2 GLN A 28 -8.592 4.641 -0.463 1.00 0.52 H new ATOM 0 HG3 GLN A 28 -10.282 4.183 -0.394 1.00 0.52 H new ATOM 0 HE21 GLN A 28 -8.328 6.753 -2.019 1.00 0.69 H new ATOM 0 HE22 GLN A 28 -9.032 6.514 -3.622 1.00 0.69 H new ATOM 406 N LEU A 29 -9.564 3.620 2.493 1.00 0.36 N ATOM 407 CA LEU A 29 -10.257 2.415 2.935 1.00 0.35 C ATOM 408 C LEU A 29 -10.950 2.632 4.285 1.00 0.34 C ATOM 409 O LEU A 29 -12.174 2.727 4.329 1.00 0.39 O ATOM 410 CB LEU A 29 -9.295 1.218 2.962 1.00 0.34 C ATOM 411 CG LEU A 29 -8.782 0.838 1.564 1.00 0.36 C ATOM 412 CD1 LEU A 29 -7.620 -0.147 1.718 1.00 0.38 C ATOM 413 CD2 LEU A 29 -9.864 0.198 0.689 1.00 0.45 C ATOM 0 H LEU A 29 -8.554 3.515 2.391 1.00 0.36 H new ATOM 0 HA LEU A 29 -11.043 2.187 2.215 1.00 0.35 H new ATOM 0 HB2 LEU A 29 -8.446 1.453 3.604 1.00 0.34 H new ATOM 0 HB3 LEU A 29 -9.801 0.360 3.404 1.00 0.34 H new ATOM 0 HG LEU A 29 -8.465 1.756 1.069 1.00 0.36 H new ATOM 0 HD11 LEU A 29 -7.246 -0.425 0.733 1.00 0.38 H new ATOM 0 HD12 LEU A 29 -6.820 0.321 2.291 1.00 0.38 H new ATOM 0 HD13 LEU A 29 -7.966 -1.039 2.240 1.00 0.38 H new ATOM 0 HD21 LEU A 29 -9.444 -0.049 -0.286 1.00 0.45 H new ATOM 0 HD22 LEU A 29 -10.229 -0.711 1.168 1.00 0.45 H new ATOM 0 HD23 LEU A 29 -10.690 0.898 0.562 1.00 0.45 H new ATOM 425 N ALA A 30 -10.173 2.674 5.376 1.00 0.33 N ATOM 426 CA ALA A 30 -10.612 2.871 6.755 1.00 0.38 C ATOM 427 C ALA A 30 -9.489 2.476 7.717 1.00 0.38 C ATOM 428 O ALA A 30 -8.990 3.303 8.471 1.00 0.36 O ATOM 429 CB ALA A 30 -11.843 2.016 7.058 1.00 0.40 C ATOM 0 H ALA A 30 -9.161 2.564 5.310 1.00 0.33 H new ATOM 0 HA ALA A 30 -10.865 3.923 6.885 1.00 0.38 H new ATOM 0 HB1 ALA A 30 -12.153 2.178 8.090 1.00 0.40 H new ATOM 0 HB2 ALA A 30 -12.655 2.296 6.387 1.00 0.40 H new ATOM 0 HB3 ALA A 30 -11.600 0.963 6.913 1.00 0.40 H new ATOM 435 N GLY A 31 -9.122 1.190 7.699 1.00 0.43 N ATOM 436 CA GLY A 31 -8.205 0.573 8.654 1.00 0.41 C ATOM 437 C GLY A 31 -6.890 1.334 8.813 1.00 0.39 C ATOM 438 O GLY A 31 -6.365 1.466 9.917 1.00 0.43 O ATOM 0 H GLY A 31 -9.467 0.534 6.998 1.00 0.43 H new ATOM 0 HA2 GLY A 31 -8.696 0.504 9.625 1.00 0.41 H new ATOM 0 HA3 GLY A 31 -7.990 -0.446 8.333 1.00 0.41 H new ATOM 442 N VAL A 32 -6.301 1.718 7.679 1.00 0.36 N ATOM 443 CA VAL A 32 -5.029 2.401 7.604 1.00 0.35 C ATOM 444 C VAL A 32 -5.060 3.702 8.405 1.00 0.30 C ATOM 445 O VAL A 32 -5.888 4.573 8.150 1.00 0.32 O ATOM 446 CB VAL A 32 -4.596 2.567 6.137 1.00 0.41 C ATOM 447 CG1 VAL A 32 -5.728 2.622 5.122 1.00 0.36 C ATOM 448 CG2 VAL A 32 -3.715 3.797 5.919 1.00 0.54 C ATOM 0 H VAL A 32 -6.718 1.552 6.763 1.00 0.36 H new ATOM 0 HA VAL A 32 -4.257 1.793 8.075 1.00 0.35 H new ATOM 0 HB VAL A 32 -4.034 1.650 5.957 1.00 0.41 H new ATOM 0 HG11 VAL A 32 -5.314 2.740 4.121 1.00 0.36 H new ATOM 0 HG12 VAL A 32 -6.304 1.698 5.169 1.00 0.36 H new ATOM 0 HG13 VAL A 32 -6.378 3.467 5.348 1.00 0.36 H new ATOM 0 HG21 VAL A 32 -3.439 3.865 4.867 1.00 0.54 H new ATOM 0 HG22 VAL A 32 -4.263 4.693 6.209 1.00 0.54 H new ATOM 0 HG23 VAL A 32 -2.814 3.711 6.526 1.00 0.54 H new ATOM 458 N ASN A 33 -4.113 3.847 9.336 1.00 0.30 N ATOM 459 CA ASN A 33 -3.968 5.038 10.159 1.00 0.35 C ATOM 460 C ASN A 33 -2.898 5.919 9.527 1.00 0.37 C ATOM 461 O ASN A 33 -3.148 7.078 9.189 1.00 0.47 O ATOM 462 CB ASN A 33 -3.557 4.634 11.581 1.00 0.39 C ATOM 463 CG ASN A 33 -4.682 3.918 12.323 1.00 0.65 C ATOM 464 OD1 ASN A 33 -5.780 4.447 12.449 1.00 0.93 O ATOM 465 ND2 ASN A 33 -4.417 2.725 12.848 1.00 0.84 N ATOM 0 H ASN A 33 -3.419 3.127 9.537 1.00 0.30 H new ATOM 0 HA ASN A 33 -4.910 5.583 10.217 1.00 0.35 H new ATOM 0 HB2 ASN A 33 -2.683 3.984 11.534 1.00 0.39 H new ATOM 0 HB3 ASN A 33 -3.264 5.523 12.139 1.00 0.39 H new ATOM 0 HD21 ASN A 33 -5.137 2.227 13.371 1.00 0.84 H new ATOM 0 HD22 ASN A 33 -3.494 2.308 12.727 1.00 0.84 H new ATOM 472 N GLN A 34 -1.707 5.343 9.343 1.00 0.32 N ATOM 473 CA GLN A 34 -0.601 5.948 8.625 1.00 0.37 C ATOM 474 C GLN A 34 -0.258 4.978 7.497 1.00 0.27 C ATOM 475 O GLN A 34 -0.197 3.772 7.723 1.00 0.39 O ATOM 476 CB GLN A 34 0.575 6.170 9.595 1.00 0.47 C ATOM 477 CG GLN A 34 1.679 7.065 9.023 1.00 0.59 C ATOM 478 CD GLN A 34 1.237 8.525 9.003 1.00 0.72 C ATOM 479 OE1 GLN A 34 0.745 9.025 7.996 1.00 1.57 O ATOM 480 NE2 GLN A 34 1.380 9.216 10.131 1.00 1.70 N ATOM 0 H GLN A 34 -1.487 4.415 9.704 1.00 0.32 H new ATOM 0 HA GLN A 34 -0.844 6.926 8.210 1.00 0.37 H new ATOM 0 HB2 GLN A 34 0.197 6.616 10.515 