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 Set 1.1: A 36 GLN : amide:sc= 1 K(o=2.2,f=-8.4!) USER MOD Set 1.2: A 43 LYS NZ :NH3+ -129:sc= 1.21 (180deg=-0.146) USER MOD Single : A 6 TYR OH : rot -93:sc= 1.24 USER MOD Single : A 7 SER OG : rot 180:sc= -0.956 USER MOD Single : A 9 LYS NZ :NH3+ 176:sc= 1.18 (180deg=1.13) USER MOD Single : A 11 SER OG : rot 44:sc= 0.803 USER MOD Single : A 13 MET CE :methyl 164:sc= -0.489 (180deg=-1.26) USER MOD Single : A 18 CYS SG : rot 139:sc= 0.748 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= -0.0409 X(o=-0.041,f=0) USER MOD Single : A 33 ASN : amide:sc= -0.552 X(o=-0.55,f=-0.7) USER MOD Single : A 34 GLN : amide:sc= -0.134 X(o=-0.13,f=-0.15) USER MOD Single : A 41 THR OG1 : rot -160:sc= 0 USER MOD Single : A 50 ASN :FLIP amide:sc= -0.346 F(o=-1.5,f=-0.35) USER MOD Single : A 55 GLN : amide:sc= -0.225 X(o=-0.23,f=-0.39) 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 USER MOD ----------------------------------------------------------------- ATOM 33 N ARG A 5 2.482 -3.030 12.021 1.00 0.53 N ATOM 34 CA ARG A 5 3.109 -2.639 10.775 1.00 0.51 C ATOM 35 C ARG A 5 2.843 -3.766 9.793 1.00 0.33 C ATOM 36 O ARG A 5 3.154 -4.914 10.088 1.00 0.48 O ATOM 37 CB ARG A 5 4.616 -2.425 10.980 1.00 0.81 C ATOM 38 CG ARG A 5 5.298 -2.012 9.669 1.00 0.76 C ATOM 39 CD ARG A 5 5.885 -3.195 8.874 1.00 0.65 C ATOM 40 NE ARG A 5 7.272 -3.517 9.278 1.00 0.91 N ATOM 41 CZ ARG A 5 8.341 -2.769 8.947 1.00 1.23 C ATOM 42 NH1 ARG A 5 8.159 -1.651 8.241 1.00 2.68 N ATOM 43 NH2 ARG A 5 9.582 -3.101 9.308 1.00 1.43 N ATOM 0 HA ARG A 5 2.707 -1.698 10.401 1.00 0.51 H new ATOM 0 HB2 ARG A 5 4.778 -1.656 11.736 1.00 0.81 H new ATOM 0 HB3 ARG A 5 5.069 -3.342 11.356 1.00 0.81 H new ATOM 0 HG2 ARG A 5 4.575 -1.489 9.043 1.00 0.76 H new ATOM 0 HG3 ARG A 5 6.097 -1.305 9.893 1.00 0.76 H new ATOM 0 HD2 ARG A 5 5.255 -4.073 9.017 1.00 0.65 H new ATOM 0 HD3 ARG A 5 5.865 -2.959 7.810 1.00 0.65 H new ATOM 0 HE ARG A 5 7.427 -4.354 9.840 1.00 0.91 H new ATOM 0 HH11 ARG A 5 7.219 -1.373 7.959 1.00 2.68 H new ATOM 0 HH12 ARG A 5 8.960 -1.075 7.983 1.00 2.68 H new ATOM 0 HH21 ARG A 5 9.745 -3.947 9.854 1.00 1.43 H new ATOM 0 HH22 ARG A 5 10.367 -2.509 9.038 1.00 1.43 H new ATOM 57 N TYR A 6 2.280 -3.453 8.634 1.00 0.32 N ATOM 58 CA TYR A 6 2.183 -4.374 7.508 1.00 0.26 C ATOM 59 C TYR A 6 2.997 -3.833 6.334 1.00 0.29 C ATOM 60 O TYR A 6 3.085 -2.616 6.214 1.00 0.54 O ATOM 61 CB TYR A 6 0.715 -4.461 7.121 1.00 0.36 C ATOM 62 CG TYR A 6 -0.240 -4.796 8.239 1.00 0.44 C ATOM 63 CD1 TYR A 6 0.031 -5.885 9.086 1.00 1.79 C ATOM 64 CD2 TYR A 6 -1.505 -4.186 8.261 1.00 1.81 C ATOM 65 CE1 TYR A 6 -0.968 -6.358 9.952 1.00 1.91 C ATOM 66 CE2 TYR A 6 -2.522 -4.706 9.076 1.00 1.75 C ATOM 67 CZ TYR A 6 -2.237 -5.757 9.966 1.00 0.67 C ATOM 68 OH TYR A 6 -3.219 -6.329 10.711 1.00 0.89 O ATOM 0 H TYR A 6 1.871 -2.538 8.446 1.00 0.32 H new ATOM 0 HA TYR A 6 2.571 -5.358 7.774 1.00 0.26 H new ATOM 0 HB2 TYR A 6 0.416 -3.507 6.687 1.00 0.36 H new ATOM 0 HB3 TYR A 6 0.609 -5.214 6.340 1.00 0.36 H new ATOM 0 HD1 TYR A 6 1.003 -6.356 9.071 1.00 1.79 H new ATOM 0 HD2 TYR A 6 -1.695 -3.316 7.650 1.00 1.81 H new ATOM 0 HE1 TYR A 6 -0.759 -7.188 10.611 1.00 1.91 H new ATOM 0 HE2 TYR A 6 -3.521 -4.300 9.020 1.00 1.75 H new ATOM 0 HH TYR A 6 -3.734 -6.949 10.153 1.00 0.89 H new ATOM 78 N SER A 7 3.553 -4.696 5.470 1.00 0.23 N ATOM 79 CA SER A 7 4.324 -4.297 4.290 1.00 0.20 C ATOM 80 C SER A 7 3.885 -5.067 3.041 1.00 0.18 C ATOM 81 O SER A 7 3.409 -6.199 3.142 1.00 0.21 O ATOM 82 CB SER A 7 5.817 -4.568 4.536 1.00 0.28 C ATOM 83 OG SER A 7 6.361 -3.865 5.630 1.00 1.69 O ATOM 0 H SER A 7 3.476 -5.708 5.577 1.00 0.23 H new ATOM 0 HA SER A 7 4.147 -3.235 4.122 1.00 0.20 H new ATOM 0 HB2 SER A 7 5.958 -5.636 4.699 1.00 0.28 H new ATOM 0 HB3 SER A 7 6.375 -4.306 3.637 1.00 0.28 H new ATOM 0 HG SER A 7 7.310 -4.090 5.724 1.00 1.69 H new ATOM 89 N TRP A 8 4.083 -4.451 1.867 1.00 0.17 N ATOM 90 CA TRP A 8 3.870 -5.034 0.552 1.00 0.20 C ATOM 91 C TRP A 8 5.026 -4.705 -0.381 1.00 0.18 C ATOM 92 O TRP A 8 5.521 -3.576 -0.359 1.00 0.18 O ATOM 93 CB TRP A 8 2.560 -4.533 -0.048 1.00 0.30 C ATOM 94 CG TRP A 8 1.399 -5.006 0.745 1.00 0.23 C ATOM 95 CD1 TRP A 8 1.092 -6.309 0.872 1.00 0.30 C ATOM 96 CD2 TRP A 8 0.616 -4.356 1.776 1.00 0.26 C ATOM 97 NE1 TRP A 8 0.335 -6.487 2.017 1.00 0.23 N ATOM 98 CE2 TRP A 8 0.377 -5.322 2.773 1.00 0.26 C ATOM 99 CE3 TRP A 8 0.193 -3.075 2.162 1.00 0.32 C ATOM 100 CZ2 TRP A 8 0.113 -4.855 4.083 1.00 0.30 C ATOM 101 CZ3 TRP A 8 -0.911 -3.044 3.055 1.00 0.37 C ATOM 102 CH2 TRP A 8 -0.788 -3.795 4.203 1.00 0.31 C ATOM 0 H TRP A 8 4.412 -3.487 1.816 1.00 0.17 H new ATOM 0 HA TRP A 8 3.816 -6.116 0.669 1.00 0.20 H new ATOM 0 HB2 TRP A 8 2.564 -3.443 -0.081 1.00 0.30 H new ATOM 0 HB3 TRP A 8 2.469 -4.882 -1.077 1.00 0.30 H new ATOM 0 HD1 TRP A 8 1.389 -7.092 0.190 1.00 0.30 H new ATOM 0 HE1 TRP A 8 -0.172 -7.336 2.266 1.00 0.23 H new ATOM 0 HE3 TRP A 8 0.673 -2.176 1.805 1.00 0.32 H new ATOM 0 HZ2 TRP A 8 0.586 -5.297 4.948 1.00 0.30 H new ATOM 0 HZ3 TRP A 8 -1.798 -2.464 2.846 1.00 0.37 H new ATOM 0 HH2 TRP A 8 -1.336 -3.584 5.109 1.00 0.31 H new ATOM 113 N LYS A 9 5.385 -5.682 -1.222 1.00 0.28 N ATOM 114 CA LYS A 9 6.444 -5.554 -2.219 1.00 0.32 C ATOM 115 C LYS A 9 5.749 -5.432 -3.564 1.00 0.37 C ATOM 116 O LYS A 9 4.851 -6.232 -3.819 1.00 0.48 O ATOM 117 CB LYS A 9 7.390 -6.765 -2.144 1.00 0.45 C ATOM 118 CG LYS A 9 6.869 -8.072 -2.773 1.00 0.76 C ATOM 119 CD LYS A 9 7.444 -9.308 -2.063 1.00 0.80 C ATOM 120 CE LYS A 9 6.397 -9.786 -1.050 1.00 3.36 C ATOM 121 NZ LYS A 9 6.912 -10.753 -0.063 1.00 4.06 N ATOM 0 H LYS A 9 4.937 -6.598 -1.225 1.00 0.28 H new ATOM 0 HA LYS A 9 7.070 -4.678 -2.049 1.00 0.32 H new ATOM 0 HB2 LYS A 9 8.327 -6.499 -2.633 1.00 0.45 H new ATOM 0 HB3 LYS A 9 7.620 -6.956 -1.096 1.00 0.45 H new ATOM 0 HG2 LYS A 9 5.781 -8.094 -2.719 1.00 0.76 H new ATOM 0 HG3 LYS A 9 7.137 -8.101 -3.829 1.00 0.76 H new ATOM 0 HD2 LYS A 9 7.668 -10.095 -2.784 1.00 0.80 H new ATOM 0 HD3 LYS A 9 8.379 -9.061 -1.560 1.00 0.80 H new ATOM 0 HE2 LYS A 9 5.998 -8.921 -0.521 1.00 3.36 H new ATOM 0 HE3 LYS A 9 5.566 -10.241 -1.589 1.00 3.36 H new ATOM 0 HZ1 LYS A 9 6.166 -10.976 0.626 1.00 4.06 H new ATOM 0 HZ2 LYS A 9 7.205 -11.624 -0.550 1.00 4.06 H new ATOM 0 HZ3 LYS A 9 7.729 -10.342 0.432 1.00 4.06 H new ATOM 135 N VAL A 10 6.100 -4.435 -4.378 1.00 0.49 N ATOM 136 CA VAL A 10 5.419 -4.149 -5.636 1.00 0.64 C ATOM 137 C VAL A 10 6.401 -4.236 -6.809 1.00 0.88 C ATOM 138 O VAL A 10 7.559 -4.607 -6.631 1.00 1.93 O ATOM 139 CB VAL A 10 4.645 -2.819 -5.482 1.00 0.71 C ATOM 140 CG1 VAL A 10 5.488 -1.570 -5.732 1.00 1.62 C ATOM 141 CG2 VAL A 10 3.392 -2.732 -6.353 1.00 1.74 C ATOM 0 H VAL A 10 6.872 -3.799 -4.178 1.00 0.49 H new ATOM 0 HA VAL A 10 4.668 -4.900 -5.879 1.00 0.64 H new ATOM 0 HB VAL A 10 4.352 -2.837 -4.432 1.00 0.71 H new ATOM 0 HG11 VAL A 10 4.869 -0.682 -5.604 1.00 1.62 H new ATOM 0 HG12 VAL A 10 6.315 -1.542 -5.023 1.00 1.62 H new ATOM 0 HG13 