USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 263 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ -169:sc= 0 (180deg=-0.161) USER MOD Single : A 1 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -0.0581 X(o=-0.058,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 148:sc= -1.12 (180deg=-2.19!) USER MOD Single : A 12 LYS NZ :NH3+ -169:sc= 0 (180deg=-0.0686) USER MOD Single : A 14 LYS NZ :NH3+ -160:sc= -1.12 (180deg=-1.77) USER MOD Single : A 16 ASN : amide:sc= -0.101 K(o=-0.1,f=-1.7!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.363 K(o=-0.36,f=-1.9!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.747 X(o=-0.75,f=-1.1) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.905 8.348 -4.337 1.00 0.00 N ATOM 2 CA LYS A 1 24.779 9.002 -5.060 1.00 0.00 C ATOM 3 C LYS A 1 23.754 7.950 -5.474 1.00 0.00 C ATOM 4 O LYS A 1 22.550 8.198 -5.429 1.00 0.00 O ATOM 5 CB LYS A 1 25.317 9.733 -6.294 1.00 0.00 C ATOM 6 CG LYS A 1 25.999 11.035 -5.869 1.00 0.00 C ATOM 7 CD LYS A 1 26.577 11.735 -7.101 1.00 0.00 C ATOM 8 CE LYS A 1 27.160 13.091 -6.700 1.00 0.00 C ATOM 9 NZ LYS A 1 27.734 13.760 -7.900 1.00 0.00 N ATOM 0 H1 LYS A 1 26.504 9.075 -3.896 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.526 7.719 -3.601 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.473 7.793 -5.008 1.00 0.00 H new ATOM 0 HA LYS A 1 24.295 9.725 -4.403 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.026 9.097 -6.825 1.00 0.00 H new ATOM 0 HB3 LYS A 1 24.502 9.948 -6.985 1.00 0.00 H new ATOM 0 HG2 LYS A 1 25.282 11.687 -5.370 1.00 0.00 H new ATOM 0 HG3 LYS A 1 26.792 10.825 -5.151 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.351 11.115 -7.553 1.00 0.00 H new ATOM 0 HD3 LYS A 1 25.799 11.871 -7.852 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.384 13.716 -6.259 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.931 12.957 -5.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 28.130 14.682 -7.627 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 28.486 13.165 -8.303 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 26.987 13.901 -8.610 1.00 0.00 H new ATOM 25 N LYS A 2 24.233 6.796 -5.929 1.00 0.00 N ATOM 26 CA LYS A 2 23.337 5.724 -6.344 1.00 0.00 C ATOM 27 C LYS A 2 24.093 4.398 -6.379 1.00 0.00 C ATOM 28 O LYS A 2 25.099 4.268 -7.074 1.00 0.00 O ATOM 29 CB LYS A 2 22.761 6.059 -7.725 1.00 0.00 C ATOM 30 CG LYS A 2 21.324 5.550 -7.877 1.00 0.00 C ATOM 31 CD LYS A 2 21.295 4.021 -7.862 1.00 0.00 C ATOM 32 CE LYS A 2 19.857 3.543 -8.081 1.00 0.00 C ATOM 33 NZ LYS A 2 19.822 2.054 -8.100 1.00 0.00 N ATOM 0 H LYS A 2 25.226 6.581 -6.019 1.00 0.00 H new ATOM 0 HA LYS A 2 22.518 5.629 -5.631 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.783 7.138 -7.877 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.388 5.616 -8.498 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.706 5.940 -7.068 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.898 5.919 -8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.945 3.625 -8.642 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.674 3.647 -6.911 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.213 3.922 -7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.471 3.938 -9.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.845 1.732 -8.249 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.424 1.702 -8.