1.00 0.47 H new ATOM 0 HB3 GLN A 34 1.003 5.204 9.861 1.00 0.47 H new ATOM 0 HG2 GLN A 34 2.584 6.962 9.622 1.00 0.59 H new ATOM 0 HG3 GLN A 34 1.928 6.742 8.012 1.00 0.59 H new ATOM 0 HE21 GLN A 34 1.793 8.773 10.952 1.00 1.70 H new ATOM 0 HE22 GLN A 34 1.077 10.189 10.175 1.00 1.70 H new ATOM 489 N VAL A 35 -0.085 5.483 6.277 1.00 0.37 N ATOM 490 CA VAL A 35 0.416 4.705 5.155 1.00 0.46 C ATOM 491 C VAL A 35 1.730 5.340 4.728 1.00 0.42 C ATOM 492 O VAL A 35 1.858 6.563 4.735 1.00 0.80 O ATOM 493 CB VAL A 35 -0.620 4.616 4.018 1.00 1.06 C ATOM 494 CG1 VAL A 35 -1.376 5.929 3.785 1.00 1.02 C ATOM 495 CG2 VAL A 35 0.009 4.148 2.701 1.00 2.44 C ATOM 0 H VAL A 35 -0.292 6.454 6.041 1.00 0.37 H new ATOM 0 HA VAL A 35 0.593 3.668 5.441 1.00 0.46 H new ATOM 0 HB VAL A 35 -1.342 3.871 4.353 1.00 1.06 H new ATOM 0 HG11 VAL A 35 -2.090 5.798 2.972 1.00 1.02 H new ATOM 0 HG12 VAL A 35 -1.909 6.208 4.694 1.00 1.02 H new ATOM 0 HG13 VAL A 35 -0.668 6.715 3.523 1.00 1.02 H new ATOM 0 HG21 VAL A 35 -0.758 4.100 1.928 1.00 2.44 H new ATOM 0 HG22 VAL A 35 0.785 4.851 2.399 1.00 2.44 H new ATOM 0 HG23 VAL A 35 0.448 3.160 2.838 1.00 2.44 H new ATOM 505 N GLN A 36 2.704 4.497 4.388 1.00 0.23 N ATOM 506 CA GLN A 36 4.009 4.888 3.910 1.00 0.30 C ATOM 507 C GLN A 36 4.268 4.109 2.626 1.00 0.31 C ATOM 508 O GLN A 36 4.611 2.925 2.659 1.00 0.42 O ATOM 509 CB GLN A 36 5.048 4.562 4.982 1.00 0.39 C ATOM 510 CG GLN A 36 6.456 5.020 4.570 1.00 0.53 C ATOM 511 CD GLN A 36 7.519 4.199 5.283 1.00 0.87 C ATOM 512 OE1 GLN A 36 8.510 3.786 4.685 1.00 2.22 O ATOM 513 NE2 GLN A 36 7.289 3.847 6.540 1.00 0.65 N ATOM 0 H GLN A 36 2.591 3.485 4.444 1.00 0.23 H new ATOM 0 HA GLN A 36 4.067 5.957 3.706 1.00 0.30 H new ATOM 0 HB2 GLN A 36 4.768 5.045 5.918 1.00 0.39 H new ATOM 0 HB3 GLN A 36 5.055 3.488 5.167 1.00 0.39 H new ATOM 0 HG2 GLN A 36 6.575 4.920 3.491 1.00 0.53 H new ATOM 0 HG3 GLN A 36 6.585 6.076 4.808 1.00 0.53 H new ATOM 0 HE21 GLN A 36 6.463 4.197 7.025 1.00 0.65 H new ATOM 0 HE22 GLN A 36 7.938 3.226 7.023 1.00 0.65 H new ATOM 522 N VAL A 37 4.146 4.796 1.495 1.00 0.30 N ATOM 523 CA VAL A 37 4.484 4.261 0.191 1.00 0.32 C ATOM 524 C VAL A 37 5.899 4.736 -0.120 1.00 0.30 C ATOM 525 O VAL A 37 6.159 5.934 -0.167 1.00 0.53 O ATOM 526 CB VAL A 37 3.452 4.715 -0.854 1.00 0.56 C ATOM 527 CG1 VAL A 37 2.104 4.043 -0.582 1.00 1.46 C ATOM 528 CG2 VAL A 37 3.239 6.233 -0.885 1.00 1.59 C ATOM 0 H VAL A 37 3.803 5.756 1.464 1.00 0.30 H new ATOM 0 HA VAL A 37 4.458 3.171 0.173 1.00 0.32 H new ATOM 0 HB VAL A 37 3.855 4.419 -1.823 1.00 0.56 H new ATOM 0 HG11 VAL A 37 1.378 4.370 -1.326 1.00 1.46 H new ATOM 0 HG12 VAL A 37 2.219 2.961 -0.638 1.00 1.46 H new ATOM 0 HG13 VAL A 37 1.754 4.320 0.412 1.00 1.46 H new ATOM 0 HG21 VAL A 37 2.498 6.481 -1.645 1.00 1.59 H new ATOM 0 HG22 VAL A 37 2.886 6.571 0.089 1.00 1.59 H new ATOM 0 HG23 VAL A 37 4.181 6.728 -1.121 1.00 1.59 H new ATOM 538 N LEU A 38 6.837 3.801 -0.275 1.00 0.30 N ATOM 539 CA LEU A 38 8.203 4.100 -0.629 1.00 0.31 C ATOM 540 C LEU A 38 8.421 3.577 -2.047 1.00 0.31 C ATOM 541 O LEU A 38 9.003 2.510 -2.276 1.00 0.34 O ATOM 542 CB LEU A 38 9.134 3.508 0.429 1.00 0.37 C ATOM 543 CG LEU A 38 10.565 4.008 0.223 1.00 0.41 C ATOM 544 CD1 LEU A 38 10.742 5.487 0.588 1.00 0.68 C ATOM 545 CD2 LEU A 38 11.517 3.174 1.083 1.00 0.55 C ATOM 0 H LEU A 38 6.655 2.805 -0.154 1.00 0.30 H new ATOM 0 HA LEU A 38 8.425 5.167 -0.639 1.00 0.31 H new ATOM 0 HB2 LEU A 38 8.786 3.784 1.424 1.00 0.37 H new ATOM 0 HB3 LEU A 38 9.111 2.420 0.374 1.00 0.37 H new ATOM 0 HG LEU A 38 10.790 3.903 -0.838 1.00 0.41 H new ATOM 0 HD11 LEU A 38 11.778 5.782 0.420 1.00 0.68 H new ATOM 0 HD12 LEU A 38 10.086 6.096 -0.034 1.00 0.68 H new ATOM 0 HD13 LEU A 38 10.488 5.636 1.637 1.00 0.68 H new ATOM 0 HD21 LEU A 38 12.539 3.526 0.940 1.00 0.55 H new ATOM 0 HD22 LEU A 38 11.242 3.275 2.133 1.00 0.55 H new ATOM 0 HD23 LEU A 38 11.450 2.127 0.789 1.00 0.55 H new ATOM 557 N PHE A 39 7.916 4.365 -2.997 1.00 0.31 N ATOM 558 CA PHE A 39 8.169 4.183 -4.413 1.00 0.34 C ATOM 559 C PHE A 39 9.682 4.216 -4.673 1.00 0.36 C ATOM 560 O PHE A 39 10.450 4.663 -3.819 1.00 0.35 O ATOM 561 CB PHE A 39 7.433 5.279 -5.198 1.00 0.42 C ATOM 562 CG PHE A 39 8.102 6.631 -5.181 1.00 0.31 C ATOM 563 CD1 PHE A 39 7.778 7.587 -4.201 1.00 1.88 C ATOM 564 CD2 PHE A 39 8.973 6.968 -6.228 1.00 1.65 C ATOM 565 CE1 PHE A 39 8.212 8.912 -4.356 1.00 2.06 