VAL A 10 5.882 -1.594 -6.748 1.00 1.62 H new ATOM 0 HG21 VAL A 10 2.902 -1.772 -6.191 1.00 1.74 H new ATOM 0 HG22 VAL A 10 3.671 -2.825 -7.403 1.00 1.74 H new ATOM 0 HG23 VAL A 10 2.708 -3.538 -6.087 1.00 1.74 H new ATOM 151 N SER A 11 5.924 -3.941 -8.018 1.00 0.53 N ATOM 152 CA SER A 11 6.747 -3.718 -9.192 1.00 0.52 C ATOM 153 C SER A 11 5.961 -2.785 -10.117 1.00 0.55 C ATOM 154 O SER A 11 5.137 -3.266 -10.897 1.00 1.08 O ATOM 155 CB SER A 11 7.079 -5.063 -9.854 1.00 0.69 C ATOM 156 OG SER A 11 5.894 -5.760 -10.189 1.00 2.43 O ATOM 0 H SER A 11 4.926 -3.849 -8.206 1.00 0.53 H new ATOM 0 HA SER A 11 7.701 -3.254 -8.942 1.00 0.52 H new ATOM 0 HB2 SER A 11 7.675 -4.895 -10.751 1.00 0.69 H new ATOM 0 HB3 SER A 11 7.684 -5.667 -9.178 1.00 0.69 H new ATOM 0 HG SER A 11 5.251 -5.138 -10.589 1.00 2.43 H new ATOM 162 N GLY A 12 6.159 -1.472 -9.988 1.00 0.59 N ATOM 163 CA GLY A 12 5.437 -0.465 -10.762 1.00 0.58 C ATOM 164 C GLY A 12 5.256 0.909 -10.094 1.00 0.73 C ATOM 165 O GLY A 12 4.593 1.763 -10.682 1.00 1.75 O ATOM 0 H GLY A 12 6.834 -1.075 -9.335 1.00 0.59 H new ATOM 0 HA2 GLY A 12 5.961 -0.320 -11.707 1.00 0.58 H new ATOM 0 HA3 GLY A 12 4.450 -0.861 -11.002 1.00 0.58 H new ATOM 169 N MET A 13 5.789 1.161 -8.891 1.00 0.46 N ATOM 170 CA MET A 13 5.719 2.464 -8.244 1.00 0.38 C ATOM 171 C MET A 13 7.050 3.186 -8.431 1.00 0.41 C ATOM 172 O MET A 13 8.008 2.916 -7.714 1.00 0.56 O ATOM 173 CB MET A 13 5.428 2.297 -6.751 1.00 0.44 C ATOM 174 CG MET A 13 3.937 2.239 -6.424 1.00 1.10 C ATOM 175 SD MET A 13 3.598 2.688 -4.708 1.00 1.71 S ATOM 176 CE MET A 13 4.443 1.369 -3.810 1.00 2.08 C ATOM 0 H MET A 13 6.283 0.457 -8.342 1.00 0.46 H new ATOM 0 HA MET A 13 4.916 3.048 -8.694 1.00 0.38 H new ATOM 0 HB2 MET A 13 5.906 1.384 -6.396 1.00 0.44 H new ATOM 0 HB3 MET A 13 5.880 3.126 -6.206 1.00 0.44 H new ATOM 0 HG2 MET A 13 3.395 2.912 -7.088 1.00 1.10 H new ATOM 0 HG3 MET A 13 3.564 1.233 -6.615 1.00 1.10 H new ATOM 0 HE1 MET A 13 4.565 1.659 -2.766 1.00 2.08 H new ATOM 0 HE2 MET A 13 3.852 0.455 -3.866 1.00 2.08 H new ATOM 0 HE3 MET A 13 5.423 1.196 -4.255 1.00 2.08 H new ATOM 186 N ASP A 14 7.085 4.147 -9.354 1.00 0.45 N ATOM 187 CA ASP A 14 8.296 4.835 -9.793 1.00 0.55 C ATOM 188 C ASP A 14 8.244 6.360 -9.611 1.00 0.51 C ATOM 189 O ASP A 14 9.262 7.018 -9.825 1.00 0.59 O ATOM 190 CB ASP A 14 8.522 4.478 -11.269 1.00 0.80 C ATOM 191 CG ASP A 14 7.287 4.781 -12.110 1.00 0.86 C ATOM 192 OD1 ASP A 14 6.861 5.953 -12.101 1.00 1.51 O ATOM 193 OD2 ASP A 14 6.740 3.825 -12.698 1.00 1.20 O ATOM 0 H ASP A 14 6.246 4.477 -9.830 1.00 0.45 H new ATOM 0 HA ASP A 14 9.123 4.501 -9.166 1.00 0.55 H new ATOM 0 HB2 ASP A 14 9.373 5.039 -11.654 1.00 0.80 H new ATOM 0 HB3 ASP A 14 8.772 3.421 -11.355 1.00 0.80 H new ATOM 198 N CYS A 15 7.101 6.928 -9.198 1.00 0.45 N ATOM 199 CA CYS A 15 6.852 8.362 -9.228 1.00 0.40 C ATOM 200 C CYS A 15 6.174 8.784 -7.930 1.00 0.32 C ATOM 201 O CYS A 15 5.352 8.043 -7.393 1.00 0.29 O ATOM 202 CB CYS A 15 5.938 8.749 -10.405 1.00 0.43 C ATOM 203 SG CYS A 15 6.121 7.708 -11.884 1.00 0.62 S ATOM 0 H CYS A 15 6.317 6.389 -8.830 1.00 0.45 H new ATOM 0 HA CYS A 15 7.811 8.867 -9.347 1.00 0.40 H new ATOM 0 HB2 CYS A 15 4.901 8.704 -10.072 1.00 0.43 H new ATOM 0 HB3 CYS A 15 6.140 9.784 -10.679 1.00 0.43 H new ATOM 208 N ALA A 16 6.443 10.010 -7.478 1.00 0.31 N ATOM 209 CA ALA A 16 5.789 10.572 -6.304 1.00 0.29 C ATOM 210 C ALA A 16 4.278 10.676 -6.512 1.00 0.23 C ATOM 211 O ALA A 16 3.507 10.458 -5.583 1.00 0.24 O ATOM 212 CB ALA A 16 6.385 11.946 -5.983 1.00 0.35 C ATOM 0 H ALA A 16 7.118 10.636 -7.916 1.00 0.31 H new ATOM 0 HA ALA A 16 5.962 9.904 -5.460 1.00 0.29 H new ATOM 0 HB1 ALA A 16 5.891 12.360 -5.104 1.00 0.35 H new ATOM 0 HB2 ALA A 16 7.452 11.843 -5.785 1.00 0.35 H new ATOM 0 HB3 ALA A 16 6.237 12.614 -6.831 1.00 0.35 H new ATOM 218 N ALA A 17 3.846 11.021 -7.730 1.00 0.23 N ATOM 219 CA ALA A 17 2.429 11.115 -8.060 1.00 0.22 C ATOM 220 C ALA A 17 1.754 9.751 -7.899 1.00 0.20 C ATOM 221 O ALA A 17 0.728 9.641 -7.226 1.00 0.22 O ATOM 222 CB ALA A 17 2.260 11.661 -9.480 1.00 0.25 C ATOM 0 H ALA A 17 4.469 11.241 -8.507 1.00 0.23 H new ATOM 0 HA ALA A 17 1.944 11.807 -7.372 1.00 0.22 H new ATOM 0 HB1 ALA A 17 1.199 11.729 -9.720 1.00 0.25 H new ATOM 0 HB2 ALA A 17 2.711 12.651 -9.545 1.00 0.25 H new ATOM 0 HB3 ALA A 17 2.750 10.992 -10.188 1.00 0.25 H new ATOM 228 N CYS A 18 2.349 8.714 -8.500 1.00 0.22 N ATOM 229 CA CYS A 18 1.937 7.330 -8.327 1.00 0.24 C ATOM 230 C CYS A 18 1.852 7.030 -6.830 1.00 0.21 C ATOM 231 O CYS A 18 0.814 6.589 -6.337 1.00 0.22 O ATOM 232 CB CYS A 18 2.920 6.387 -9.044 1.00 0.31 C ATOM 233 SG CYS A 18 3.071 6.836 -10.802 1.00 0.45 S ATOM 0 H CYS A 18 3.144 8.823 -9.130 1.00 0.22 H new ATOM 0 HA CYS A 18 0.956 7.168 -8.774 1.00 0.24 H new ATOM 0 HB2 CYS A 18 3.897 6.439 -8.565 1.00 0.31 H new ATOM 0 HB3 CYS A 18 2.575 5.357 -8.954 1.00 0.31 H new ATOM 0 HG CYS A 18 4.317 6.758 -11.164 1.00 0.45 H new ATOM 238 N ALA A 19 2.929 7.331 -6.099 1.00 0.20 N ATOM 239 CA ALA A 19 2.971 7.155 -4.658 1.00 0.21 C ATOM 240 C ALA A 19 1.763 7.807 -3.982 1.00 0.19 C ATOM 241 O ALA A 19 1.050 7.138 -3.244 1.00 0.21 O ATOM 242 CB ALA A 19 4.295 7.665 -4.081 1.00 0.24 C ATOM 0 H ALA A 19 3.792 7.703 -6.496 1.00 0.20 H new ATOM 0 HA ALA A 19 2.915 6.087 -4.447 1.00 0.21 H new ATOM 0 HB1 ALA A 19 4.300 7.521 -3.001 1.00 0.24 H new ATOM 0 HB2 ALA A 19 5.123 7.111 -4.525 1.00 0.24 H new ATOM 0 HB3 ALA A 19 4.406 8.726 -4.307 1.00 0.24 H new ATOM 248 N ARG A 20 1.497 9.091 -4.236 1.00 0.21 N ATOM 249 CA ARG A 20 0.378 9.785 -3.644 1.00 0.22 C ATOM 250 C ARG A 20 -0.955 9.153 -4.047 1.00 0.22 C ATOM 251 O ARG A 20 -1.886 9.101 -3.244 1.00 0.31 O ATOM 252 CB ARG A 20 0.436 11.265 -4.017 1.00 0.26 C ATOM 253 CG ARG A 20 1.232 12.103 -3.002 1.00 0.81 C ATOM 254 CD ARG A 20 0.472 13.377 -2.627 1.00 0.76 C ATOM 255 NE ARG A 20 -0.566 13.017 -1.657 1.00 1.80 N ATOM 256 CZ ARG A 20 -1.668 13.686 -1.319 1.00 2.75 C ATOM 257 NH1 ARG A 20 -1.953 14.869 -1.879 1.00 2.84 N ATOM 258 NH2 ARG A 20 -2.453 13.121 -0.402 1.00 4.12 N ATOM 0 H ARG A 20 2.059 9.669 -4.860 1.00 0.21 H new ATOM 0 HA ARG A 20 0.447 9.696 -2.560 1.00 0.22 H new ATOM 0 HB2 ARG A 20 0.889 11.369 -5.003 1.00 0.26 H new ATOM 0 HB3 ARG A 20 -0.578 11.657 -4.089 1.00 0.26 H new ATOM 0 HG2 ARG A 20 1.422 11.512 -2.106 1.00 0.81 H new ATOM 0 HG3 ARG A 20 2.203 12.365 -3.423 1.00 0.81 H new ATOM 0 HD2 ARG A 20 1.152 14.115 -2.201 1.00 0.76 H new ATOM 0 HD3 ARG A 20 0.025 13.829 -3.513 1.00 0.76 H new ATOM 0 HE ARG A 20 -0.425 12.130 -1.173 1.00 1.80 H new ATOM 0 HH11 ARG A 20 -1.323 15.269 -2.574 1.00 2.84 H new ATOM 0 HH12 ARG A 20 -2.800 15.370 -1.610 1.00 2.84 H new ATOM 0 HH21 ARG A 20 -2.197 12.221 0.003 1.00 4.12 H new ATOM 0 HH22 ARG A 20 -3.309 13.589 -0.106 1.00 4.12 H new ATOM 272 N LYS A 21 -1.082 8.658 -5.279 1.00 0.19 N ATOM 273 CA LYS A 21 -2.271 7.901 -5.628 1.00 0.25 C ATOM 274 C LYS A 21 -2.377 6.657 -4.744 1.00 0.25 C ATOM 275 O LYS A 21 -3.458 6.348 -4.251 1.00 0.30 O