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 20.173 1.687 -7.193 1.00 0.00 H new ATOM 47 N CYS A 3 23.641 3.431 -5.586 1.00 0.00 N ATOM 48 CA CYS A 3 24.275 2.118 -5.567 1.00 0.00 C ATOM 49 C CYS A 3 23.747 1.234 -6.689 1.00 0.00 C ATOM 50 O CYS A 3 23.262 1.739 -7.702 1.00 0.00 O ATOM 51 CB CYS A 3 24.022 1.422 -4.229 1.00 0.00 C ATOM 52 SG CYS A 3 24.911 2.285 -2.911 1.00 0.00 S ATOM 0 H CYS A 3 22.846 3.530 -4.954 1.00 0.00 H new ATOM 0 HA CYS A 3 25.345 2.271 -5.708 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.954 1.409 -4.012 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.349 0.384 -4.281 1.00 0.00 H new ATOM 57 N TRP A 4 24.192 -0.019 -6.656 1.00 0.00 N ATOM 58 CA TRP A 4 24.029 -0.940 -7.776 1.00 0.00 C ATOM 59 C TRP A 4 23.238 -2.154 -7.296 1.00 0.00 C ATOM 60 O TRP A 4 22.885 -2.231 -6.119 1.00 0.00 O ATOM 61 CB TRP A 4 25.401 -1.371 -8.310 1.00 0.00 C ATOM 62 CG TRP A 4 26.437 -0.353 -7.958 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.951 -0.177 -6.719 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.191 0.528 -8.842 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.938 0.788 -6.775 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.114 1.266 -8.058 1.00 0.00 C ATOM 67 CE3 TRP A 4 27.119 0.806 -10.218 1.00 0.00 C ATOM 68 CZ2 TRP A 4 28.945 2.237 -8.626 1.00 0.00 C ATOM 69 CZ3 TRP A 4 27.964 1.764 -10.793 1.00 0.00 C ATOM 70 CH2 TRP A 4 28.870 2.481 -10.002 1.00 0.00 C ATOM 0 H TRP A 4 24.675 -0.424 -5.854 1.00 0.00 H new ATOM 0 HA TRP A 4 23.490 -0.449 -8.586 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.675 -2.339 -7.890 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.355 -1.494 -9.392 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.640 -0.705 -5.830 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.472 1.108 -5.967 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.408 0.278 -10.836 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 29.637 2.792 -8.010 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 27.916 1.951 -11.856 1.00 0.00 H new ATOM 0 HH2 TRP A 4 29.511 3.223 -10.454 1.00 0.00 H new ATOM 81 N ASN A 5 22.855 -3.018 -8.230 1.00 0.00 N ATOM 82 CA ASN A 5 22.119 -4.232 -7.898 1.00 0.00 C ATOM 83 C ASN A 5 21.082 -3.960 -6.812 1.00 0.00 C ATOM 84 O ASN A 5 20.736 -4.845 -6.031 1.00 0.00 O ATOM 85 CB ASN A 5 23.085 -5.315 -7.411 1.00 0.00 C ATOM 86 CG ASN A 5 23.955 -5.805 -8.563 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.485 -6.554 -9.420 1.00 0.00 O ATOM 88 ND2 ASN A 5 25.222 -5.498 -8.583 1.00 0.00 N ATOM 0 H ASN A 5 23.043 -2.899 -9.226 1.00 0.00 H new ATOM 0 HA ASN A 5 21.607 -4.572 -8.798 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.714 -4.919 -6.614 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.524 -6.149 -6.989 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.828 -5.879 -9.310 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.608 -4.877 -7.871 1.00 0.00 H new ATOM 95 N GLY A 6 20.532 -2.751 -6.828 1.00 0.00 N ATOM 96 CA GLY A 6 19.461 -2.394 -5.906 1.00 0.00 C ATOM 97 C GLY A 6 19.966 -2.253 -4.475 1.00 0.00 C ATOM 98 O GLY A 6 19.221 -1.826 -3.592 1.00 0.00 O ATOM 0 H GLY A 6 20.809 -2.005 -7.466 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.006 -1.456 -6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.682 -3.155 -5.943 1.00 0.00 H new ATOM 102 N GLY A 7 21.273 -2.410 -4.290 1.00 0.00 N ATOM 103 CA GLY A 7 21.859 -2.254 -2.964 1.00 0.00 C ATOM 104 C GLY A 7 21.571 -0.870 -2.390 1.00 0.00 C ATOM 105 O GLY A 7 20.968 -0.035 -3.064 1.00 0.00 O ATOM 0 H GLY A 7 21.937 -2.641 -5.029 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.460 -3.017 -2.296 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.936 -2.410 -3.020 1.00 0.00 H new ATOM 109 N ARG A 8 22.229 -0.550 -1.277 1.00 0.00 N ATOM 110 CA ARG A 8 22.132 0.777 -0.675 1.00 0.00 C ATOM 111 C ARG A 8 23.514 1.285 -0.273 1.00 0.00 C ATOM 112 O ARG A 8 24.457 0.498 -0.192 1.00 0.00 O ATOM 113 CB ARG A 8 21.224 0.727 0.559 1.00 0.00 C ATOM 114 CG ARG A 8 21.675 -0.384 1.517 1.00 0.00 C ATOM 115 CD ARG A 8 21.353 -0.030 2.973 1.00 0.00 C ATOM 116 NE ARG A 8 19.920 -0.103 3.236 1.00 0.00 N ATOM 117 CZ ARG A 8 19.433 0.148 4.447 1.00 0.00 C ATOM 118 NH1 ARG A 8 19.956 1.096 5.175 1.00 0.00 N ATOM 119 NH2 ARG A 8 18.530 -0.641 4.963 1.00 0.00 N ATOM 0 H ARG A 8 22.837 -1.195 -0.773 1.00 0.00 H new ATOM 0 HA ARG A 8 21.706 1.459 -1.411 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.246 1.688 1.072 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.193 0.553 0.252 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.182 -1.319 1.250 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.747 -0.547 1.409 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.882 -0.711 3.640 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.714 0.975 3.193 1.00 0.00 H new ATOM 0 HE ARG A 8 19.282 -0.350 2.479 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.738 1.643 4.815 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.583 1.290 6.104 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.199 -1.450 4.437 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.156 -0.449 5.892 1.00 0.00 H new ATOM 133 N CYS A 9 23.587 2.534 0.186 1.00 0.00 N ATOM 134 CA CYS A 9 24.831 3.091 0.719 1.00 0.00 C ATOM 135 C CYS A 9 24.714 3.191 2.238 1.00 0.00 C ATOM 136 O CYS A 9 23.818 3.854 2.758 1.00 0.00 O ATOM 137 CB CYS A 9 25.113 4.477 0.117 1.00 0.00 C ATOM 138 SG CYS A 9 26.285 4.355 -1.262 1.00 0.00 S ATOM 0 H CYS A 9 22.798 3.181 0.200 1.00 0.00 H new ATOM 0 HA CYS A 9 25.661 2.436 0.452 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.181 4.924 -0.230 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.516 5.137 0.885 1.00 0.00 H new ATOM 143 N ARG A 10 25.680 2.603 2.938 1.00 0.00 N ATOM 144 CA ARG A 10 25.748 2.732 4.390 1.00 0.00 C ATOM 145 C ARG A 10 27.152 2.371 4.870 1.00 0.00 C ATOM 146 O ARG A 10 27.841 1.574 4.233 1.00 0.00 O ATOM 147 CB ARG A 10 24.688 1.824 5.031 1.00 0.00 C ATOM 148 CG ARG A 10 23.564 2.643 5.675 1.00 0.00 C ATOM 149 CD ARG A 10 24.030 3.231 7.009 1.00 0.00 C ATOM 150 NE ARG A 10 24.595 2.188 7.862 1.00 0.00 N ATOM 151 CZ ARG A 10 24.070 1.874 9.042 1.00 0.00 C ATOM 152 NH1 ARG A 10 23.649 0.660 9.265 1.00 0.00 N ATOM 153 NH2 ARG A 10 24.021 2.766 9.993 1.00 0.00 N ATOM 0 H ARG A 10 26.422 2.036 2.527 1.00 0.00 H new ATOM 0 HA ARG A 10 25.543 3.761 4.686 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.269 1.161 4.274 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.157 1.191 5.785 