C ATOM 566 CE2 PHE A 39 9.371 8.298 -6.409 1.00 1.56 C ATOM 567 CZ PHE A 39 8.953 9.276 -5.495 1.00 0.72 C ATOM 0 H PHE A 39 7.310 5.160 -2.793 1.00 0.31 H new ATOM 0 HA PHE A 39 7.796 3.215 -4.746 1.00 0.34 H new ATOM 0 HB2 PHE A 39 7.327 4.955 -6.233 1.00 0.42 H new ATOM 0 HB3 PHE A 39 6.427 5.383 -4.792 1.00 0.42 H new ATOM 0 HD1 PHE A 39 7.199 7.303 -3.335 1.00 1.88 H new ATOM 0 HD2 PHE A 39 9.337 6.201 -6.895 1.00 1.65 H new ATOM 0 HE1 PHE A 39 7.978 9.650 -3.603 1.00 2.06 H new ATOM 0 HE2 PHE A 39 9.996 8.569 -7.247 1.00 1.56 H new ATOM 0 HZ PHE A 39 9.201 10.313 -5.666 1.00 0.72 H new ATOM 577 N ALA A 40 10.117 3.715 -5.832 1.00 0.43 N ATOM 578 CA ALA A 40 11.513 3.636 -6.266 1.00 0.47 C ATOM 579 C ALA A 40 12.287 2.566 -5.487 1.00 0.52 C ATOM 580 O ALA A 40 12.861 1.662 -6.084 1.00 0.68 O ATOM 581 CB ALA A 40 12.206 5.007 -6.244 1.00 0.48 C ATOM 0 H ALA A 40 9.474 3.335 -6.526 1.00 0.43 H new ATOM 0 HA ALA A 40 11.510 3.320 -7.309 1.00 0.47 H new ATOM 0 HB1 ALA A 40 13.239 4.898 -6.574 1.00 0.48 H new ATOM 0 HB2 ALA A 40 11.682 5.690 -6.912 1.00 0.48 H new ATOM 0 HB3 ALA A 40 12.189 5.407 -5.230 1.00 0.48 H new ATOM 587 N THR A 41 12.262 2.630 -4.152 1.00 0.52 N ATOM 588 CA THR A 41 12.683 1.518 -3.303 1.00 0.49 C ATOM 589 C THR A 41 11.729 0.333 -3.480 1.00 0.52 C ATOM 590 O THR A 41 12.111 -0.806 -3.226 1.00 1.14 O ATOM 591 CB THR A 41 12.756 1.962 -1.838 1.00 0.49 C ATOM 592 OG1 THR A 41 13.448 3.191 -1.724 1.00 1.06 O ATOM 593 CG2 THR A 41 13.487 0.937 -0.964 1.00 0.90 C ATOM 0 H THR A 41 11.950 3.452 -3.634 1.00 0.52 H new ATOM 0 HA THR A 41 13.681 1.198 -3.603 1.00 0.49 H new ATOM 0 HB THR A 41 11.726 2.063 -1.496 1.00 0.49 H new ATOM 0 HG1 THR A 41 13.898 3.233 -0.855 1.00 1.06 H new ATOM 0 HG21 THR A 41 13.516 1.292 0.066 1.00 0.90 H new ATOM 0 HG22 THR A 41 12.961 -0.017 -1.005 1.00 0.90 H new ATOM 0 HG23 THR A 41 14.505 0.806 -1.331 1.00 0.90 H new ATOM 601 N GLU A 42 10.500 0.609 -3.928 1.00 0.66 N ATOM 602 CA GLU A 42 9.579 -0.382 -4.455 1.00 0.66 C ATOM 603 C GLU A 42 8.941 -1.183 -3.315 1.00 0.48 C ATOM 604 O GLU A 42 8.762 -2.400 -3.409 1.00 0.64 O ATOM 605 CB GLU A 42 10.287 -1.219 -5.542 1.00 1.01 C ATOM 606 CG GLU A 42 9.305 -1.970 -6.439 1.00 1.55 C ATOM 607 CD GLU A 42 9.976 -2.483 -7.702 1.00 2.47 C ATOM 608 OE1 GLU A 42 10.800 -3.415 -7.582 1.00 2.80 O ATOM 609 OE2 GLU A 42 9.619 -1.940 -8.770 1.00 3.78 O ATOM 0 H GLU A 42 10.116 1.554 -3.931 1.00 0.66 H new ATOM 0 HA GLU A 42 8.736 0.094 -4.957 1.00 0.66 H new ATOM 0 HB2 GLU A 42 10.905 -0.563 -6.155 1.00 1.01 H new ATOM 0 HB3 GLU A 42 10.957 -1.934 -5.065 1.00 1.01 H new ATOM 0 HG2 GLU A 42 8.877 -2.808 -5.888 1.00 1.55 H new ATOM 0 HG3 GLU A 42 8.480 -1.310 -6.708 1.00 1.55 H new ATOM 616 N LYS A 43 8.532 -0.487 -2.246 1.00 0.29 N ATOM 617 CA LYS A 43 7.747 -1.105 -1.192 1.00 0.30 C ATOM 618 C LYS A 43 6.695 -0.153 -0.651 1.00 0.33 C ATOM 619 O LYS A 43 6.829 1.066 -0.763 1.00 0.54 O ATOM 620 CB LYS A 43 8.657 -1.707 -0.111 1.00 0.42 C ATOM 621 CG LYS A 43 9.339 -0.737 0.862 1.00 1.03 C ATOM 622 CD LYS A 43 8.422 -0.100 1.916 1.00 0.82 C ATOM 623 CE LYS A 43 9.256 0.558 3.017 1.00 1.64 C ATOM 624 NZ LYS A 43 8.390 1.318 3.934 1.00 2.96 N ATOM 0 H LYS A 43 8.736 0.501 -2.097 1.00 0.29 H new ATOM 0 HA LYS A 43 7.190 -1.941 -1.615 1.00 0.30 H new ATOM 0 HB2 LYS A 43 8.064 -2.409 0.475 1.00 0.42 H new ATOM 0 HB3 LYS A 43 9.435 -2.285 -0.610 1.00 0.42 H new ATOM 0 HG2 LYS A 43 10.139 -1.269 1.377 1.00 1.03 H new ATOM 0 HG3 LYS A 43 9.807 0.060 0.284 1.00 1.03 H new ATOM 0 HD2 LYS A 43 7.777 0.642 1.446 1.00 0.82 H new ATOM 0 HD3 LYS A 43 7.771 -0.860 2.348 1.00 0.82 H new ATOM 0 HE2 LYS A 43 9.803 -0.204 3.572 1.00 1.64 H new ATOM 0 HE3 LYS A 43 9.997 1.222 2.572 1.00 1.64 H new ATOM 0 HZ1 LYS A 43 8.735 2.296 4.007 1.00 2.96 H new ATOM 0 HZ2 LYS A 43 7.416 1.321 3.569 1.00 2.96 H new ATOM 0 HZ3 LYS A 43 8.406 0.874 4.875 1.00 2.96 H new ATOM 638 N LEU A 44 5.658 -0.709 -0.031 1.00 0.22 N ATOM 639 CA LEU A 44 4.620 -0.004 0.664 1.00 0.21 C ATOM 640 C LEU A 44 4.588 -0.630 2.058 1.00 0.16 C ATOM 641 O LEU A 44 4.903 -1.808 2.211 1.00 0.27 O ATOM 642 CB LEU A 44 3.357 -0.176 -0.191 1.00 0.29 C ATOM 643 CG LEU A 44 2.122 -0.678 0.514 1.00 0.48 C ATOM 644 CD1 LEU A 44 1.697 0.291 1.602 1.00 0.59 C ATOM 645 CD2 LEU A 44 0.999 -0.900 -0.474 1.00 0.74 C ATOM 0 H LEU A 44 5.525 -1.720 -0.007 1.00 0.22 H new ATOM 0 HA LEU A 44 