ATOM 276 CB LYS A 21 -2.294 7.549 -7.123 1.00 0.37 C ATOM 277 CG LYS A 21 -3.322 8.418 -7.859 1.00 0.66 C ATOM 278 CD LYS A 21 -3.587 7.871 -9.267 1.00 1.29 C ATOM 279 CE LYS A 21 -4.685 8.697 -9.954 1.00 1.63 C ATOM 280 NZ LYS A 21 -5.094 8.114 -11.248 1.00 2.42 N ATOM 0 H LYS A 21 -0.397 8.765 -6.027 1.00 0.19 H new ATOM 0 HA LYS A 21 -3.147 8.522 -5.443 1.00 0.25 H new ATOM 0 HB2 LYS A 21 -1.304 7.700 -7.554 1.00 0.37 H new ATOM 0 HB3 LYS A 21 -2.540 6.495 -7.252 1.00 0.37 H new ATOM 0 HG2 LYS A 21 -4.253 8.446 -7.293 1.00 0.66 H new ATOM 0 HG3 LYS A 21 -2.958 9.443 -7.925 1.00 0.66 H new ATOM 0 HD2 LYS A 21 -2.672 7.905 -9.858 1.00 1.29 H new ATOM 0 HD3 LYS A 21 -3.890 6.826 -9.209 1.00 1.29 H new ATOM 0 HE2 LYS A 21 -5.552 8.763 -9.297 1.00 1.63 H new ATOM 0 HE3 LYS A 21 -4.327 9.714 -10.113 1.00 1.63 H new ATOM 0 HZ1 LYS A 21 -5.836 8.704 -11.675 1.00 2.42 H new ATOM 0 HZ2 LYS A 21 -4.273 8.074 -11.886 1.00 2.42 H new ATOM 0 HZ3 LYS A 21 -5.461 7.153 -11.095 1.00 2.42 H new ATOM 294 N VAL A 22 -1.271 5.944 -4.534 1.00 0.24 N ATOM 295 CA VAL A 22 -1.268 4.694 -3.801 1.00 0.25 C ATOM 296 C VAL A 22 -1.576 4.935 -2.325 1.00 0.28 C ATOM 297 O VAL A 22 -2.468 4.278 -1.783 1.00 0.33 O ATOM 298 CB VAL A 22 0.058 3.960 -4.040 1.00 0.24 C ATOM 299 CG1 VAL A 22 0.218 2.785 -3.080 1.00 0.35 C ATOM 300 CG2 VAL A 22 0.059 3.422 -5.472 1.00 0.47 C ATOM 0 H VAL A 22 -0.351 6.225 -4.872 1.00 0.24 H new ATOM 0 HA VAL A 22 -2.061 4.043 -4.167 1.00 0.25 H new ATOM 0 HB VAL A 22 0.880 4.657 -3.876 1.00 0.24 H new ATOM 0 HG11 VAL A 22 1.167 2.284 -3.273 1.00 0.35 H new ATOM 0 HG12 VAL A 22 0.203 3.150 -2.053 1.00 0.35 H new ATOM 0 HG13 VAL A 22 -0.601 2.081 -3.227 1.00 0.35 H new ATOM 0 HG21 VAL A 22 0.995 2.896 -5.662 1.00 0.47 H new ATOM 0 HG22 VAL A 22 -0.777 2.735 -5.603 1.00 0.47 H new ATOM 0 HG23 VAL A 22 -0.040 4.251 -6.172 1.00 0.47 H new ATOM 310 N GLU A 23 -0.868 5.875 -1.680 1.00 0.26 N ATOM 311 CA GLU A 23 -1.134 6.198 -0.285 1.00 0.26 C ATOM 312 C GLU A 23 -2.630 6.467 -0.144 1.00 0.27 C ATOM 313 O GLU A 23 -3.267 5.968 0.774 1.00 0.32 O ATOM 314 CB GLU A 23 -0.285 7.372 0.272 1.00 0.35 C ATOM 315 CG GLU A 23 -0.820 8.719 -0.225 1.00 0.52 C ATOM 316 CD GLU A 23 -0.137 10.005 0.209 1.00 0.89 C ATOM 317 OE1 GLU A 23 1.048 9.945 0.587 1.00 1.21 O ATOM 318 OE2 GLU A 23 -0.830 11.053 0.109 1.00 2.36 O ATOM 0 H GLU A 23 -0.115 6.416 -2.105 1.00 0.26 H new ATOM 0 HA GLU A 23 -0.833 5.345 0.323 1.00 0.26 H new ATOM 0 HB2 GLU A 23 -0.299 7.351 1.362 1.00 0.35 H new ATOM 0 HB3 GLU A 23 0.754 7.253 -0.036 1.00 0.35 H new ATOM 0 HG2 GLU A 23 -0.805 8.694 -1.315 1.00 0.52 H new ATOM 0 HG3 GLU A 23 -1.865 8.787 0.078 1.00 0.52 H new ATOM 325 N ASN A 24 -3.195 7.249 -1.070 1.00 0.29 N ATOM 326 CA ASN A 24 -4.556 7.730 -0.958 1.00 0.32 C ATOM 327 C ASN A 24 -5.543 6.591 -1.150 1.00 0.31 C ATOM 328 O ASN A 24 -6.451 6.396 -0.342 1.00 0.39 O ATOM 329 CB ASN A 24 -4.797 8.825 -1.995 1.00 0.38 C ATOM 330 CG ASN A 24 -6.023 9.619 -1.596 1.00 1.28 C ATOM 331 OD1 ASN A 24 -7.131 9.374 -2.058 1.00 2.60 O ATOM 332 ND2 ASN A 24 -5.800 10.572 -0.699 1.00 1.57 N ATOM 0 H ASN A 24 -2.713 7.560 -1.914 1.00 0.29 H new ATOM 0 HA ASN A 24 -4.706 8.142 0.040 1.00 0.32 H new ATOM 0 HB2 ASN A 24 -3.928 9.480 -2.060 1.00 0.38 H new ATOM 0 HB3 ASN A 24 -4.938 8.385 -2.982 1.00 0.38 H new ATOM 0 HD21 ASN A 24 -6.573 11.144 -0.360 1.00 1.57 H new ATOM 0 HD22 ASN A 24 -4.855 10.732 -0.349 1.00 1.57 H new ATOM 339 N ALA A 25 -5.332 5.835 -2.228 1.00 0.30 N ATOM 340 CA ALA A 25 -6.119 4.679 -2.613 1.00 0.35 C ATOM 341 C ALA A 25 -6.162 3.634 -1.501 1.00 0.29 C ATOM 342 O ALA A 25 -7.146 2.908 -1.379 1.00 0.38 O ATOM 343 CB ALA A 25 -5.543 4.104 -3.904 1.00 0.44 C ATOM 0 H ALA A 25 -4.572 6.026 -2.881 1.00 0.30 H new ATOM 0 HA ALA A 25 -7.151 4.985 -2.784 1.00 0.35 H new ATOM 0 HB1 ALA A 25 -6.125 3.233 -4.206 1.00 0.44 H new ATOM 0 HB2 ALA A 25 -5.585 4.859 -4.689 1.00 0.44 H new ATOM 0 HB3 ALA A 25 -4.507 3.809 -3.740 1.00 0.44 H new ATOM 349 N VAL A 26 -5.119 3.572 -0.671 1.00 0.22 N ATOM 350 CA VAL A 26 -5.129 2.757 0.532 1.00 0.21 C ATOM 351 C VAL A 26 -5.794 3.500 1.697 1.00 0.22 C ATOM 352 O VAL A 26 -6.676 2.950 2.352 1.00 0.25 O ATOM 353 CB VAL A 26 -3.705 2.244 0.797 1.00 0.29 C ATOM 354 CG1 VAL A 26 -3.501 1.706 2.209 1.00 2.08 C ATOM 355 CG2 VAL A 26 -3.437 1.145 -0.223 1.00 2.07 C ATOM 0 H VAL A 26 -4.250 4.085 -0.818 1.00 0.22 H new ATOM 0 HA VAL A 26 -5.751 1.871 0.402 1.00 0.21 H new ATOM 0 HB VAL A 26 -3.010 3.078 0.702 1.00 0.29 H new ATOM 0 HG11 VAL A 26 -2.473 1.362 2.322 1.00 2.08 H new ATOM 0 HG12 VAL A 26 -3.701 2.497 2.932 1.00 2.08 H new ATOM 0 HG13 VAL A 26 -4.183 0.874 2.383 1.00 2.08 H new ATOM 0 HG21 VAL A 26 -2.433 0.748 -0.074 1.00 2.07 H new ATOM 0 HG22 VAL A 26 -4.166 0.345 -0.096 1.00 2.07 H new ATOM 0 HG23 VAL A 26 -3.520 1.555 -1.230 1.00 2.07 H new ATOM 365 N ARG A 27 -5.411 4.751 1.961 1.00 0.24 N ATOM 366 CA ARG A 27 -5.905 5.529 3.091 1.00 0.29 C ATOM 367 C ARG A 27 -7.434 5.580 3.111 1.00 0.34 C ATOM 368 O ARG A 27 -8.041 5.513 4.176 1.00 0.41 O ATOM 369 CB ARG A 27 -5.306 6.942 3.065 1.00 0.34 C ATOM 370 CG ARG A 27 -5.580 7.662 4.388 1.00 0.40 C ATOM 371 CD ARG A 27 -4.952 9.057 4.401 1.00 0.60 C ATOM 372 NE ARG A 27 -5.233 9.731 5.677 1.00 0.75 N ATOM 373 CZ ARG A 27 -4.994 11.028 5.936 1.00 1.20 C ATOM 374 NH1 ARG A 27 -4.385 11.785 5.018 1.00 1.81 N ATOM 375 NH2 ARG A 27 -5.370 11.557 7.105 1.00 1.34 N ATOM 0 H ARG A 27 -4.738 5.257 1.385 1.00 0.24 H new ATOM 0 HA ARG A 27 -5.587 5.034 4.008 1.00 0.29 H new ATOM 0 HB2 ARG A 27 -4.232 6.885 2.890 1.00 0.34 H new ATOM 0 HB3 ARG A 27 -5.734 7.510 2.239 1.00 0.34 H new ATOM 0 HG2 ARG A 27 -6.656 7.743 4.544 1.00 0.40 H new ATOM 0 HG3 ARG A 27 -5.181 7.073 5.214 1.00 0.40 H new ATOM 0 HD2 ARG A 27 -3.875 8.980 4.252 1.00 0.60 H new ATOM 0 HD3 ARG A 27 -5.346 9.649 3.575 1.00 0.60 H new ATOM 0 HE ARG A 27 -5.642 9.170 6.425 1.00 0.75 H new ATOM 0 HH11 ARG A 27 -4.104 11.378 4.126 1.00 1.81 H new ATOM 0 HH12 ARG A 27 -4.201 12.770 5.209 1.00 1.81 H new ATOM 0 HH21 ARG A 27 -5.838 10.976 7.801 1.00 1.34 H new ATOM 0 HH22 ARG A 27 -5.188 12.541 7.301 1.00 1.34 H new ATOM 389 N GLN A 28 -8.055 5.682 1.933 1.00 0.35 N ATOM 390 CA GLN A 28 -9.506 5.697 1.791 1.00 0.44 C ATOM 391 C GLN A 28 -10.205 4.482 2.417 1.00 0.42 C ATOM 392 O GLN A 28 -11.417 4.533 2.594 1.00 0.49 O ATOM 393 CB GLN A 28 -9.932 5.919 0.334 1.00 0.56 C ATOM 394 CG GLN A 28 -9.426 4.786 -0.553 1.00 0.57 C ATOM 395 CD GLN A 28 -9.942 4.874 -1.985 1.00 0.81 C ATOM 396 OE1 GLN A 28 -10.623 3.975 -2.465 1.00 1.09 O ATOM 397 NE2 GLN A 28 -9.622 5.957 -2.687 1.00 0.96 N ATOM 0 H GLN A 28 -7.557 5.757 1.046 1.00 0.35 H new ATOM 0 HA GLN A 28 -9.848 6.554 2.371 1.00 0.44 H new ATOM 0 HB2 GLN A 28 -11.019 5.978 0.272 1.00 0.56 H new ATOM 0 HB3 GLN A 28 -9.540 6.871 -0.024 1.00 0.56 H new ATOM 0 HG2 GLN A 28 -8.336 4.800 -0.564 1.00 0.57 H new ATOM 0 HG3 GLN A 28 -9.728 3.832 -0.122 1.00 0.57 H new ATOM 0 HE21 GLN A 28 -9.054 6.690 -2.263 1.00 0.96 