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.259 3.445 5.003 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.690 2.011 5.834 1.00 0.00 H new ATOM 0 HD2 ARG A 10 24.776 4.006 6.830 1.00 0.00 H new ATOM 0 HD3 ARG A 10 23.191 3.707 7.516 1.00 0.00 H new ATOM 0 HE ARG A 10 25.421 1.683 7.541 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.723 -0.048 8.534 1.00 0.00 H new ATOM 0 HH12 ARG A 10 23.246 0.418 10.170 1.00 0.00 H new ATOM 0 HH21 ARG A 10 24.386 3.705 9.831 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.618 2.525 10.898 1.00 0.00 H new ATOM 167 N LYS A 11 27.500 2.813 6.076 1.00 0.00 N ATOM 168 CA LYS A 11 28.766 2.417 6.683 1.00 0.00 C ATOM 169 C LYS A 11 28.794 0.909 6.902 1.00 0.00 C ATOM 170 O LYS A 11 29.852 0.315 7.109 1.00 0.00 O ATOM 171 CB LYS A 11 28.964 3.125 8.025 1.00 0.00 C ATOM 172 CG LYS A 11 29.298 4.601 7.798 1.00 0.00 C ATOM 173 CD LYS A 11 29.573 5.258 9.153 1.00 0.00 C ATOM 174 CE LYS A 11 30.096 6.681 8.949 1.00 0.00 C ATOM 175 NZ LYS A 11 28.999 7.553 8.442 1.00 0.00 N ATOM 0 H LYS A 11 26.930 3.438 6.646 1.00 0.00 H new ATOM 0 HA LYS A 11 29.572 2.703 6.007 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.060 3.037 8.628 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.767 2.644 8.583 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.169 4.696 7.149 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.470 5.103 7.296 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.660 5.279 9.748 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.303 4.670 9.710 1.00 0.00 H new ATOM 0 HE2 LYS A 11 30.481 7.075 9.889 1.00 0.00 H new ATOM 0 HE3 LYS A 11 30.925 6.676 8.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 29.134 8.522 8.796 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 29.013 7.559 7.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.084 7.187 8.774 1.00 0.00 H new ATOM 189 N LYS A 12 27.621 0.296 6.790 1.00 0.00 N ATOM 190 CA LYS A 12 27.482 -1.153 6.881 1.00 0.00 C ATOM 191 C LYS A 12 26.537 -1.639 5.789 1.00 0.00 C ATOM 192 O LYS A 12 26.135 -0.865 4.920 1.00 0.00 O ATOM 193 CB LYS A 12 26.928 -1.571 8.247 1.00 0.00 C ATOM 194 CG LYS A 12 27.990 -1.423 9.345 1.00 0.00 C ATOM 195 CD LYS A 12 27.799 -2.491 10.428 1.00 0.00 C ATOM 196 CE LYS A 12 28.977 -2.455 11.403 1.00 0.00 C ATOM 197 NZ LYS A 12 30.154 -3.130 10.784 1.00 0.00 N ATOM 0 H LYS A 12 26.741 0.788 6.634 1.00 0.00 H new ATOM 0 HA LYS A 12 28.468 -1.600 6.756 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.059 -0.960 8.493 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.588 -2.606 8.203 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.985 -1.512 8.910 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.925 -0.430 9.790 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.866 -2.316 10.964 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.724 -3.477 9.970 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.225 -1.423 11.652 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.707 -2.952 12.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 30.891 -3.273 11.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 29.863 -4.051 10.