4.747 1.070 0.801 1.00 0.21 H new ATOM 0 HB2 LEU A 44 3.121 0.786 -0.646 1.00 0.29 H new ATOM 0 HB3 LEU A 44 3.588 -0.865 -1.004 1.00 0.29 H new ATOM 0 HG LEU A 44 2.358 -1.634 0.982 1.00 0.48 H new ATOM 0 HD11 LEU A 44 0.804 -0.089 2.099 1.00 0.59 H new ATOM 0 HD12 LEU A 44 2.501 0.396 2.330 1.00 0.59 H new ATOM 0 HD13 LEU A 44 1.480 1.263 1.159 1.00 0.59 H new ATOM 0 HD21 LEU A 44 0.117 -1.262 0.054 1.00 0.74 H new ATOM 0 HD22 LEU A 44 0.763 0.040 -0.974 1.00 0.74 H new ATOM 0 HD23 LEU A 44 1.307 -1.638 -1.215 1.00 0.74 H new ATOM 657 N VAL A 45 4.273 0.173 3.072 1.00 0.20 N ATOM 658 CA VAL A 45 4.107 -0.155 4.457 1.00 0.19 C ATOM 659 C VAL A 45 2.857 0.583 4.923 1.00 0.16 C ATOM 660 O VAL A 45 2.583 1.696 4.473 1.00 0.21 O ATOM 661 CB VAL A 45 5.368 0.242 5.232 1.00 0.27 C ATOM 662 CG1 VAL A 45 5.070 0.693 6.660 1.00 0.30 C ATOM 663 CG2 VAL A 45 6.285 -0.979 5.238 1.00 0.38 C ATOM 0 H VAL A 45 4.115 1.168 2.910 1.00 0.20 H new ATOM 0 HA VAL A 45 3.976 -1.224 4.628 1.00 0.19 H new ATOM 0 HB VAL A 45 5.836 1.098 4.746 1.00 0.27 H new ATOM 0 HG11 VAL A 45 6.001 0.961 7.159 1.00 0.30 H new ATOM 0 HG12 VAL A 45 4.408 1.559 6.637 1.00 0.30 H new ATOM 0 HG13 VAL A 45 4.588 -0.119 7.205 1.00 0.30 H new ATOM 0 HG21 VAL A 45 7.200 -0.744 5.781 1.00 0.38 H new ATOM 0 HG22 VAL A 45 5.778 -1.812 5.725 1.00 0.38 H new ATOM 0 HG23 VAL A 45 6.532 -1.254 4.212 1.00 0.38 H new ATOM 673 N VAL A 46 2.088 -0.073 5.781 1.00 0.23 N ATOM 674 CA VAL A 46 0.777 0.341 6.228 1.00 0.18 C ATOM 675 C VAL A 46 0.717 0.105 7.728 1.00 0.17 C ATOM 676 O VAL A 46 0.916 -1.024 8.172 1.00 0.29 O ATOM 677 CB VAL A 46 -0.237 -0.511 5.455 1.00 0.38 C ATOM 678 CG1 VAL A 46 -1.539 -0.809 6.187 1.00 0.78 C ATOM 679 CG2 VAL A 46 -0.595 0.186 4.145 1.00 0.30 C ATOM 0 H VAL A 46 2.383 -0.954 6.203 1.00 0.23 H new ATOM 0 HA VAL A 46 0.560 1.393 6.045 1.00 0.18 H new ATOM 0 HB VAL A 46 0.264 -1.467 5.307 1.00 0.38 H new ATOM 0 HG11 VAL A 46 -2.183 -1.417 5.551 1.00 0.78 H new ATOM 0 HG12 VAL A 46 -1.323 -1.350 7.108 1.00 0.78 H new ATOM 0 HG13 VAL A 46 -2.044 0.127 6.426 1.00 0.78 H new ATOM 0 HG21 VAL A 46 -1.316 -0.420 3.596 1.00 0.30 H new ATOM 0 HG22 VAL A 46 -1.030 1.162 4.359 1.00 0.30 H new ATOM 0 HG23 VAL A 46 0.305 0.314 3.543 1.00 0.30 H new ATOM 689 N ASP A 47 0.427 1.158 8.490 1.00 0.16 N ATOM 690 CA ASP A 47 0.220 1.085 9.921 1.00 0.23 C ATOM 691 C ASP A 47 -1.289 1.079 10.102 1.00 0.19 C ATOM 692 O ASP A 47 -1.943 2.120 9.985 1.00 0.25 O ATOM 693 CB ASP A 47 0.886 2.273 10.620 1.00 0.36 C ATOM 694 CG ASP A 47 2.398 2.298 10.421 1.00 1.09 C ATOM 695 OD1 ASP A 47 3.021 1.238 10.648 1.00 1.70 O ATOM 696 OD2 ASP A 47 2.908 3.375 10.044 1.00 2.31 O ATOM 0 H ASP A 47 0.329 2.101 8.115 1.00 0.16 H new ATOM 0 HA ASP A 47 0.668 0.197 10.367 1.00 0.23 H new ATOM 0 HB2 ASP A 47 0.458 3.200 10.240 1.00 0.36 H new ATOM 0 HB3 ASP A 47 0.664 2.233 11.686 1.00 0.36 H new ATOM 701 N ALA A 48 -1.848 -0.114 10.310 1.00 0.23 N ATOM 702 CA ALA A 48 -3.282 -0.325 10.405 1.00 0.28 C ATOM 703 C ALA A 48 -3.560 -1.118 11.670 1.00 0.45 C ATOM 704 O ALA A 48 -3.183 -2.284 11.775 1.00 0.70 O ATOM 705 CB ALA A 48 -3.782 -1.059 9.166 1.00 0.34 C ATOM 0 H ALA A 48 -1.304 -0.970 10.418 1.00 0.23 H new ATOM 0 HA ALA A 48 -3.810 0.627 10.455 1.00 0.28 H new ATOM 0 HB1 ALA A 48 -4.858 -1.214 9.244 1.00 0.34 H new ATOM 0 HB2 ALA A 48 -3.564 -0.465 8.279 1.00 0.34 H new ATOM 0 HB3 ALA A 48 -3.281 -2.024 9.088 1.00 0.34 H new ATOM 711 N ASP A 49 -4.228 -0.480 12.627 1.00 0.59 N ATOM 712 CA ASP A 49 -4.450 -1.044 13.957 1.00 0.80 C ATOM 713 C ASP A 49 -5.802 -1.747 13.966 1.00 0.88 C ATOM 714 O ASP A 49 -6.726 -1.383 14.688 1.00 0.92 O ATOM 715 CB ASP A 49 -4.356 0.051 15.025 1.00 0.86 C ATOM 716 CG ASP A 49 -4.404 -0.529 16.437 1.00 1.83 C ATOM 717 OD1 ASP A 49 -4.049 -1.720 16.584 1.00 2.98 O ATOM 718 OD2 ASP A 49 -4.738 0.247 17.356 1.00 3.14 O ATOM 0 H ASP A 49 -4.633 0.448 12.502 1.00 0.59 H new ATOM 0 HA ASP A 49 -3.678 -1.776 14.194 1.00 0.80 H new ATOM 0 HB2 ASP A 49 -3.429 0.609 14.893 1.00 0.86 H new ATOM 0 HB3 ASP A 49 -5.175 0.758 14.894 1.00 0.86 H new ATOM 723 N ASN A 50 -5.925 -2.714 13.059 1.00 0.89 N ATOM 724 CA ASN A 50 -7.139 -3.427 12.704 1.00 0.79 C ATOM 725 C ASN A 50 -6.724 -4.278 11.500 1.00 0.73 C ATOM 726 O ASN A 50 -5.612 -4.819 11.517 1.00 1.48 O ATOM 727 CB ASN A 50 -8.366 -2.498 12.512 1.00 0.96 C ATOM 728 CG ASN A 50 -8.095 -1.149 11.844 