H new ATOM 0 HE22 GLN A 28 -9.945 6.055 -3.650 1.00 0.96 H new ATOM 406 N LEU A 29 -9.491 3.380 2.694 1.00 0.34 N ATOM 407 CA LEU A 29 -10.126 2.154 3.162 1.00 0.36 C ATOM 408 C LEU A 29 -10.815 2.361 4.517 1.00 0.35 C ATOM 409 O LEU A 29 -12.040 2.401 4.564 1.00 0.41 O ATOM 410 CB LEU A 29 -9.114 1.000 3.184 1.00 0.33 C ATOM 411 CG LEU A 29 -8.671 0.570 1.774 1.00 0.38 C ATOM 412 CD1 LEU A 29 -7.482 -0.386 1.896 1.00 0.40 C ATOM 413 CD2 LEU A 29 -9.804 -0.109 0.991 1.00 0.50 C ATOM 0 H LEU A 29 -8.477 3.320 2.600 1.00 0.34 H new ATOM 0 HA LEU A 29 -10.913 1.881 2.459 1.00 0.36 H new ATOM 0 HB2 LEU A 29 -8.238 1.301 3.759 1.00 0.33 H new ATOM 0 HB3 LEU A 29 -9.555 0.146 3.698 1.00 0.33 H new ATOM 0 HG LEU A 29 -8.388 1.466 1.221 1.00 0.38 H new ATOM 0 HD11 LEU A 29 -7.161 -0.696 0.902 1.00 0.40 H new ATOM 0 HD12 LEU A 29 -6.659 0.119 2.402 1.00 0.40 H new ATOM 0 HD13 LEU A 29 -7.778 -1.263 2.472 1.00 0.40 H new ATOM 0 HD21 LEU A 29 -9.443 -0.394 0.003 1.00 0.50 H new ATOM 0 HD22 LEU A 29 -10.135 -0.998 1.527 1.00 0.50 H new ATOM 0 HD23 LEU A 29 -10.640 0.583 0.886 1.00 0.50 H new ATOM 425 N ALA A 30 -10.034 2.453 5.604 1.00 0.31 N ATOM 426 CA ALA A 30 -10.466 2.656 6.987 1.00 0.34 C ATOM 427 C ALA A 30 -9.357 2.240 7.959 1.00 0.33 C ATOM 428 O ALA A 30 -8.806 3.076 8.666 1.00 0.35 O ATOM 429 CB ALA A 30 -11.715 1.834 7.288 1.00 0.39 C ATOM 0 H ALA A 30 -9.019 2.382 5.531 1.00 0.31 H new ATOM 0 HA ALA A 30 -10.689 3.715 7.114 1.00 0.34 H new ATOM 0 HB1 ALA A 30 -12.019 2.000 8.321 1.00 0.39 H new ATOM 0 HB2 ALA A 30 -12.520 2.138 6.619 1.00 0.39 H new ATOM 0 HB3 ALA A 30 -11.499 0.776 7.138 1.00 0.39 H new ATOM 435 N GLY A 31 -9.058 0.935 7.994 1.00 0.32 N ATOM 436 CA GLY A 31 -8.074 0.296 8.871 1.00 0.34 C ATOM 437 C GLY A 31 -6.791 1.111 9.022 1.00 0.32 C ATOM 438 O GLY A 31 -6.255 1.246 10.120 1.00 0.35 O ATOM 0 H GLY A 31 -9.520 0.265 7.380 1.00 0.32 H new ATOM 0 HA2 GLY A 31 -8.518 0.142 9.855 1.00 0.34 H new ATOM 0 HA3 GLY A 31 -7.828 -0.689 8.475 1.00 0.34 H new ATOM 442 N VAL A 32 -6.269 1.573 7.882 1.00 0.28 N ATOM 443 CA VAL A 32 -5.001 2.251 7.765 1.00 0.25 C ATOM 444 C VAL A 32 -5.001 3.607 8.472 1.00 0.26 C ATOM 445 O VAL A 32 -5.795 4.484 8.140 1.00 0.32 O ATOM 446 CB VAL A 32 -4.549 2.277 6.301 1.00 0.27 C ATOM 447 CG1 VAL A 32 -5.647 2.370 5.254 1.00 0.35 C ATOM 448 CG2 VAL A 32 -3.540 3.383 6.024 1.00 0.30 C ATOM 0 H VAL A 32 -6.748 1.474 6.987 1.00 0.28 H new ATOM 0 HA VAL A 32 -4.240 1.685 8.302 1.00 0.25 H new ATOM 0 HB VAL A 32 -4.096 1.292 6.193 1.00 0.27 H new ATOM 0 HG11 VAL A 32 -5.201 2.380 4.259 1.00 0.35 H new ATOM 0 HG12 VAL A 32 -6.311 1.510 5.345 1.00 0.35 H new ATOM 0 HG13 VAL A 32 -6.218 3.286 5.406 1.00 0.35 H new ATOM 0 HG21 VAL A 32 -3.252 3.358 4.973 1.00 0.30 H new ATOM 0 HG22 VAL A 32 -3.987 4.350 6.255 1.00 0.30 H new ATOM 0 HG23 VAL A 32 -2.657 3.234 6.646 1.00 0.30 H new ATOM 458 N ASN A 33 -4.058 3.787 9.406 1.00 0.26 N ATOM 459 CA ASN A 33 -3.879 5.027 10.144 1.00 0.36 C ATOM 460 C ASN A 33 -2.789 5.831 9.443 1.00 0.38 C ATOM 461 O ASN A 33 -3.040 6.940 8.976 1.00 0.56 O ATOM 462 CB ASN A 33 -3.424 4.782 11.593 1.00 0.48 C ATOM 463 CG ASN A 33 -4.152 3.684 12.356 1.00 0.72 C ATOM 464 OD1 ASN A 33 -5.181 3.913 12.983 1.00 1.05 O ATOM 465 ND2 ASN A 33 -3.535 2.511 12.364 1.00 1.15 N ATOM 0 H ASN A 33 -3.392 3.060 9.668 1.00 0.26 H new ATOM 0 HA ASN A 33 -4.835 5.549 10.171 1.00 0.36 H new ATOM 0 HB2 ASN A 33 -2.361 4.542 11.581 1.00 0.48 H new ATOM 0 HB3 ASN A 33 -3.534 5.714 12.148 1.00 0.48 H new ATOM 0 HD21 ASN A 33 -3.914 1.739 12.912 1.00 1.15 H new ATOM 0 HD22 ASN A 33 -2.681 2.380 11.822 1.00 1.15 H new ATOM 472 N GLN A 34 -1.579 5.260 9.374 1.00 0.29 N ATOM 473 CA GLN A 34 -0.425 5.872 8.736 1.00 0.30 C ATOM 474 C GLN A 34 -0.121 5.073 7.476 1.00 0.29 C ATOM 475 O GLN A 34 -0.095 3.839 7.495 1.00 0.43 O ATOM 476 CB GLN A 34 0.782 5.913 9.688 1.00 0.37 C ATOM 477 CG GLN A 34 1.905 6.840 9.205 1.00 0.37 C ATOM 478 CD GLN A 34 1.520 8.308 9.350 1.00 0.48 C ATOM 479 OE1 GLN A 34 1.098 8.943 8.389 1.00 1.22 O ATOM 480 NE2 GLN A 34 1.647 8.853 10.556 1.00 1.81 N ATOM 0 H GLN A 34 -1.380 4.342 9.771 1.00 0.29 H new ATOM 0 HA GLN A 34 -0.640 6.908 8.476 1.00 0.30 H new ATOM 0 HB2 GLN A 34 0.448 6.241 10.673 1.00 0.37 H new ATOM 0 HB3 GLN A 34 1.178 4.904 9.805 1.00 0.37 H new ATOM 0 HG2 GLN A 34 2.812 6.643 9.776 1.00 0.37 H new ATOM 0 HG3 GLN A 34 2.133 6.624 8.161 1.00 0.37 H new ATOM 0 HE21 GLN A 34 2.001 8.295 11.333 1.00 1.81 H new ATOM 0 HE22 GLN A 34 1.390 9.829 10.704 1.00 1.81 H new ATOM 489 N VAL A 35 0.089 5.801 6.382 1.00 0.33 N ATOM 490 CA VAL A 35 0.484 5.283 5.095 1.00 0.40 C ATOM 491 C VAL A 35 1.968 5.583 4.924 1.00 0.30 C ATOM 492 O VAL A 35 2.386 6.722 5.121 1.00 0.46 O ATOM 493 CB VAL A 35 -0.346 5.968 3.996 1.00 0.73 C ATOM 494 CG1 VAL A 35 -1.708 5.287 3.872 1.00 1.38 C ATOM 495 CG2 VAL A 35 -0.575 7.477 4.204 1.00 2.50 C ATOM 0 H VAL A 35 -0.019 6.815 6.379 1.00 0.33 H new ATOM 0 HA VAL A 35 0.312 4.209 5.025 1.00 0.40 H new ATOM 0 HB VAL A 35 0.246 5.863 3.087 1.00 0.73 H new ATOM 0 HG11 VAL A 35 -2.290 5.777 3.092 1.00 1.38 H new ATOM 0 HG12 VAL A 35 -1.568 4.237 3.614 1.00 1.38 H new ATOM 0 HG13 VAL A 35 -2.239 5.360 4.821 1.00 1.38 H new ATOM 0 HG21 VAL A 35 -1.169 7.872 3.380 1.00 2.50 H new ATOM 0 HG22 VAL A 35 -1.104 7.639 5.143 1.00 2.50 H new ATOM 0 HG23 VAL A 35 0.386 7.990 4.236 1.00 2.50 H new ATOM 505 N GLN A 36 2.761 4.581 4.549 1.00 0.22 N ATOM 506 CA GLN A 36 4.129 4.788 4.117 1.00 0.26 C ATOM 507 C GLN A 36 4.305 4.076 2.781 1.00 0.23 C ATOM 508 O GLN A 36 4.681 2.906 2.731 1.00 0.35 O ATOM 509 CB GLN A 36 5.102 4.273 5.180 1.00 0.39 C ATOM 510 CG GLN A 36 6.559 4.577 4.800 1.00 0.54 C ATOM 511 CD GLN A 36 7.515 3.598 5.465 1.00 1.03 C ATOM 512 OE1 GLN A 36 8.261 2.888 4.789 1.00 2.63 O ATOM 513 NE2 GLN A 36 7.489 3.534 6.791 1.00 0.55 N ATOM 0 H GLN A 36 2.467 3.604 4.538 1.00 0.22 H new ATOM 0 HA GLN A 36 4.345 5.848 3.987 1.00 0.26 H new ATOM 0 HB2 GLN A 36 4.871 4.734 6.141 1.00 0.39 H new ATOM 0 HB3 GLN A 36 4.973 3.198 5.303 1.00 0.39 H new ATOM 0 HG2 GLN A 36 6.674 4.524 3.717 1.00 0.54 H new ATOM 0 HG3 GLN A 36 6.811 5.595 5.098 1.00 0.54 H new ATOM 0 HE21 GLN A 36 6.858 4.137 7.318 1.00 0.55 H new ATOM 0 HE22 GLN A 36 8.100 2.881 7.282 1.00 0.55 H new ATOM 522 N VAL A 37 4.104 4.816 1.694 1.00 0.25 N ATOM 523 CA VAL A 37 4.417 4.377 0.358 1.00 0.33 C ATOM 524 C VAL A 37 5.845 4.840 0.057 1.00 0.35 C ATOM 525 O VAL A 37 6.154 6.026 0.146 1.00 0.75 O ATOM 526 CB VAL A 37 3.359 4.985 -0.581 1.00 0.66 C ATOM 527 CG1 VAL A 37 3.436 6.513 -0.724 1.00 2.92 C ATOM 528 CG2 VAL A 37 3.445 4.322 -1.948 1.00 1.88 C ATOM 0 H VAL A 37 3.710 5.756 1.730 1.00 0.25 H new ATOM 0 HA VAL A 37 4.386 3.295 0.227 1.00 0.33 H new ATOM 0 HB VAL A 37 2.393 4.786 -0.117 1.00 0.66 H new ATOM 0 HG11 VAL A 37 2.655 6.855 -1.403 1.00 2.92 H new ATOM 0 HG12 VAL A 37 3.297 6.977 0.252 1.00 2.92 H new ATOM 0 HG13 VAL A 37 4.411 6.792 -1.123 1.00 2.92 H new ATOM 0 HG21 VAL A 37 2.695 4.755 -2.610 1.00 1.88 H new ATOM 0 HG22 VAL A 37 4.437 4.484 -2.369 1.00 1.88 H new ATOM 0 HG23 VAL A 37 3.265 3.252 -1.845 1.00 1.88 H new ATOM 538 N LEU A 38 6.740 3.896 -0.240 1.00 0.29 N ATOM 539 CA LEU A 38 8.106 4.166 -0.643 1.00 0.29 C ATOM 540 C LEU A 38 8.302 3.580 -2.044 1.00 0.28 C ATOM 541 O LEU A 38 8.846 2.487 -2.232 1.00 0.29 O ATOM 542 CB LEU A 38 9.077 3.621 0.412 1.00 0.33 C ATOM 543 CG LEU A 38 10.525 3.998 0.078 1.00 0.40 C ATOM 544 CD1 LEU A 38 10.829 5.482 0.309 1.00 0.56 C ATOM 545 CD2 LEU A 38 11.496 3.158 0.914 1.00 0.57 C ATOM 0 H LEU A 38 6.522 2.900 -0.204 1.00 0.29 H new ATOM 0 HA LEU A 38 8.316 5.234 -0.702 1.00 0.29 H new ATOM 0 HB2 LEU A 38 8.812 4.016 1.393 1.00 0.33 H new ATOM 0 HB3 LEU A 38 8.985 2.536 0.470 1.00 0.33 H new ATOM 0 HG LEU A 38 10.656 3.795 -0.985 1.00 0.40 H new ATOM 0 HD11 LEU A 38 11.869 5.684 0.054 1.00 0.56 H new ATOM 0 HD12 LEU A 38 10.177 6.089 -0.319 1.00 0.56 H new ATOM 0 HD13 LEU A 38 10.657 5.730 1.356 1.00 0.56 H new ATOM 0 HD21 LEU A 38 12.521 3.435 0.668 1.00 0.57 H new ATOM 0 HD22 LEU A 38 11.315 3.340 1.973 1.00 0.57 H new ATOM 0 HD23 LEU A 38 11.343 2.101 0.696 1.00 0.57 H new ATOM 557 N PHE A 39 7.838 4.352 -3.027 1.00 0.31 N ATOM 558 CA PHE A 39 8.079 4.110 -4.437 1.00 0.32 C ATOM 559 C PHE A 39 9.588 4.105 -4.722 1.00 0.33 C ATOM 560 O PHE A 39 10.380 4.532 -3.881 1.00 0.32 O ATOM 561 CB PHE A 39 7.346 5.188 -5.249 1.00 0.40 C ATOM 562 CG PHE A 39 8.022 6.539 -5.273 1.00 0.23 C ATOM 563 CD1 PHE A 39 7.748 7.506 -4.288 1.00 1.83 C ATOM 564 CD2 PHE A 39 8.865 6.857 -6.350 1.00 1.75 C ATOM 565 CE1 PHE A 39 8.224 8.816 -4.449 1.00 1.94 C ATOM 566 CE2 PHE A 39 9.302 8.174 -6.537 1.00 1.73 C ATOM 567 CZ PHE A 39 8.946 9.161 -5.605 1.00 0.63 C ATOM 0 H PHE A 39 7.271 5.182 -2.853 1.00 0.31 H new ATOM 0 HA PHE A 39 7.696 3.132 -4.728 1.00 0.32 H new ATOM 0 HB2 PHE A 39 7.234 4.836 -6.275 1.00 0.40 H new ATOM 0 HB3 PHE A 39 6.342 5.308 -4.842 1.00 0.40 H new ATOM 0 HD1 PHE A 39 7.174 7.241 -3.412 1.00 1.83 H new ATOM 0 HD2 PHE A 39 9.177 6.084 -7.036 1.00 1.75 H new ATOM 0 HE1 PHE A 39 8.036 9.558 -3.687 1.00 1.94 H new ATOM 0 HE2 PHE A 39 9.909 8.429 -7.393 1.00 1.73 H new ATOM 0 HZ PHE A 39 9.228 10.189 -5.776 1.00 0.63 H new ATOM 577 N ALA A 40 9.992 3.587 -5.886 1.00 0.38 N ATOM 578 CA ALA A 40 11.371 3.465 -6.362 1.00 0.39 C ATOM 579 C ALA A 40 12.143 2.380 -5.603 1.00 0.39 C ATOM 580 O ALA A 40 12.762 1.512 -6.211 1.00 0.59 O ATOM 581 CB ALA A 40 12.101 4.815 -6.370 1.00 0.42 C ATOM 0 H ALA A 40 9.322 3.219 -6.562 1.00 0.38 H new ATOM 0 HA ALA A 40 11.323 3.140 -7.401 1.00 0.39 H new ATOM 0 HB1 ALA A 40 13.120 4.675 -6.730 1.00 0.42 H new ATOM 0 HB2 ALA A 40 11.576 5.509 -7.027 1.00 0.42 H new ATOM 0 HB3 ALA A 40 12.126 5.221 -5.359 1.00 0.42 H new ATOM 587 N THR A 41 12.071 2.396 -4.270 1.00 0.32 N ATOM 588 CA THR A 41 12.463 1.264 -3.439 1.00 0.30 C ATOM 589 C THR A 41 11.410 0.149 -3.535 1.00 0.37 C ATOM 590 O THR A 41 11.671 -0.983 -3.135 1.00 0.97 O ATOM 591 CB THR A 41 12.657 1.734 -1.993 1.00 0.43 C ATOM 592 OG1 THR A 41 13.418 2.926 -1.960 1.00 0.95 O ATOM 593 CG2 THR A 41 13.389 0.699 -1.134 1.00 0.94 C ATOM 0 H THR A 41 11.737 3.200 -3.738 1.00 0.32 H new ATOM 0 HA THR A 41 13.409 0.855 -3.794 1.00 0.30 H new ATOM 0 HB THR A 41 11.657 1.891 -1.589 1.00 0.43 H new ATOM 0 HG1 THR A 41 13.802 3.045 -1.066 1.00 0.95 H new ATOM 0 HG21 THR A 41 13.500 1.082 -0.119 1.00 0.94 H new ATOM 0 HG22 THR A 41 12.815 -0.227 -1.112 1.00 0.94 H new ATOM 0 HG23 THR A 41 14.374 0.505 -1.559 1.00 0.94 H new ATOM 601 N GLU A 42 10.227 0.462 -4.078 1.00 0.51 N ATOM 602 CA GLU A 42 9.267 -0.519 -4.554 1.00 0.56 C ATOM 603 C GLU A 42 8.556 -1.234 -3.394 1.00 0.49 C ATOM 604 O GLU A 42 8.173 -2.402 -3.522 1.00 0.73 O ATOM 605 CB GLU A 42 9.979 -1.484 -5.525 1.00 0.80 C ATOM 606 CG GLU A 42 9.080 -1.918 -6.682 1.00 1.77 C ATOM 607 CD GLU A 42 8.881 -0.830 -7.727 1.00 3.62 C ATOM 608 OE1 GLU A 42 9.900 -0.339 -8.251 1.00 4.17 O ATOM 609 OE2 GLU A 42 7.702 -0.534 -8.016 1.00 5.02 O ATOM 0 H GLU A 42 9.912 1.425 -4.197 1.00 0.51 H new ATOM 0 HA GLU A 42 8.470 -0.017 -5.102 1.00 0.56 H new ATOM 0 HB2 GLU A 42 10.871 -1.001 -5.924 1.00 0.80 H new ATOM 0 HB3 GLU A 42 10.312 -2.366 -4.977 1.00 0.80 H new ATOM 0 HG2 GLU A 42 9.513 -2.797 -7.160 1.00 1.77 H new ATOM 0 HG3 GLU A 42 8.109 -2.216 -6.287 1.00 1.77 H new ATOM 616 N LYS A 43 8.331 -0.534 -2.270 1.00 0.27 N ATOM 617 CA LYS A 43 7.601 -1.108 -1.153 1.00 0.32 C ATOM 618 C LYS A 43 6.709 -0.089 -0.487 1.00 0.26 C ATOM 619 O LYS A 43 6.930 1.120 -0.551 1.00 0.41 O ATOM 620 CB LYS A 43 8.548 -1.798 -0.160 1.00 0.50 C ATOM 621 CG LYS A 43 9.287 -0.889 0.838 1.00 0.95 C ATOM 622 CD LYS A 43 8.427 -0.444 2.033 1.00 0.67 C ATOM 623 CE LYS A 43 9.269 -0.119 3.279 1.00 1.25 C ATOM 624 NZ LYS A 43 9.751 1.276 3.295 1.00 2.79 N ATOM 0 H LYS A 43 8.647 0.424 -2.121 1.00 0.27 H new ATOM 0 HA LYS A 43 6.943 -1.881 -1.550 1.00 0.32 H new ATOM 0 HB2 LYS A 43 7.972 -2.529 0.408 1.00 0.50 H new ATOM 0 HB3 LYS A 43 9.293 -2.353 -0.730 1.00 0.50 H new ATOM 0 HG2 LYS A 43 10.165 -1.415 1.212 1.00 0.95 H new ATOM 0 HG3 LYS A 43 9.645 -0.004 0.312 1.00 0.95 H new ATOM 0 HD2 LYS A 43 7.847 0.435 1.751 1.00 0.67 H new ATOM 0 HD3 LYS A 43 7.714 -1.232 2.276 1.00 0.67 H new ATOM 0 HE2 LYS A 43 8.673 -0.303 4.173 1.00 1.25 H new ATOM 0 HE3 LYS A 43 10.123 -0.794 3.321 1.00 1.25 H new ATOM 0 HZ1 LYS A 43 10.777 1.287 3.467 1.00 2.79 H new ATOM 0 HZ2 LYS A 43 9.549 1.724 2.378 1.00 2.79 H new ATOM 0 HZ3 LYS A 43 9.267 1.802 4.051 1.00 2.79 H new ATOM 638 N LEU A 44 5.692 -0.607 0.182 1.00 0.22 N ATOM 639 CA LEU A 44 4.667 0.115 0.839 1.00 0.18 C ATOM 640 C LEU A 44 4.522 -0.576 2.193 1.00 0.16 C ATOM 641 O LEU A 44 4.747 -1.777 2.298 1.00 0.25 O ATOM 642 CB LEU A 44 3.520 -0.054 -0.143 1.00 0.23 C ATOM 643 CG LEU A 44 2.134 -0.003 0.413 1.00 0.53 C ATOM 644 CD1 LEU A 44 1.903 1.210 1.285 1.00 0.86 C ATOM 645 CD2 LEU A 44 1.209 -0.006 -0.773 1.00 0.74 C ATOM 0 H LEU A 44 5.572 -1.616 0.274 1.00 0.22 H new ATOM 0 HA LEU A 44 4.791 1.175 1.060 1.00 0.18 H new ATOM 0 HB2 LEU A 44 3.608 0.722 -0.903 1.00 0.23 H new ATOM 0 HB3 LEU A 44 3.646 -1.011 -0.649 1.00 0.23 H new ATOM 0 HG LEU A 44 1.956 -0.858 1.065 1.00 0.53 H new ATOM 0 HD11 LEU A 44 0.881 1.197 1.663 1.00 0.86 H new ATOM 0 HD12 LEU A 44 2.600 1.194 2.123 1.00 0.86 H new ATOM 0 HD13 LEU A 44 2.062 2.115 0.699 1.00 0.86 H new ATOM 0 HD21 LEU A 44 0.176 0.030 -0.428 1.00 0.74 H new ATOM 0 HD22 LEU A 44 1.414 0.864 -1.397 1.00 0.74 H new ATOM 0 HD23 LEU A 44 1.366 -0.915 -1.354 1.00 0.74 H new ATOM 657 N VAL A 45 4.233 0.205 3.226 1.00 0.19 N ATOM 658 CA VAL A 45 4.078 -0.117 4.611 1.00 0.17 C ATOM 659 C VAL A 45 2.816 0.613 5.035 1.00 0.18 C ATOM 660 O VAL A 45 2.592 1.759 4.634 1.00 0.20 O ATOM 661 CB VAL A 45 5.314 0.337 5.402 1.00 0.20 C ATOM 662 CG1 VAL A 45 4.990 0.783 6.833 1.00 0.24 C ATOM 663 CG2 VAL A 45 6.253 -0.856 5.467 1.00 0.30 C ATOM 0 H VAL A 45 4.086 1.203 3.076 1.00 0.19 H new ATOM 0 HA VAL A 45 3.991 -1.187 