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 30.530 -2.537 10.017 1.00 0.00 H new ATOM 211 N CYS A 13 26.433 -2.958 5.674 1.00 0.00 N ATOM 212 CA CYS A 13 25.672 -3.572 4.593 1.00 0.00 C ATOM 213 C CYS A 13 24.367 -4.147 5.127 1.00 0.00 C ATOM 214 O CYS A 13 24.350 -4.878 6.117 1.00 0.00 O ATOM 215 CB CYS A 13 26.522 -4.685 3.974 1.00 0.00 C ATOM 216 SG CYS A 13 28.102 -3.980 3.442 1.00 0.00 S ATOM 0 H CYS A 13 26.866 -3.622 6.316 1.00 0.00 H new ATOM 0 HA CYS A 13 25.431 -2.823 3.839 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.689 -5.481 4.700 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.002 -5.130 3.126 1.00 0.00 H new ATOM 221 N LYS A 14 23.273 -3.707 4.515 1.00 0.00 N ATOM 222 CA LYS A 14 21.944 -4.110 4.957 1.00 0.00 C ATOM 223 C LYS A 14 21.928 -5.605 5.262 1.00 0.00 C ATOM 224 O LYS A 14 22.887 -6.322 4.975 1.00 0.00 O ATOM 225 CB LYS A 14 20.909 -3.718 3.895 1.00 0.00 C ATOM 226 CG LYS A 14 19.628 -4.549 4.022 1.00 0.00 C ATOM 227 CD LYS A 14 18.587 -4.052 3.017 1.00 0.00 C ATOM 228 CE LYS A 14 17.260 -4.778 3.258 1.00 0.00 C ATOM 229 NZ LYS A 14 17.520 -6.162 3.744 1.00 0.00 N ATOM 0 H LYS A 14 23.280 -3.074 3.715 1.00 0.00 H new ATOM 0 HA LYS A 14 21.681 -3.591 5.879 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.668 -2.660 3.994 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.336 -3.856 2.902 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.847 -5.602 3.842 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.234 -4.474 5.035 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.450 -2.976 3.121 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.933 -4.232 1.999 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.665 -4.232 3.990 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.680 -4.810 2.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.677 -6.750 3.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.326 -6.566 3.226 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.739 -6.138 4.760 1.00 0.00 H new ATOM 243 N GLU A 15 20.876 -6.049 5.939 1.00 0.00 N ATOM 244 CA GLU A 15 20.760 -7.448 6.334 1.00 0.00 C ATOM 245 C GLU A 15 21.279 -8.366 5.230 1.00 0.00 C ATOM 246 O GLU A 15 20.729 -8.407 4.129 1.00 0.00 O ATOM 247 CB GLU A 15 19.292 -7.756 6.651 1.00 0.00 C ATOM 248 CG GLU A 15 19.015 -7.616 8.151 1.00 0.00 C ATOM 249 CD GLU A 15 19.243 -6.179 8.610 1.00 0.00 C ATOM 250 OE1 GLU A 15 19.204 -5.952 9.808 1.00 0.00 O ATOM 251 OE2 GLU A 15 19.481 -5.332 7.765 1.00 0.00 O ATOM 0 H GLU A 15 20.092 -5.462 6.226 1.00 0.00 H new ATOM 0 HA GLU A 15 21.367 -7.625 7.222 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.646 -7.079 6.093 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.050 -8.768 6.325 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.988 -7.913 8.365 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.665 -8.289 8.710 1.00 0.00 H new ATOM 258 N ASN A 16 22.396 -9.027 5.516 1.00 0.00 N ATOM 259 CA ASN A 16 22.959 -10.017 4.604 1.00 0.00 C ATOM 260 C ASN A 16 23.368 -9.379 3.283 1.00 0.00 C ATOM 261 O ASN A 16 23.051 -9.901 2.214 1.00 0.00 O ATOM 262 CB ASN A 16 21.931 -11.113 4.321 1.00 0.00 C ATOM 263 CG ASN A 16 21.398 -11.673 5.636 1.00 0.00 C ATOM 264 OD1 ASN A 16 22.025 -11.503 6.682 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.305 -12.387 5.637 1.00 0.00 N ATOM 0 H ASN A 16 22.931 -8.895 6.374 1.00 0.00 H new ATOM 0 HA ASN A 16 23.842 -10.442 5.082 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.110 -10.710 