1.00 2.52 C ATOM 729 OD1 ASN A 50 -8.837 -0.197 12.058 1.00 3.27 O ATOM 730 ND2 ASN A 50 -7.039 -1.028 11.043 1.00 3.63 N ATOM 0 H ASN A 50 -5.122 -3.038 12.519 1.00 0.89 H new ATOM 0 HA ASN A 50 -7.517 -4.067 13.501 1.00 0.79 H new ATOM 0 HB2 ASN A 50 -9.109 -3.031 11.919 1.00 0.96 H new ATOM 0 HB3 ASN A 50 -8.811 -2.313 13.489 1.00 0.96 H new ATOM 0 HD21 ASN A 50 -6.837 -0.133 10.597 1.00 3.63 H new ATOM 0 HD22 ASN A 50 -6.431 -1.830 10.875 1.00 3.63 H new ATOM 737 N ASP A 51 -7.543 -4.397 10.450 1.00 0.39 N ATOM 738 CA ASP A 51 -7.367 -5.499 9.518 1.00 0.54 C ATOM 739 C ASP A 51 -7.814 -5.136 8.109 1.00 0.49 C ATOM 740 O ASP A 51 -9.005 -5.113 7.798 1.00 0.80 O ATOM 741 CB ASP A 51 -8.159 -6.688 10.046 1.00 0.88 C ATOM 742 CG ASP A 51 -7.661 -8.018 9.478 1.00 1.29 C ATOM 743 OD1 ASP A 51 -6.646 -8.014 8.738 1.00 1.40 O ATOM 744 OD2 ASP A 51 -8.256 -9.049 9.846 1.00 2.53 O ATOM 0 H ASP A 51 -8.311 -3.761 10.233 1.00 0.39 H new ATOM 0 HA ASP A 51 -6.307 -5.744 9.448 1.00 0.54 H new ATOM 0 HB2 ASP A 51 -8.091 -6.712 11.134 1.00 0.88 H new ATOM 0 HB3 ASP A 51 -9.212 -6.560 9.795 1.00 0.88 H new ATOM 749 N ILE A 52 -6.841 -4.798 7.268 1.00 0.44 N ATOM 750 CA ILE A 52 -7.089 -4.272 5.936 1.00 0.38 C ATOM 751 C ILE A 52 -6.043 -4.693 4.917 1.00 0.39 C ATOM 752 O ILE A 52 -6.113 -4.247 3.785 1.00 0.33 O ATOM 753 CB ILE A 52 -7.156 -2.741 5.988 1.00 0.41 C ATOM 754 CG1 ILE A 52 -5.930 -2.109 6.660 1.00 0.46 C ATOM 755 CG2 ILE A 52 -8.395 -2.283 6.740 1.00 0.53 C ATOM 756 CD1 ILE A 52 -4.785 -1.888 5.687 1.00 0.42 C ATOM 0 H ILE A 52 -5.851 -4.883 7.497 1.00 0.44 H new ATOM 0 HA ILE A 52 -8.040 -4.692 5.609 1.00 0.38 H new ATOM 0 HB ILE A 52 -7.188 -2.411 4.950 1.00 0.41 H new ATOM 0 HG12 ILE A 52 -6.214 -1.155 7.105 1.00 0.46 H new ATOM 0 HG13 ILE A 52 -5.593 -2.752 7.473 1.00 0.46 H new ATOM 0 HG21 ILE A 52 -8.423 -1.194 6.765 1.00 0.53 H new ATOM 0 HG22 ILE A 52 -9.286 -2.658 6.236 1.00 0.53 H new ATOM 0 HG23 ILE A 52 -8.366 -2.669 7.759 1.00 0.53 H new ATOM 0 HD11 ILE A 52 -3.942 -1.439 6.213 1.00 0.42 H new ATOM 0 HD12 ILE A 52 -4.479 -2.844 5.262 1.00 0.42 H new ATOM 0 HD13 ILE A 52 -5.110 -1.222 4.887 1.00 0.42 H new ATOM 768 N ARG A 53 -5.052 -5.504 5.267 1.00 0.56 N ATOM 769 CA ARG A 53 -3.934 -5.750 4.347 1.00 0.45 C ATOM 770 C ARG A 53 -4.426 -6.315 3.032 1.00 0.33 C ATOM 771 O ARG A 53 -4.032 -5.838 1.982 1.00 0.32 O ATOM 772 CB ARG A 53 -2.846 -6.683 4.871 1.00 0.49 C ATOM 773 CG ARG A 53 -2.897 -6.835 6.364 1.00 0.63 C ATOM 774 CD ARG A 53 -1.799 -7.794 6.800 1.00 1.03 C ATOM 775 NE ARG A 53 -2.211 -8.480 8.038 1.00 1.52 N ATOM 776 CZ ARG A 53 -3.439 -8.992 8.238 1.00 1.74 C ATOM 777 NH1 ARG A 53 -3.981 -9.783 7.307 1.00 2.55 N ATOM 778 NH2 ARG A 53 -4.153 -8.613 9.300 1.00 2.41 N ATOM 0 H ARG A 53 -4.993 -5.995 6.159 1.00 0.56 H new ATOM 0 HA ARG A 53 -3.484 -4.765 4.225 1.00 0.45 H new ATOM 0 HB2 ARG A 53 -2.954 -7.662 4.404 1.00 0.49 H new ATOM 0 HB3 ARG A 53 -1.869 -6.298 4.580 1.00 0.49 H new ATOM 0 HG2 ARG A 53 -2.765 -5.866 6.846 1.00 0.63 H new ATOM 0 HG3 ARG A 53 -3.872 -7.214 6.671 1.00 0.63 H new ATOM 0 HD2 ARG A 53 -1.605 -8.524 6.014 1.00 1.03 H new ATOM 0 HD3 ARG A 53 -0.870 -7.249 6.965 1.00 1.03 H new ATOM 0 HE ARG A 53 -1.525 -8.572 8.787 1.00 1.52 H new ATOM 0 HH11 ARG A 53 -3.464 -9.994 6.453 1.00 2.55 H new ATOM 0 HH12 ARG A 53 -4.911 -10.176 7.450 1.00 2.55 H new ATOM 0 HH21 ARG A 53 -3.768 -7.936 9.959 1.00 2.41 H new ATOM 0 HH22 ARG A 53 -5.084 -9.000 9.453 1.00 2.41 H new ATOM 792 N ALA A 54 -5.301 -7.317 3.084 1.00 0.36 N ATOM 793 CA ALA A 54 -5.871 -7.862 1.866 1.00 0.38 C ATOM 794 C ALA A 54 -6.717 -6.799 1.154 1.00 0.33 C ATOM 795 O ALA A 54 -6.761 -6.772 -0.074 1.00 0.51 O ATOM 796 CB ALA A 54 -6.651 -9.133 2.191 1.00 0.58 C ATOM 0 H ALA A 54 -5.623 -7.759 3.945 1.00 0.36 H new ATOM 0 HA ALA A 54 -5.079 -8.141 1.171 1.00 0.38 H new ATOM 0 HB1 ALA A 54 -7.079 -9.542 1.275 1.00 0.58 H new ATOM 0 HB2 ALA A 54 -5.980 -9.867 2.637 1.00 0.58 H new ATOM 0 HB3 ALA A 54 -7.452 -8.899 2.893 1.00 0.58 H new ATOM 802 N GLN A 55 -7.347 -5.886 1.909 1.00 0.25 N ATOM 803 CA GLN A 55 -8.012 -4.733 1.322 1.00 0.24 C ATOM 804 C GLN A 55 -7.007 -3.873 0.562 1.00 0.23 C ATOM 805 O GLN A 55 -7.255 -3.520 -0.583 1.00 0.25 O ATOM 806 CB GLN A 55 -8.830 -3.916 2.330 1.00 0.32 C ATOM 807 CG GLN A 55 -9.878 -4.773 3.049 1.00 1.15 C ATOM 808 CD GLN A 55 -10.813 -3.906 3.887 1.00 1.38 