4.797 1.00 0.17 H new ATOM 0 HB VAL A 45 5.749 1.200 4.898 1.00 0.20 H new ATOM 0 HG11 VAL A 45 5.907 1.091 7.335 1.00 0.24 H new ATOM 0 HG12 VAL A 45 4.294 1.621 6.804 1.00 0.24 H new ATOM 0 HG13 VAL A 45 4.538 -0.045 7.379 1.00 0.24 H new ATOM 0 HG21 VAL A 45 7.151 -0.583 6.022 1.00 0.30 H new ATOM 0 HG22 VAL A 45 5.754 -1.685 5.969 1.00 0.30 H new ATOM 0 HG23 VAL A 45 6.529 -1.157 4.456 1.00 0.30 H new ATOM 673 N VAL A 46 1.984 -0.071 5.805 1.00 0.22 N ATOM 674 CA VAL A 46 0.737 0.453 6.297 1.00 0.19 C ATOM 675 C VAL A 46 0.664 0.126 7.773 1.00 0.19 C ATOM 676 O VAL A 46 0.843 -1.032 8.159 1.00 0.30 O ATOM 677 CB VAL A 46 -0.419 -0.185 5.530 1.00 0.29 C ATOM 678 CG1 VAL A 46 -1.740 0.187 6.185 1.00 0.72 C ATOM 679 CG2 VAL A 46 -0.450 0.334 4.097 1.00 0.32 C ATOM 0 H VAL A 46 2.169 -1.027 6.107 1.00 0.22 H new ATOM 0 HA VAL A 46 0.671 1.532 6.155 1.00 0.19 H new ATOM 0 HB VAL A 46 -0.277 -1.266 5.538 1.00 0.29 H new ATOM 0 HG11 VAL A 46 -2.561 -0.271 5.634 1.00 0.72 H new ATOM 0 HG12 VAL A 46 -1.749 -0.172 7.214 1.00 0.72 H new ATOM 0 HG13 VAL A 46 -1.858 1.271 6.177 1.00 0.72 H new ATOM 0 HG21 VAL A 46 -1.279 -0.128 3.560 1.00 0.32 H new ATOM 0 HG22 VAL A 46 -0.581 1.416 4.105 1.00 0.32 H new ATOM 0 HG23 VAL A 46 0.488 0.086 3.600 1.00 0.32 H new ATOM 689 N ASP A 47 0.364 1.148 8.568 1.00 0.17 N ATOM 690 CA ASP A 47 0.186 1.007 9.989 1.00 0.19 C ATOM 691 C ASP A 47 -1.318 1.102 10.193 1.00 0.21 C ATOM 692 O ASP A 47 -1.870 2.207 10.185 1.00 0.36 O ATOM 693 CB ASP A 47 0.946 2.130 10.691 1.00 0.27 C ATOM 694 CG ASP A 47 2.452 2.132 10.423 1.00 1.03 C ATOM 695 OD1 ASP A 47 2.993 1.074 10.027 1.00 1.82 O ATOM 696 OD2 ASP A 47 3.043 3.219 10.598 1.00 2.40 O ATOM 0 H ASP A 47 0.239 2.102 8.230 1.00 0.17 H new ATOM 0 HA ASP A 47 0.569 0.073 10.399 1.00 0.19 H new ATOM 0 HB2 ASP A 47 0.531 3.087 10.375 1.00 0.27 H new ATOM 0 HB3 ASP A 47 0.780 2.050 11.765 1.00 0.27 H new ATOM 701 N ALA A 48 -1.988 -0.050 10.276 1.00 0.24 N ATOM 702 CA ALA A 48 -3.437 -0.158 10.365 1.00 0.30 C ATOM 703 C ALA A 48 -3.833 -0.794 11.691 1.00 0.46 C ATOM 704 O ALA A 48 -3.316 -1.857 12.031 1.00 0.67 O ATOM 705 CB ALA A 48 -3.967 -1.016 9.214 1.00 0.29 C ATOM 0 H ALA A 48 -1.519 -0.956 10.283 1.00 0.24 H new ATOM 0 HA ALA A 48 -3.867 0.842 10.302 1.00 0.30 H new ATOM 0 HB1 ALA A 48 -5.052 -1.093 9.287 1.00 0.29 H new ATOM 0 HB2 ALA A 48 -3.699 -0.555 8.263 1.00 0.29 H new ATOM 0 HB3 ALA A 48 -3.528 -2.012 9.271 1.00 0.29 H new ATOM 711 N ASP A 49 -4.792 -0.181 12.391 1.00 0.52 N ATOM 712 CA ASP A 49 -5.262 -0.642 13.698 1.00 0.69 C ATOM 713 C ASP A 49 -6.648 -1.246 13.513 1.00 0.68 C ATOM 714 O ASP A 49 -7.628 -0.847 14.137 1.00 0.79 O ATOM 715 CB ASP A 49 -5.249 0.495 14.734 1.00 0.89 C ATOM 716 CG ASP A 49 -3.851 0.792 15.254 1.00 1.29 C ATOM 717 OD1 ASP A 49 -2.952 0.920 14.396 1.00 2.34 O ATOM 718 OD2 ASP A 49 -3.700 0.887 16.490 1.00 1.95 O ATOM 0 H ASP A 49 -5.268 0.659 12.061 1.00 0.52 H new ATOM 0 HA ASP A 49 -4.590 -1.404 14.093 1.00 0.69 H new ATOM 0 HB2 ASP A 49 -5.665 1.397 14.285 1.00 0.89 H new ATOM 0 HB3 ASP A 49 -5.895 0.228 15.570 1.00 0.89 H new ATOM 723 N ASN A 50 -6.703 -2.248 12.642 1.00 0.58 N ATOM 724 CA ASN A 50 -7.841 -3.113 12.413 1.00 0.50 C ATOM 725 C ASN A 50 -7.238 -4.276 11.640 1.00 0.46 C ATOM 726 O ASN A 50 -6.430 -5.015 12.197 1.00 0.89 O ATOM 727 CB ASN A 50 -8.958 -2.360 11.667 1.00 0.61 C ATOM 728 CG ASN A 50 -10.149 -3.259 11.337 1.00 1.64 C ATOM 729 OD1 ASN A 50 -10.362 -3.581 10.058 1.00 2.33 O flip ATOM 730 ND2 ASN A 50 -10.878 -3.677 12.228 1.00 2.43 N flip ATOM 0 H ASN A 50 -5.909 -2.486 12.048 1.00 0.58 H new ATOM 0 HA ASN A 50 -8.337 -3.462 13.319 1.00 0.50 H new ATOM 0 HB2 ASN A 50 -9.297 -1.522 12.276 1.00 0.61 H new ATOM 0 HB3 ASN A 50 -8.556 -1.941 10.744 1.00 0.61 H new ATOM 0 HD21 ASN A 50 -10.697 -3.419 13.198 1.00 2.43 H new ATOM 0 HD22 ASN A 50 -11.666 -4.283 12.000 1.00 2.43 H new ATOM 737 N ASP A 51 -7.526 -4.362 10.343 1.00 0.37 N ATOM 738 CA ASP A 51 -6.962 -5.299 9.401 1.00 0.43 C ATOM 739 C ASP A 51 -7.574 -4.956 8.046 1.00 0.38 C ATOM 740 O ASP A 51 -8.790 -5.028 7.878 1.00 0.74 O ATOM 741 CB ASP A 51 -7.296 -6.740 9.803 1.00 0.68 C ATOM 742 CG ASP A 51 -6.207 -7.736 9.420 1.00 1.16 C ATOM 743 OD1 ASP A 51 -5.044 -7.316 9.231 1.00 2.16 O ATOM 744 OD2 ASP A 51 -6.486 -8.945 9.363 1.00 1.77 O ATOM 0 H ASP A 51 -8.202 -3.736 9.905 1.00 0.37 H new ATOM 0 HA ASP A 51 -5.875 -5.228 9.372 1.00 0.43 H new ATOM 0 HB2 ASP A 51 -7.456 -6.782 10.880 1.00 0.68 H new ATOM 0 HB3 ASP A 51 -8.233 -7.035 9.330 1.00 0.68 H new ATOM 749 N ILE A 52 -6.752 -4.487 7.114 1.00 0.31 N ATOM 750 CA ILE A 52 -7.193 -4.063 5.788 1.00 0.29 C ATOM 751 C ILE A 52 -6.240 -4.533 4.701 1.00 0.33 C ATOM 752 O ILE A 52 -6.394 -4.163 3.551 1.00 0.32 O ATOM 753 CB ILE A 52 -7.329 -2.536 5.721 1.00 0.31 C ATOM 754 CG1 ILE A 52 -6.163 -1.788 6.379 1.00 0.35 C ATOM 755 CG2 ILE A 52 -8.636 -2.056 6.324 1.00 0.34 C ATOM 756 CD1 ILE A 52 -4.945 -1.810 5.478 1.00 0.38 C ATOM 0 H ILE A 52 -5.747 -4.389 7.259 1.00 0.31 H new ATOM 0 HA ILE A 52 -8.167 -4.521 5.615 1.00 0.29 H new ATOM 0 HB ILE A 52 -7.314 -2.302 4.656 1.00 0.31 H new ATOM 0 HG12 ILE A 52 -6.453 -0.757 6.584 1.00 0.35 H new ATOM 0 HG13 ILE A 52 -5.922 -2.248 7.338 1.00 0.35 H new ATOM 0 HG21 ILE A 52 -8.691 -0.970 6.256 1.00 0.34 H new ATOM 0 HG22 ILE A 52 -9.471 -2.496 5.780 1.00 0.34 H new ATOM 0 HG23 ILE A 52 -8.686 -2.357 7.371 1.00 0.34 H new ATOM 0 HD11 ILE A 52 -4.126 -1.275 5.960 1.00 0.38 H new ATOM 0 HD12 ILE A 52 -4.646 -2.842 5.295 1.00 0.38 H new ATOM 0 HD13 ILE A 52 -5.185 -1.329 4.530 1.00 0.38 H new ATOM 768 N ARG A 53 -5.217 -5.305 5.034 1.00 0.48 N ATOM 769 CA ARG A 53 -4.124 -5.619 4.109 1.00 0.38 C ATOM 770 C ARG A 53 -4.679 -6.273 2.862 1.00 0.31 C ATOM 771 O ARG A 53 -4.330 -5.912 1.746 1.00 0.29 O ATOM 772 CB ARG A 53 -3.077 -6.554 4.720 1.00 0.45 C ATOM 773 CG ARG A 53 -3.275 -6.685 6.217 1.00 0.54 C ATOM 774 CD ARG A 53 -2.196 -7.545 6.832 1.00 0.94 C ATOM 775 NE ARG A 53 -2.823 -8.117 8.030 1.00 1.33 N ATOM 776 CZ ARG A 53 -2.483 -9.141 8.806 1.00 1.91 C ATOM 777 NH1 ARG A 53 -1.362 -9.825 8.569 1.00 2.32 N ATOM 778 NH2 ARG A 53 -3.310 -9.436 9.812 1.00 2.34 N ATOM 0 H ARG A 53 -5.115 -5.735 5.953 1.00 0.48 H new ATOM 0 HA ARG A 53 -3.635 -4.674 3.874 1.00 0.38 H new ATOM 0 HB2 ARG A 53 -3.145 -7.537 4.253 1.00 0.45 H new ATOM 0 HB3 ARG A 53 -2.077 -6.171 4.514 1.00 0.45 H new ATOM 0 HG2 ARG A 53 -3.264 -5.697 6.677 1.00 0.54 H new ATOM 0 HG3 ARG A 53 -4.253 -7.121 6.421 1.00 0.54 H new ATOM 0 HD2 ARG A 53 -1.869 -8.325 6.144 1.00 0.94 H new ATOM 0 HD3 ARG A 53 -1.315 -6.955 7.087 1.00 0.94 H new ATOM 0 HE ARG A 53 -3.677 -7.641 8.320 1.00 1.33 H new ATOM 0 HH11 ARG A 53 -0.760 -9.563 7.788 1.00 2.32 H new ATOM 0 HH12 ARG A 53 -1.107 -10.610 9.169 1.00 2.32 H new ATOM 0 HH21 ARG A 53 -4.156 -8.885 9.955 1.00 2.34 H new ATOM 0 HH22 ARG A 53 -3.096 -10.213 10.437 1.00 2.34 H new ATOM 792 N ALA A 54 -5.577 -7.230 3.076 1.00 0.35 N ATOM 793 CA ALA A 54 -6.222 -7.919 1.986 