3.727 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.388 -11.910 3.734 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.970 -12.805 6.505 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.787 -12.527 4.770 1.00 0.00 H new ATOM 272 N GLU A 17 24.087 -8.263 3.357 1.00 0.00 N ATOM 273 CA GLU A 17 24.546 -7.570 2.157 1.00 0.00 C ATOM 274 C GLU A 17 26.066 -7.453 2.139 1.00 0.00 C ATOM 275 O GLU A 17 26.708 -7.393 3.186 1.00 0.00 O ATOM 276 CB GLU A 17 23.907 -6.177 2.101 1.00 0.00 C ATOM 277 CG GLU A 17 22.405 -6.255 1.804 1.00 0.00 C ATOM 278 CD GLU A 17 21.982 -5.239 0.746 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.825 -4.851 0.760 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.780 -4.945 -0.130 1.00 0.00 O ATOM 0 H GLU A 17 24.364 -7.820 4.233 1.00 0.00 H new ATOM 0 HA GLU A 17 24.245 -8.147 1.282 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.064 -5.666 3.051 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.400 -5.581 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.154 -7.260 1.464 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.844 -6.079 2.722 1.00 0.00 H new ATOM 287 N LYS A 18 26.636 -7.466 0.936 1.00 0.00 N ATOM 288 CA LYS A 18 28.085 -7.500 0.771 1.00 0.00 C ATOM 289 C LYS A 18 28.612 -6.083 0.554 1.00 0.00 C ATOM 290 O LYS A 18 28.071 -5.376 -0.295 1.00 0.00 O ATOM 291 CB LYS A 18 28.458 -8.369 -0.435 1.00 0.00 C ATOM 292 CG LYS A 18 27.782 -9.742 -0.352 1.00 0.00 C ATOM 293 CD LYS A 18 28.602 -10.705 0.514 1.00 0.00 C ATOM 294 CE LYS A 18 27.753 -11.888 1.000 1.00 0.00 C ATOM 295 NZ LYS A 18 27.518 -11.756 2.466 1.00 0.00 N ATOM 0 H LYS A 18 26.114 -7.453 0.060 1.00 0.00 H new ATOM 0 HA LYS A 18 28.531 -7.923 1.671 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.159 -7.868 -1.356 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.540 -8.494 -0.477 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.781 -9.634 0.065 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.667 -10.156 -1.354 1.00 0.00 H new ATOM 0 HD2 LYS A 18 29.452 -11.077 -0.059 1.00 0.00 H new ATOM 0 HD3 LYS A 18 29.006 -10.169 1.373 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.802 -11.911 0.468 1.00 0.00 H new ATOM 0 HE3 LYS A 18 28.261 -12.828 0.785 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.943 -12.556 2.799 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.430 -11.754 2.965 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.016 -10.865 2.658 1.00 0.00 H new ATOM 309 N PRO A 19 29.620 -5.628 1.259 1.00 0.00 N ATOM 310 CA PRO A 19 30.201 -4.279 0.996 1.00 0.00 C ATOM 311 C PRO A 19 30.724 -4.146 -0.431 1.00 0.00 C ATOM 312 O PRO A 19 31.732 -4.770 -0.763 1.00 0.00 O ATOM 313 CB PRO A 19 31.335 -4.126 2.019 1.00 0.00 C ATOM 314 CG PRO A 19 31.133 -5.196 3.044 1.00 0.00 C ATOM 315 CD PRO A 19 30.290 -6.294 2.391 1.00 0.00 C ATOM 0 HA PRO A 19 29.447 -3.498 1.097 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.308 -4.229 1.538 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.311 -3.138 2.480 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.091 -5.594 3.379 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.629 -4.796 3.924 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.912 -7.122 2.051 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.565 -6.707 3.093 1.00 