C ATOM 809 OE1 GLN A 55 -11.336 -2.905 3.407 1.00 2.70 O ATOM 810 NE2 GLN A 55 -11.034 -4.262 5.146 1.00 1.24 N ATOM 0 H GLN A 55 -7.405 -5.932 2.926 1.00 0.25 H new ATOM 0 HA GLN A 55 -8.746 -5.116 0.613 1.00 0.24 H new ATOM 0 HB2 GLN A 55 -8.159 -3.471 3.065 1.00 0.32 H new ATOM 0 HB3 GLN A 55 -9.326 -3.095 1.813 1.00 0.32 H new ATOM 0 HG2 GLN A 55 -10.457 -5.336 2.317 1.00 1.15 H new ATOM 0 HG3 GLN A 55 -9.380 -5.501 3.689 1.00 1.15 H new ATOM 0 HE21 GLN A 55 -10.589 -5.098 5.525 1.00 1.24 H new ATOM 0 HE22 GLN A 55 -11.649 -3.700 5.735 1.00 1.24 H new ATOM 819 N VAL A 56 -5.865 -3.561 1.172 1.00 0.23 N ATOM 820 CA VAL A 56 -4.797 -2.805 0.547 1.00 0.25 C ATOM 821 C VAL A 56 -4.315 -3.522 -0.708 1.00 0.28 C ATOM 822 O VAL A 56 -4.254 -2.936 -1.781 1.00 0.30 O ATOM 823 CB VAL A 56 -3.647 -2.555 1.505 1.00 0.31 C ATOM 824 CG1 VAL A 56 -2.403 -2.079 0.739 1.00 0.36 C ATOM 825 CG2 VAL A 56 -4.057 -1.457 2.472 1.00 0.40 C ATOM 0 H VAL A 56 -5.658 -3.835 2.133 1.00 0.23 H new ATOM 0 HA VAL A 56 -5.195 -1.830 0.266 1.00 0.25 H new ATOM 0 HB VAL A 56 -3.414 -3.481 2.031 1.00 0.31 H new ATOM 0 HG11 VAL A 56 -1.588 -1.904 1.441 1.00 0.36 H new ATOM 0 HG12 VAL A 56 -2.105 -2.842 0.019 1.00 0.36 H new ATOM 0 HG13 VAL A 56 -2.632 -1.153 0.212 1.00 0.36 H new ATOM 0 HG21 VAL A 56 -3.242 -1.263 3.169 1.00 0.40 H new ATOM 0 HG22 VAL A 56 -4.282 -0.547 1.915 1.00 0.40 H new ATOM 0 HG23 VAL A 56 -4.941 -1.772 3.026 1.00 0.40 H new ATOM 835 N GLU A 57 -3.943 -4.788 -0.548 1.00 0.33 N ATOM 836 CA GLU A 57 -3.342 -5.610 -1.573 1.00 0.46 C ATOM 837 C GLU A 57 -4.291 -5.631 -2.776 1.00 0.43 C ATOM 838 O GLU A 57 -3.916 -5.273 -3.892 1.00 0.50 O ATOM 839 CB GLU A 57 -3.042 -7.006 -0.984 1.00 0.58 C ATOM 840 CG GLU A 57 -1.914 -7.743 -1.708 1.00 2.12 C ATOM 841 CD GLU A 57 -1.647 -9.163 -1.217 1.00 2.38 C ATOM 842 OE1 GLU A 57 -2.546 -9.717 -0.549 1.00 2.45 O ATOM 843 OE2 GLU A 57 -0.545 -9.667 -1.539 1.00 3.44 O ATOM 0 H GLU A 57 -4.060 -5.282 0.337 1.00 0.33 H new ATOM 0 HA GLU A 57 -2.387 -5.214 -1.920 1.00 0.46 H new ATOM 0 HB2 GLU A 57 -2.779 -6.899 0.068 1.00 0.58 H new ATOM 0 HB3 GLU A 57 -3.947 -7.612 -1.026 1.00 0.58 H new ATOM 0 HG2 GLU A 57 -2.150 -7.782 -2.771 1.00 2.12 H new ATOM 0 HG3 GLU A 57 -0.997 -7.162 -1.606 1.00 2.12 H new ATOM 850 N SER A 58 -5.559 -5.959 -2.510 1.00 0.40 N ATOM 851 CA SER A 58 -6.636 -5.913 -3.486 1.00 0.44 C ATOM 852 C SER A 58 -6.804 -4.504 -4.070 1.00 0.39 C ATOM 853 O SER A 58 -6.981 -4.349 -5.274 1.00 0.43 O ATOM 854 CB SER A 58 -7.930 -6.406 -2.826 1.00 0.54 C ATOM 855 OG SER A 58 -8.955 -6.567 -3.785 1.00 0.84 O ATOM 0 H SER A 58 -5.865 -6.270 -1.588 1.00 0.40 H new ATOM 0 HA SER A 58 -6.390 -6.568 -4.322 1.00 0.44 H new ATOM 0 HB2 SER A 58 -7.747 -7.354 -2.321 1.00 0.54 H new ATOM 0 HB3 SER A 58 -8.248 -5.695 -2.064 1.00 0.54 H new ATOM 0 HG SER A 58 -9.770 -6.883 -3.343 1.00 0.84 H new ATOM 861 N ALA A 59 -6.755 -3.462 -3.236 1.00 0.35 N ATOM 862 CA ALA A 59 -6.992 -2.088 -3.655 1.00 0.39 C ATOM 863 C ALA A 59 -5.928 -1.657 -4.655 1.00 0.36 C ATOM 864 O ALA A 59 -6.244 -1.110 -5.706 1.00 0.39 O ATOM 865 CB ALA A 59 -7.010 -1.139 -2.455 1.00 0.42 C ATOM 0 H ALA A 59 -6.547 -3.555 -2.242 1.00 0.35 H new ATOM 0 HA ALA A 59 -7.970 -2.041 -4.133 1.00 0.39 H new ATOM 0 HB1 ALA A 59 -7.189 -0.120 -2.799 1.00 0.42 H new ATOM 0 HB2 ALA A 59 -7.804 -1.435 -1.769 1.00 0.42 H new ATOM 0 HB3 ALA A 59 -6.050 -1.185 -1.941 1.00 0.42 H new ATOM 871 N LEU A 60 -4.664 -1.910 -4.335 1.00 0.31 N ATOM 872 CA LEU A 60 -3.545 -1.659 -5.223 1.00 0.29 C ATOM 873 C LEU A 60 -3.677 -2.512 -6.479 1.00 0.32 C ATOM 874 O LEU A 60 -3.536 -2.007 -7.595 1.00 0.34 O ATOM 875 CB LEU A 60 -2.239 -1.960 -4.482 1.00 0.29 C ATOM 876 CG LEU A 60 -1.630 -0.664 -3.934 1.00 0.35 C ATOM 877 CD1 LEU A 60 -2.507 -0.013 -2.873 1.00 0.40 C ATOM 878 CD2 LEU A 60 -0.339 -0.899 -3.180 1.00 0.55 C ATOM 0 H LEU A 60 -4.388 -2.302 -3.435 1.00 0.31 H new ATOM 0 HA LEU A 60 -3.539 -0.613 -5.529 1.00 0.29 H new ATOM 0 HB2 LEU A 60 -2.428 -2.656 -3.664 1.00 0.29 H new ATOM 0 HB3 LEU A 60 -1.533 -2.445 -5.156 1.00 0.29 H new ATOM 0 HG LEU A 60 -1.502 -0.053 -4.827 1.00 0.35 H new ATOM 0 HD11 LEU A 60 -2.031 0.901 -2.518 1.00 0.40 H new ATOM 0 HD12 LEU A 60 -3.479 0.228 -3.302 1.00 0.40 H new ATOM 0 HD13 LEU A 60 -2.640 -0.701 -2.038 1.00 0.40 H new ATOM 0 HD21 LEU A 60 0.047 0.053 -2.815 1.00 0.55 H new ATOM 0 HD22 LEU A 60 -0.526 -1.563 -2.336 1.00 0.55 H new ATOM 0 HD23 LEU A 60 0.393 -1.356 -3.846 1.00 0.55 H new ATOM 890 N GLN A 61 -3.953 -3.805 -6.309 1.00 0.39 N ATOM 891 CA GLN A 61 -4.091 -4.698 -7.443 1.00 0.48 C ATOM 892 C GLN A 61 -5.158 -4.173 -8.412 1.00 0.52 C ATOM 893 O GLN A 61 -4.920 -4.111 -9.615 1.00 0.58 O ATOM 894 CB GLN A 61 -4.350 -6.118 -6.934 1.00 0.54 C ATOM 895 CG GLN A 61 -4.473 -7.111 -8.090 1.00 0.62 C ATOM 896 CD GLN A 61 -4.313 -8.549 -7.611 1.00 1.15 C ATOM 897 OE1 GLN A 61 -5.280 -9.297 -7.522 1.00 1.57 O ATOM 898 NE2 GLN A 61 -3.083 -8.952 -7.300 1.00 1.47 N ATOM 0 H GLN A 61 -4.083 -4.249 -5.400 1.00 0.39 H new ATOM 0 HA GLN A 61 -3.168 -4.734 -8.022 1.00 0.48 H new ATOM 0 HB2 GLN A 61 -3.538 -6.424 -6.275 1.00 0.54 H new ATOM 0 HB3 GLN A 61 -5.264 -6.132 -6.341 1.00 0.54 H new ATOM 0 HG2 GLN A 61 -5.444 -6.993 -8.571 1.00 0.62 H new ATOM 0 HG3 GLN A 61 -3.716 -6.891 -8.842 1.00 0.62 H new ATOM 0 HE21 GLN A 61 -2.298 -8.306 -7.384 1.00 1.47 H new ATOM 0 HE22 GLN A 61 -2.925 -9.907 -6.977 1.00 1.47 H new ATOM 907 N LYS A 62 -6.313 -3.754 -7.889 1.00 0.52 N ATOM 908 CA LYS A 62 -7.420 -3.278 -8.712 1.00 0.68 C ATOM 909 C LYS A 62 -7.205 -1.835 -9.186 1.00 0.63 C ATOM 910 O LYS A 62 -7.703 -1.457 -10.243 1.00 0.76 O ATOM 911 CB LYS A 62 -8.776 -3.530 -8.025 1.00 1.17 C ATOM 912 CG LYS A 62 -9.159 -2.562 -6.897 1.00 1.68 C ATOM 913 CD LYS A 62 -9.990 -1.370 -7.400 1.00 2.74 C ATOM 914 CE LYS A 62 -10.403 -0.464 -6.229 1.00 4.42 C ATOM 915 NZ LYS A 62 -11.244 0.669 -6.673 1.00 5.50 N ATOM 0 H LYS A 62 -6.504 -3.736 -6.887 1.00 0.52 H new ATOM 0 HA LYS A 62 -7.445 -3.868 -9.628 1.00 0.68 H new ATOM 0 HB2 LYS A 62 -9.556 -3.495 -8.785 1.00 1.17 H new ATOM 0 HB3 LYS A 62 -8.771 -4.542 -7.620 1.00 1.17 H new ATOM 0 HG2 LYS A 62 -9.725 -3.101 -6.137 1.00 1.68 H new ATOM 0 HG3 LYS A 62 -8.253 -2.192 -6.417 1.00 1.68 H new ATOM 0 HD2 LYS A 62 -9.411 -0.796 -8.124 1.00 2.74 H new ATOM 0 HD3 LYS A 62 -10.878 -1.732 -7.917 1.00 2.74 H new ATOM 0 HE2 LYS A 62 -10.948 -1.052 -5.491 1.00 4.42 H new ATOM 0 HE3 LYS A 62 -9.510 -0.081 -5.735 1.00 4.42 H new ATOM 0 HZ1 LYS A 62 -11.500 1.254 -5.852 1.00 5.50 H new ATOM 0 HZ2 LYS A 62 -10.716 1.246 -7.358 1.00 5.50 H new ATOM 0 HZ3 LYS A 62 -12.109 0.305 -7.121 1.00 5.50 H new ATOM 929 N ALA A 63 -6.483 -1.015 -8.414 1.00 0.63 N ATOM 930 CA ALA A 63 -6.084 0.325 -8.833 1.00 0.74 C ATOM 931 C ALA A 63 -5.167 0.236 -10.051 1.00 0.70 C ATOM 932 O ALA A 63 -5.303 1.029 -10.981 1.00 0.88 O ATOM 933 CB ALA A 63 -5.395 1.072 -7.687 1.00 0.76 C ATOM 0 H ALA A 63 -6.160 -1.267 -7.480 1.00 0.63 H new ATOM 0 HA ALA A 63 -6.977 0.887 -9.106 1.00 0.74 H new ATOM 0 HB1 ALA A 63 -5.107 2.068 -8.023 1.00 0.76 H new ATOM 0 HB2 ALA A 63 -6.081 1.158 -6.844 1.00 0.76 H new ATOM 0 HB3 ALA A 63 -4.506 0.522 -7.377 1.00 0.76 H new ATOM 939 N GLY A 64 -4.248 -0.735 -10.040 1.00 0.55 N ATOM 940 CA GLY A 64 -3.463 -1.119 -11.204 1.00 0.59 C ATOM 941 C GLY A 64 -1.989 -1.317 -10.868 1.00 0.56 C ATOM 942 O GLY A 64 -1.124 -0.842 -11.601 1.00 0.77 O ATOM 0 H GLY A 64 -4.030 -1.281 -9.206 1.00 0.55 H new ATOM 0 HA2 GLY A 64 -3.865 -2.042 -11.622 1.00 0.59 H new ATOM 0 HA3 GLY A 64 -3.558 -0.352 -11.973 1.00 0.59 H new ATOM 946 N TYR A 65 -1.696 -2.023 -9.774 1.00 0.37 N ATOM 947 CA TYR A 65 -0.359 -2.444 -9.404 1.00 0.32 C ATOM 948 C TYR A 65 -0.314 -3.971 -9.364 1.00 0.43 C ATOM 949 O TYR A 65 -1.301 -4.643 -9.663 1.00 0.80 O ATOM 950 CB TYR A 65 -0.024 -1.810 -8.054 1.00 0.27 C ATOM 951 CG TYR A 65 0.007 -0.294 -8.110 1.00 0.36 C ATOM 952 CD1 TYR A 65 1.099 0.355 -8.714 1.00 1.55 C ATOM 953 CD2 TYR A 65 -1.140 0.445 -7.768 1.00 1.91 C ATOM 954 CE1 TYR A 65 1.039 1.734 -8.984 1.00 1.55 C ATOM 955 CE2 TYR A 65 -1.214 1.813 -8.072 1.00 1.97 C ATOM 956 CZ TYR A 65 -0.126 2.459 -8.678 1.00 0.60 C ATOM 957 OH TYR A 65 -0.205 3.790 -8.961 1.00 0.78 O ATOM 0 H TYR A 65 -2.408 -2.322 -9.108 1.00 0.37 H new ATOM 0 HA TYR A 65 0.387 -2.118 -10.129 1.00 0.32 H new ATOM 0 HB2 TYR A 65 -0.760 -2.127 -7.316 1.00 0.27 H new ATOM 0 HB3 TYR A 65 0.945 -2.177 -7.716 1.00 0.27 H new ATOM 0 HD1 TYR A 65 1.985 -0.207 -8.971 1.00 1.55 H new ATOM 0 HD2 TYR A 65 -1.966 -0.042 -7.270 1.00 1.91 H new ATOM 0 HE1 TYR A 65 1.887 2.236 -9.426 1.00 1.55 H new ATOM 0 HE2 TYR A 65 -2.110 2.369 -7.839 1.00 1.97 H new ATOM 0 HH TYR A 65 -1.081 4.132 -8.684 1.00 0.78 H new ATOM 967 N SER A 66 0.836 -4.546 -9.017 1.00 0.38 