1.00 0.33 C ATOM 794 C ALA A 54 -7.164 -6.984 1.204 1.00 0.38 C ATOM 795 O ALA A 54 -7.508 -7.256 0.058 1.00 0.69 O ATOM 796 CB ALA A 54 -6.841 -9.209 2.499 1.00 0.45 C ATOM 0 H ALA A 54 -5.869 -7.540 4.003 1.00 0.35 H new ATOM 0 HA ALA A 54 -5.491 -8.221 1.236 1.00 0.33 H new ATOM 0 HB1 ALA A 54 -7.329 -9.731 1.676 1.00 0.45 H new ATOM 0 HB2 ALA A 54 -6.062 -9.844 2.920 1.00 0.45 H new ATOM 0 HB3 ALA A 54 -7.577 -8.978 3.269 1.00 0.45 H new ATOM 802 N GLN A 55 -7.561 -5.852 1.801 1.00 0.23 N ATOM 803 CA GLN A 55 -8.109 -4.734 1.049 1.00 0.24 C ATOM 804 C GLN A 55 -7.021 -3.957 0.304 1.00 0.23 C ATOM 805 O GLN A 55 -7.220 -3.639 -0.861 1.00 0.27 O ATOM 806 CB GLN A 55 -8.990 -3.815 1.900 1.00 0.41 C ATOM 807 CG GLN A 55 -10.312 -4.483 2.313 1.00 0.69 C ATOM 808 CD GLN A 55 -10.337 -4.888 3.782 1.00 1.43 C ATOM 809 OE1 GLN A 55 -10.915 -4.191 4.608 1.00 2.78 O ATOM 810 NE2 GLN A 55 -9.721 -6.014 4.130 1.00 2.15 N ATOM 0 H GLN A 55 -7.509 -5.694 2.807 1.00 0.23 H new ATOM 0 HA GLN A 55 -8.767 -5.169 0.297 1.00 0.24 H new ATOM 0 HB2 GLN A 55 -8.442 -3.518 2.794 1.00 0.41 H new ATOM 0 HB3 GLN A 55 -9.206 -2.904 1.341 1.00 0.41 H new ATOM 0 HG2 GLN A 55 -11.137 -3.798 2.116 1.00 0.69 H new ATOM 0 HG3 GLN A 55 -10.476 -5.366 1.695 1.00 0.69 H new ATOM 0 HE21 GLN A 55 -9.247 -6.576 3.423 1.00 2.15 H new ATOM 0 HE22 GLN A 55 -9.722 -6.316 5.104 1.00 2.15 H new ATOM 819 N VAL A 56 -5.888 -3.639 0.937 1.00 0.21 N ATOM 820 CA VAL A 56 -4.804 -2.902 0.298 1.00 0.24 C ATOM 821 C VAL A 56 -4.396 -3.594 -0.987 1.00 0.23 C ATOM 822 O VAL A 56 -4.339 -2.979 -2.045 1.00 0.25 O ATOM 823 CB VAL A 56 -3.570 -2.765 1.176 1.00 0.31 C ATOM 824 CG1 VAL A 56 -2.417 -2.091 0.413 1.00 0.30 C ATOM 825 CG2 VAL A 56 -3.946 -1.978 2.424 1.00 0.43 C ATOM 0 H VAL A 56 -5.700 -3.888 1.908 1.00 0.21 H new ATOM 0 HA VAL A 56 -5.191 -1.901 0.106 1.00 0.24 H new ATOM 0 HB VAL A 56 -3.217 -3.754 1.466 1.00 0.31 H new ATOM 0 HG11 VAL A 56 -1.549 -2.007 1.066 1.00 0.30 H new ATOM 0 HG12 VAL A 56 -2.158 -2.691 -0.459 1.00 0.30 H new ATOM 0 HG13 VAL A 56 -2.726 -1.097 0.091 1.00 0.30 H new ATOM 0 HG21 VAL A 56 -3.070 -1.871 3.064 1.00 0.43 H new ATOM 0 HG22 VAL A 56 -4.308 -0.991 2.136 1.00 0.43 H new ATOM 0 HG23 VAL A 56 -4.729 -2.508 2.966 1.00 0.43 H new ATOM 835 N GLU A 57 -4.065 -4.875 -0.865 1.00 0.24 N ATOM 836 CA GLU A 57 -3.500 -5.640 -1.949 1.00 0.29 C ATOM 837 C GLU A 57 -4.473 -5.652 -3.128 1.00 0.28 C ATOM 838 O GLU A 57 -4.132 -5.201 -4.223 1.00 0.28 O ATOM 839 CB GLU A 57 -3.022 -6.995 -1.402 1.00 0.36 C ATOM 840 CG GLU A 57 -4.104 -7.870 -0.781 1.00 0.81 C ATOM 841 CD GLU A 57 -4.667 -8.890 -1.756 1.00 1.80 C ATOM 842 OE1 GLU A 57 -3.924 -9.847 -2.065 1.00 2.31 O ATOM 843 OE2 GLU A 57 -5.821 -8.677 -2.182 1.00 3.10 O ATOM 0 H GLU A 57 -4.185 -5.406 -0.003 1.00 0.24 H new ATOM 0 HA GLU A 57 -2.601 -5.190 -2.370 1.00 0.29 H new ATOM 0 HB2 GLU A 57 -2.552 -7.550 -2.214 1.00 0.36 H new ATOM 0 HB3 GLU A 57 -2.252 -6.813 -0.653 1.00 0.36 H new ATOM 0 HG2 GLU A 57 -3.693 -8.390 0.084 1.00 0.81 H new ATOM 0 HG3 GLU A 57 -4.913 -7.237 -0.417 1.00 0.81 H new ATOM 850 N SER A 58 -5.721 -6.043 -2.868 1.00 0.35 N ATOM 851 CA SER A 58 -6.820 -5.923 -3.807 1.00 0.39 C ATOM 852 C SER A 58 -6.895 -4.501 -4.373 1.00 0.35 C ATOM 853 O SER A 58 -7.037 -4.325 -5.578 1.00 0.39 O ATOM 854 CB SER A 58 -8.130 -6.329 -3.118 1.00 0.46 C ATOM 855 OG SER A 58 -9.164 -6.495 -4.076 1.00 0.92 O ATOM 0 H SER A 58 -5.994 -6.460 -1.978 1.00 0.35 H new ATOM 0 HA SER A 58 -6.652 -6.595 -4.648 1.00 0.39 H new ATOM 0 HB2 SER A 58 -7.985 -7.258 -2.566 1.00 0.46 H new ATOM 0 HB3 SER A 58 -8.417 -5.568 -2.392 1.00 0.46 H new ATOM 0 HG SER A 58 -9.992 -6.755 -3.622 1.00 0.92 H new ATOM 861 N ALA A 59 -6.798 -3.475 -3.525 1.00 0.31 N ATOM 862 CA ALA A 59 -7.013 -2.088 -3.931 1.00 0.33 C ATOM 863 C ALA A 59 -5.940 -1.653 -4.925 1.00 0.28 C ATOM 864 O ALA A 59 -6.242 -1.079 -5.967 1.00 0.29 O ATOM 865 CB ALA A 59 -7.049 -1.154 -2.717 1.00 0.37 C ATOM 0 H ALA A 59 -6.568 -3.584 -2.537 1.00 0.31 H new ATOM 0 HA ALA A 59 -7.984 -2.024 -4.423 1.00 0.33 H new ATOM 0 HB1 ALA A 59 -7.210 -0.129 -3.051 1.00 0.37 H new ATOM 0 HB2 ALA A 59 -7.861 -1.451 -2.053 1.00 0.37 H new ATOM 0 HB3 ALA A 59 -6.101 -1.216 -2.182 1.00 0.37 H new ATOM 871 N LEU A 60 -4.683 -1.948 -4.613 1.00 0.24 N ATOM 872 CA LEU A 60 -3.544 -1.681 -5.473 1.00 0.20 C ATOM 873 C LEU A 60 -3.647 -2.496 -6.759 1.00 0.22 C ATOM 874 O LEU A 60 -3.383 -1.988 -7.847 1.00 0.25 O ATOM 875 CB LEU A 60 -2.258 -1.984 -4.696 1.00 0.17 C ATOM 876 CG LEU A 60 -1.704 -0.690 -4.091 1.00 0.30 C ATOM 877 CD1 LEU A 60 -2.696 -0.001 -3.157 1.00 0.44 C ATOM 878 CD2 LEU A 60 -0.457 -0.928 -3.251 1.00 0.54 C ATOM 0 H LEU A 60 -4.425 -2.391 -3.731 1.00 0.24 H new ATOM 0 HA LEU A 60 -3.529 -0.632 -5.767 1.00 0.20 H new ATOM 0 HB2 LEU A 60 -2.460 -2.708 -3.907 1.00 0.17 H new ATOM 0 HB3 LEU A 60 -1.518 -2.433 -5.359 1.00 0.17 H new ATOM 0 HG LEU A 60 -1.487 -0.069 -4.960 1.00 0.30 H new ATOM 0 HD11 LEU A 60 -2.248 0.910 -2.759 1.00 0.44 H new ATOM 0 HD12 LEU A 60 -3.601 0.251 -3.710 1.00 0.44 H new ATOM 0 HD13 LEU A 60 -2.948 -0.671 -2.335 1.00 0.44 H new ATOM 0 HD21 LEU A 60 -0.105 0.021 -2.846 1.00 0.54 H new ATOM 0 HD22 LEU A 60 -0.694 -1.607 -2.432 1.00 0.54 H new ATOM 0 HD23 LEU A 60 0.322 -1.368 -3.873 1.00 0.54 H new ATOM 890 N GLN A 61 -4.054 -3.756 -6.646 1.00 0.25 N ATOM 891 CA GLN A 61 -4.298 -4.599 -7.799 1.00 0.31 C ATOM 892 C GLN A 61 -5.375 -3.986 -8.702 1.00 0.36 C ATOM 893 O GLN A 61 -5.208 -3.953 -9.918 1.00 0.41 O ATOM 894 CB GLN A 61 -4.611 -6.015 -7.312 1.00 0.35 C ATOM 895 CG GLN A 61 -4.798 -6.982 -8.478 1.00 0.51 C ATOM 896 CD GLN A 61 -4.674 -8.427 -8.015 1.00 1.01 C ATOM 897 OE1 GLN A 61 -5.662 -9.148 -7.929 1.00 1.46 O ATOM 898 NE2 GLN A 61 -3.452 -8.859 -7.711 1.00 1.33 N ATOM 0 H GLN A 61 -4.222 -4.216 -5.751 1.00 0.25 H new ATOM 0 HA GLN A 61 -3.411 -4.666 -8.429 1.00 0.31 H new ATOM 0 HB2 GLN A 61 -3.802 -6.368 -6.672 1.00 0.35 H new ATOM 0 HB3 GLN A 61 -5.515 -5.999 -6.703 1.00 0.35 H new ATOM 0 HG2 GLN A 61 -5.776 -6.825 -8.932 1.00 0.51 H new ATOM 0 HG3 GLN A 61 -4.053 -6.778 -9.247 1.00 0.51 H new ATOM 0 HE21 GLN A 61 -2.653 -8.230 -7.795 1.00 1.33 H new ATOM 0 HE22 GLN A 61 -3.314 -9.819 -7.394 1.00 1.33 H new ATOM 907 N LYS A 62 -6.456 -3.461 -8.117 1.00 0.38 N ATOM 908 CA LYS A 62 -7.485 -2.733 -8.853 1.00 0.46 C ATOM 909 C LYS A 62 -6.886 -1.475 -9.496 1.00 0.46 C ATOM 910 O LYS A 62 -7.117 -1.212 -10.674 1.00 0.56 O ATOM 911 CB LYS A 62 -8.671 -2.360 -7.940 1.00 0.56 C ATOM 912 CG LYS A 62 -9.841 -3.355 -7.978 1.00 0.87 C ATOM 913 CD LYS A 62 -9.521 -4.669 -7.253 1.00 1.78 C ATOM 914 CE LYS A 62 -10.655 -5.697 -7.351 1.00 2.55 C ATOM 915 NZ LYS A 62 -11.832 -5.305 -6.549 1.00 2.86 N ATOM 0 H LYS A 62 -6.639 -3.531 -7.116 1.00 0.38 H new ATOM 0 HA LYS A 62 -7.864 -3.386 -9.639 1.00 0.46 H new ATOM 0 HB2 LYS A 62 -8.312 -2.280 -6.914 1.00 0.56 H new ATOM 0 HB3 LYS A 62 -9.039 -1.375 -8.227 1.00 0.56 H new ATOM 0 HG2 LYS A 62 -10.718 -2.897 -7.521 1.00 0.87 H new ATOM 0 HG3 LYS A 62 -10.097 -3.570 -9.015 1.00 0.87 H new ATOM 0 HD2 LYS A 62 -8.611 -5.098 -7.674 1.00 1.78 H new ATOM 0 HD3 LYS A 62 -9.318 -4.459 -6.203 1.00 1.78 H new ATOM 0 HE2 LYS A 62 -10.950 -5.812 -8.394 1.00 2.55 H new ATOM 0 HE3 LYS A 62 -10.294 -6.668 -7.013 1.00 2.55 H new ATOM 0 HZ1 LYS A 62 -12.574 -6.028 -6.644 1.00 2.86 H new ATOM 0 HZ2 LYS A 62 -11.558 -5.220 -5.549 1.00 2.86 H new ATOM 0 HZ3 LYS A 62 -12.194 -4.391 -6.888 1.00 2.86 H new ATOM 929 N ALA A 63 -6.146 -0.683 -8.715 1.00 0.40 N ATOM 930 CA ALA A 63 -5.543 0.564 -9.170 1.00 0.42 C ATOM 931 C ALA A 63 -4.596 0.322 -10.348 1.00 0.41 C ATOM 932 O ALA A 63 -4.535 1.138 -11.265 1.00 0.47 O ATOM 933 CB ALA A 63 -4.828 1.256 -8.005 1.00 0.40 C ATOM 0 H ALA A 63 -5.949 -0.896 -7.737 1.00 0.40 H new ATOM 0 HA ALA A 63 -6.333 1.225 -9.526 1.00 0.42 H new ATOM 0 HB1 ALA A 63 -4.380 2.187 -8.354 1.00 0.40 H new ATOM 0 HB2 ALA A 63 -5.546 1.473 -7.214 1.00 0.40 H new ATOM 0 HB3 ALA A 63 -4.048 0.601 -7.617 1.00 0.40 H new ATOM 939 N GLY A 64 -3.872 -0.800 -10.316 1.00 0.38 N ATOM 940 CA GLY A 64 -3.091 -1.314 -11.432 1.00 0.40 C ATOM 941 C GLY A 64 -1.637 -1.567 -11.042 1.00 0.36 C ATOM 942 O GLY A 64 -0.732 -1.230 -11.801 1.00 0.46 O ATOM 0 H GLY A 64 -3.815 -1.390 -9.486 1.00 0.38 H new ATOM 0 HA2 GLY A 64 -3.537 -2.242 -11.790 1.00 0.40 H new ATOM 0 HA3 GLY A 64 -3.127 -0.603 -12.258 1.00 0.40 H new ATOM 946 N TYR A 65 -1.408 -2.169 -9.872 1.00 0.27 N ATOM 947 CA TYR A 65 -0.094 -2.558 -9.394 1.00 0.26 C ATOM 948 C TYR A 65 -0.046 -4.071 -9.180 1.00 0.31 C ATOM 949 O TYR A 65 -1.073 -4.743 -9.192 1.00 0.55 O ATOM 950 CB TYR A 65 0.175 -1.809 -8.091 1.00 0.24 C ATOM 951 CG TYR A 65 0.238 -0.304 -8.252 1.00 0.27 C ATOM 952 CD1 TYR A 65 1.386 0.301 -8.797 1.00 1.86 C ATOM 953 CD2 TYR A 65 -0.888 0.481 -7.950 1.00 1.80 C ATOM 954 CE1 TYR A 65 1.412 1.688 -9.015 1.00 1.84 C ATOM 955 CE2 TYR A 65 -0.871 1.865 -8.195 1.00 1.86 C ATOM 956 CZ TYR A 65 0.287 2.470 -8.710 1.00 0.45 C ATOM 957 OH TYR A 65 0.343 3.824 -8.869 1.00 0.59 O ATOM 0 H TYR A 65 -2.156 -2.402 -9.219 1.00 0.27 H new ATOM 0 HA TYR A 65 0.674 -2.304 -10.125 1.00 0.26 H new ATOM 0 HB2 TYR A 65 -0.607 -2.056 -7.373 1.00 0.24 H new ATOM 0 HB3 TYR A 65 1.117 -2.160 -7.669 1.00 0.24 H new ATOM 0 HD1 TYR A 65 2.247 -0.301 -9.047 1.00 1.86 H new ATOM 0 HD2 TYR A 65 -1.769 0.020 -7.529 1.00 1.80 H new ATOM 0 HE1 TYR A 65 2.299 2.154 -9.418 1.00 1.84 H new ATOM 0 HE2 TYR A 65 -1.747 2.462 -7.988 1.00 1.86 H new ATOM 0 HH TYR A 65 -0.517 4.219 -8.616 1.00 0.59 H new ATOM 967 N SER A 66 1.160 -4.604 -8.970 1.00 0.32 N ATOM 968 CA SER A 66 1.407 -6.022 -8.741 1.00 0.39 C ATOM 969 C SER A 66 2.100 -6.187 -7.394 1.00 0.41 C ATOM 970 O SER A 66 3.264 -6.576 -7.335 1.00 0.63 O ATOM 971 CB SER A 66 2.250 -6.592 -9.888 1.00 0.60 C ATOM 972 OG SER A 66 1.527 -6.497 -11.099 1.00 1.39 O ATOM 0 H SER A 66 2.012 -4.043 -8.955 1.00 0.32 H new ATOM 0 HA SER A 66 0.469 -6.576 -8.717 1.00 0.39 H new ATOM 0 HB2 SER A 66 3.189 -6.045 -9.969 1.00 0.60 H new ATOM 0 HB3 SER A 66 2.504 -7.632 -9.685 1.00 0.60 H new ATOM 0 HG SER A 66 2.067 -6.860 -11.832 1.00 1.39 H new ATOM 978 N LEU A 67 1.386 -5.875 -6.312 1.00 0.32 N ATOM 979 CA LEU A 67 1.923 -6.066 -4.972 1.00 0.42 C ATOM 980 C LEU A 67 1.800 -7.506 -4.492 1.00 0.48 C ATOM 981 O LEU A 67 1.056 -8.297 -5.069 1.00 0.57 O ATOM 982 CB LEU A 67 1.430 -5.055 -3.958 1.00 0.44 C ATOM 983 CG LEU A 67 0.244 -5.515 -3.134 1.00 0.54 C ATOM 984 CD1 LEU A 67 -0.014 -4.305 -2.248 1.00 1.68 C ATOM 985 CD2 LEU A 67 -0.938 -5.816 -4.044 1.00 1.60 C ATOM 0 H LEU A 67 0.441 -5.492 -6.340 1.00 0.32 H new ATOM 0 HA LEU A 67 2.990 -5.864 -5.061 1.00 0.42 H new ATOM 0 HB2 LEU A 67 2.250 -4.807 -3.284 1.00 0.44 H new ATOM 0 HB3 LEU A 67 1.159 -4.138 -4.481 1.00 0.44 H new ATOM 0 HG LEU A 67 0.410 -6.430 -2.566 1.00 0.54 H new ATOM 0 HD11 LEU A 67 -0.861 -4.508 -1.592 1.00 1.68 H new ATOM 0 HD12 LEU A 67 0.871 -4.100 -1.645 1.00 1.68 H new ATOM 0 HD13 LEU A 67 -0.237 -3.439 -2.871 1.00 1.68 H new ATOM 0 HD21 LEU A 67 -1.785 -6.146 -3.443 1.00 1.60 H new ATOM 0 HD22 LEU A 67 -1.212 -4.916 -4.594 1.00 1.60 H new ATOM 0 HD23 LEU A 67 -0.664 -6.602 -4.748 1.00 1.60 H new ATOM 997 N ARG A 68 2.501 -7.829 -3.404 1.00 0.48 N ATOM 998 CA ARG A 68 2.312 -9.084 -2.706 1.00 0.57 C ATOM 999 C ARG A 68 2.744 -8.930 -1.245 1.00 0.41 C ATOM 1000 O ARG A 68 3.639 -8.129 -0.964 1.00 0.35 O ATOM 1001 CB ARG A 68 3.070 -10.187 -3.458 1.00 0.81 C ATOM 1002 CG ARG A 68 2.822 -11.547 -2.808 1.00 0.96 C ATOM 1003 CD ARG A 68 2.902 -12.686 -3.832 1.00 1.10 C ATOM 1004 NE ARG A 68 4.209 -12.718 -4.510 1.00 2.19 N ATOM 1005 CZ ARG A 68 4.480 -13.407 -5.632 1.00 3.25 C ATOM 1006 NH1 ARG A 68 3.531 -14.153 -6.207 1.00 3.20 N ATOM 1007 NH2 ARG A 68 5.704 -13.348 -6.173 1.00 5.09 N ATOM 0 H ARG A 68 3.211 -7.225 -2.990 1.00 0.48 H new ATOM 0 HA ARG A 68 1.261 -9.372 -2.686 1.00 0.57 H new ATOM 0 HB2 ARG A 68 2.749 -10.211 -4.499 1.00 0.81 H new ATOM 0 HB3 ARG A 68 4.138 -9.967 -3.458 1.00 0.81 H new ATOM 0 HG2 ARG A 68 3.556 -11.713 -2.020 1.00 0.96 H new ATOM 0 HG3 ARG A 68 1.840 -11.551 -2.335 1.00 0.96 H new ATOM 0 HD2 ARG A 68 2.728 -13.638 -3.331 1.00 1.10 H new ATOM 0 HD3 ARG A 68 2.111 -12.566 -4.572 1.00 1.10 H new ATOM 0 HE ARG A 68 4.967 -12.175 -4.096 1.00 2.19 H new ATOM 0 HH11 ARG A 68 2.599 -14.200 -5.794 1.00 3.20 H new ATOM 0 HH12 ARG A 68 3.739 -14.675 -7.058 1.00 3.20 H new ATOM 0 HH21 ARG A 68 6.429 -12.781 -5.734 1.00 5.09 H new ATOM 0 HH22 ARG A 68 5.911 -13.870 -7.024 1.00 5.09 H new ATOM 1021 N ASP A 69 2.079 -9.670 -0.340 1.00 0.44 N ATOM 1022 CA ASP A 69 2.297 -9.663 1.108 1.00 0.47 C ATOM 1023 C ASP A 69 3.778 -9.709 1.453 1.00 0.41 C ATOM 1024 O ASP A 69 4.497 -10.595 0.977 1.00 0.59 O ATOM 1025 CB ASP A 69 1.572 -10.827 1.787 1.00 0.68 C ATOM 1026 CG ASP A 69 1.810 -10.757 3.293 1.00 1.64 C ATOM 1027 OD1 ASP A 69 2.911 -11.175 3.717 1.00 2.44 O ATOM 1028 OD2 ASP A 69 0.914 -10.228 3.985 1.00 2.80 O ATOM 0 H ASP A 69 1.341 -10.318 -0.617 1.00 0.44 H new ATOM 0 HA ASP A 69 1.884 -8.726 1.483 1.00 0.47 H new ATOM 0 HB2 ASP A 69 0.504 -10.780 1.573 1.00 0.68 H new ATOM 0 HB3 ASP A 69 1.935 -11.776 1.393 1.00 0.68 H new ATOM 1033 N GLU A 70 4.234 -8.758 2.271 1.00 0.40 N ATOM 1034 CA GLU A 70 5.605 -8.702 2.725 1.00 0.52 C ATOM 1035 C GLU A 70 5.664 -8.842 4.249 1.00 0.64 C ATOM 1036 O GLU A 70 6.305 -8.047 4.930 1.00 0.74 O ATOM 1037 CB GLU A 70 6.212 -7.398 2.208 1.00 0.74 C ATOM 1038 CG GLU A 70 7.646 -7.604 1.744 1.00 0.95 C ATOM 1039 CD GLU A 70 8.357 -6.295 1.416 1.00 1.22 C ATOM 1040 OE1 GLU A 70 7.835 -5.232 1.819 1.00 2.34 O ATOM 1041 OE2 GLU A 70 9.408 -6.400 0.753 1.00 1.56 O ATOM 0 H GLU A 70 3.650 -8.005 2.634 1.00 0.40 H new ATOM 0 HA GLU A 70 6.193 -9.531 2.332 1.00 0.52 H new ATOM 0 HB2 GLU A 70 5.611 -7.016 1.382 1.00 0.74 H new ATOM 0 HB3 GLU A 70 6.187 -6.645 2.995 1.00 0.74 H new ATOM 0 HG2 GLU A 70 8.202 -8.129 2.521 1.00 0.95 H new ATOM 0 HG3 GLU A 70 7.649 -8.244 0.862 1.00 0.95 H new