N ATOM 968 CA SER A 66 0.967 -5.992 -8.885 1.00 0.50 C ATOM 969 C SER A 66 1.930 -6.318 -7.752 1.00 0.49 C ATOM 970 O SER A 66 3.006 -6.865 -7.982 1.00 0.79 O ATOM 971 CB SER A 66 1.387 -6.602 -10.226 1.00 0.82 C ATOM 972 OG SER A 66 0.433 -6.273 -11.220 1.00 1.84 O ATOM 0 H SER A 66 1.693 -4.028 -8.822 1.00 0.38 H new ATOM 0 HA SER A 66 0.007 -6.438 -8.625 1.00 0.50 H new ATOM 0 HB2 SER A 66 2.370 -6.229 -10.514 1.00 0.82 H new ATOM 0 HB3 SER A 66 1.471 -7.685 -10.133 1.00 0.82 H new ATOM 0 HG SER A 66 0.705 -6.663 -12.077 1.00 1.84 H new ATOM 978 N LEU A 67 1.530 -5.963 -6.528 1.00 0.31 N ATOM 979 CA LEU A 67 2.304 -6.251 -5.330 1.00 0.40 C ATOM 980 C LEU A 67 2.091 -7.669 -4.797 1.00 0.33 C ATOM 981 O LEU A 67 1.367 -8.469 -5.389 1.00 0.37 O ATOM 982 CB LEU A 67 2.055 -5.170 -4.259 1.00 0.51 C ATOM 983 CG LEU A 67 0.580 -4.875 -3.980 1.00 1.01 C ATOM 984 CD1 LEU A 67 -0.257 -6.129 -3.815 1.00 1.95 C ATOM 985 CD2 LEU A 67 0.421 -4.042 -2.716 1.00 2.13 C ATOM 0 H LEU A 67 0.658 -5.467 -6.346 1.00 0.31 H new ATOM 0 HA LEU A 67 3.357 -6.216 -5.608 1.00 0.40 H new ATOM 0 HB2 LEU A 67 2.531 -5.482 -3.330 1.00 0.51 H new ATOM 0 HB3 LEU A 67 2.543 -4.247 -4.573 1.00 0.51 H new ATOM 0 HG LEU A 67 0.224 -4.329 -4.854 1.00 1.01 H new ATOM 0 HD11 LEU A 67 -1.293 -5.852 -3.619 1.00 1.95 H new ATOM 0 HD12 LEU A 67 -0.206 -6.723 -4.728 1.00 1.95 H new ATOM 0 HD13 LEU A 67 0.126 -6.715 -2.979 1.00 1.95 H new ATOM 0 HD21 LEU A 67 -0.637 -3.846 -2.540 1.00 2.13 H new ATOM 0 HD22 LEU A 67 0.835 -4.586 -1.867 1.00 2.13 H new ATOM 0 HD23 LEU A 67 0.950 -3.097 -2.834 1.00 2.13 H new ATOM 997 N ARG A 68 2.758 -7.968 -3.680 1.00 0.33 N ATOM 998 CA ARG A 68 2.659 -9.222 -2.957 1.00 0.36 C ATOM 999 C ARG A 68 2.844 -8.906 -1.471 1.00 0.34 C ATOM 1000 O ARG A 68 3.755 -8.147 -1.129 1.00 0.31 O ATOM 1001 CB ARG A 68 3.772 -10.152 -3.463 1.00 0.43 C ATOM 1002 CG ARG A 68 3.670 -11.601 -2.971 1.00 0.56 C ATOM 1003 CD ARG A 68 2.748 -12.452 -3.853 1.00 1.17 C ATOM 1004 NE ARG A 68 2.940 -13.883 -3.560 1.00 1.60 N ATOM 1005 CZ ARG A 68 2.768 -14.891 -4.433 1.00 2.39 C ATOM 1006 NH1 ARG A 68 2.195 -14.661 -5.621 1.00 3.07 N ATOM 1007 NH2 ARG A 68 3.180 -16.125 -4.118 1.00 3.26 N ATOM 0 H ARG A 68 3.406 -7.312 -3.243 1.00 0.33 H new ATOM 0 HA ARG A 68 1.697 -9.712 -3.108 1.00 0.36 H new ATOM 0 HB2 ARG A 68 3.760 -10.151 -4.553 1.00 0.43 H new ATOM 0 HB3 ARG A 68 4.735 -9.745 -3.155 1.00 0.43 H new ATOM 0 HG2 ARG A 68 4.664 -12.047 -2.953 1.00 0.56 H new ATOM 0 HG3 ARG A 68 3.298 -11.609 -1.946 1.00 0.56 H new ATOM 0 HD2 ARG A 68 1.708 -12.174 -3.679 1.00 1.17 H new ATOM 0 HD3 ARG A 68 2.958 -12.258 -4.905 1.00 1.17 H new ATOM 0 HE ARG A 68 3.228 -14.130 -2.613 1.00 1.60 H new ATOM 0 HH11 ARG A 68 1.888 -13.720 -5.865 1.00 3.07 H new ATOM 0 HH12 ARG A 68 2.066 -15.427 -6.282 1.00 3.07 H new ATOM 0 HH21 ARG A 68 3.624 -16.300 -3.216 1.00 3.26 H new ATOM 0 HH22 ARG A 68 3.050 -16.890 -4.779 1.00 3.26 H new ATOM 1021 N ASP A 69 1.989 -9.468 -0.612 1.00 0.50 N ATOM 1022 CA ASP A 69 2.086 -9.359 0.839 1.00 0.58 C ATOM 1023 C ASP A 69 3.477 -9.701 1.374 1.00 0.56 C ATOM 1024 O ASP A 69 3.970 -10.810 1.159 1.00 0.85 O ATOM 1025 CB ASP A 69 1.005 -10.218 1.499 1.00 0.93 C ATOM 1026 CG ASP A 69 0.808 -9.808 2.948 1.00 2.07 C ATOM 1027 OD1 ASP A 69 0.075 -8.811 3.147 1.00 3.59 O ATOM 1028 OD2 ASP A 69 1.401 -10.484 3.816 1.00 2.27 O ATOM 0 H ASP A 69 1.191 -10.025 -0.918 1.00 0.50 H new ATOM 0 HA ASP A 69 1.920 -8.314 1.099 1.00 0.58 H new ATOM 0 HB2 ASP A 69 0.066 -10.113 0.955 1.00 0.93 H new ATOM 0 HB3 ASP A 69 1.287 -11.270 1.448 1.00 0.93 H new ATOM 1033 N GLU A 70 4.103 -8.747 2.070 1.00 0.48 N ATOM 1034 CA GLU A 70 5.356 -8.930 2.783 1.00 0.52 C ATOM 1035 C GLU A 70 5.070 -9.037 4.273 1.00 0.64 C ATOM 1036 O GLU A 70 5.431 -8.158 5.058 1.00 0.76 O ATOM 1037 CB GLU A 70 6.333 -7.789 2.485 1.00 0.52 C ATOM 1038 CG GLU A 70 7.234 -8.162 1.307 1.00 0.79 C ATOM 1039 CD GLU A 70 8.285 -7.098 1.033 1.00 0.95 C ATOM 1040 OE1 GLU A 70 8.001 -5.917 1.334 1.00 1.85 O ATOM 1041 OE2 GLU A 70 9.345 -7.492 0.498 1.00 1.72 O ATOM 0 H GLU A 70 3.734 -7.799 2.151 1.00 0.48 H new ATOM 0 HA GLU A 70 5.830 -9.851 2.444 1.00 0.52 H new ATOM 0 HB2 GLU A 70 5.781 -6.878 2.256 1.00 0.52 H new ATOM 0 HB3 GLU A 70 6.940 -7.581 3.366 1.00 0.52 H new ATOM 0 HG2 GLU A 70 7.726 -9.112 1.514 1.00 0.79 H new ATOM 0 HG3 GLU A 70 6.624 -8.306 0.416 1.00 0.79 H new