0.00 H new ATOM 323 N ILE A 20 30.276 -3.108 -1.137 1.00 0.00 N ATOM 324 CA ILE A 20 30.911 -2.738 -2.401 1.00 0.00 C ATOM 325 C ILE A 20 30.960 -1.229 -2.617 1.00 0.00 C ATOM 326 O ILE A 20 30.486 -0.438 -1.801 1.00 0.00 O ATOM 327 CB ILE A 20 30.273 -3.455 -3.604 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.096 -2.714 -4.254 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.766 -4.836 -3.187 1.00 0.00 C ATOM 330 CD1 ILE A 20 28.937 -3.187 -5.702 1.00 0.00 C ATOM 0 H ILE A 20 29.491 -2.518 -0.862 1.00 0.00 H new ATOM 0 HA ILE A 20 31.943 -3.080 -2.327 1.00 0.00 H new ATOM 0 HB ILE A 20 31.073 -3.508 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.179 -2.903 -3.695 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.270 -1.638 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.317 -5.333 -4.047 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.599 -5.433 -2.817 1.00 0.00 H new ATOM 0 HG23 ILE A 20 29.020 -4.727 -2.400 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.102 -2.663 -6.166 1.00 0.00 H new ATOM 0 HD12 ILE A 20 29.851 -2.976 -6.256 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.744 -4.260 -5.715 1.00 0.00 H new ATOM 342 N GLY A 21 31.435 -0.875 -3.807 1.00 0.00 N ATOM 343 CA GLY A 21 31.436 0.504 -4.282 1.00 0.00 C ATOM 344 C GLY A 21 31.745 1.489 -3.162 1.00 0.00 C ATOM 345 O GLY A 21 32.236 1.088 -2.108 1.00 0.00 O ATOM 0 H GLY A 21 31.832 -1.539 -4.472 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.174 0.614 -5.076 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.464 0.740 -4.715 1.00 0.00 H new ATOM 349 N TYR A 22 31.745 2.774 -3.507 1.00 0.00 N ATOM 350 CA TYR A 22 32.171 3.818 -2.580 1.00 0.00 C ATOM 351 C TYR A 22 31.148 4.951 -2.566 1.00 0.00 C ATOM 352 O TYR A 22 30.351 5.086 -3.494 1.00 0.00 O ATOM 353 CB TYR A 22 33.553 4.333 -3.004 1.00 0.00 C ATOM 354 CG TYR A 22 34.417 4.632 -1.802 1.00 0.00 C ATOM 355 CD1 TYR A 22 35.172 3.607 -1.219 1.00 0.00 C ATOM 356 CD2 TYR A 22 34.379 5.898 -1.202 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.947 3.866 -0.082 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.146 6.154 -0.059 1.00 0.00 C ATOM 359 CZ TYR A 22 35.930 5.137 0.502 1.00 0.00 C ATOM 360 OH TYR A 22 36.690 5.392 1.625 1.00 0.00 O ATOM 0 H TYR A 22 31.454 3.117 -4.423 1.00 0.00 H new ATOM 0 HA TYR A 22 32.240 3.412 -1.571 1.00 0.00 H new ATOM 0 HB2 TYR A 22 34.044 3.590 -3.632 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.439 5.234 -3.606 1.00 0.00 H new ATOM 0 HD1 TYR A 22 35.157 2.615 -1.647 1.00 0.00 H new ATOM 0 HD2 TYR A 22 33.758 6.676 -1.621 1.00 0.00 H new ATOM 0 HE1 TYR A 22 36.558 3.084 0.344 1.00 0.00 H new ATOM 0 HE2 TYR A 22 35.133 7.136 0.391 1.00 0.00 H new ATOM 0 HH TYR A 22 36.564 6.324 1.901 1.00 0.00 H new ATOM 370 N CYS A 23 31.023 5.593 -1.409 1.00 0.00 N ATOM 371 CA CYS A 23 29.979 6.584 -1.163 1.00 0.00 C ATOM 372 C CYS A 23 30.556 7.681 -0.269 1.00 0.00 C ATOM 373 O CYS A 23 31.759 7.716 -0.014 1.00 0.00 O ATOM 374 CB CYS A 23 28.765 5.913 -0.505 1.00 0.00 C ATOM 375 SG CYS A 23 27.231 6.135 -1.442 1.00 0.00 S ATOM 0 H CYS A 23 31.643 5.441 -0.614 1.00 0.00 H new ATOM 0 HA CYS A 23 29.644 7.026 -2.101 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.964 4.847 -0.393 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.633 6.320 0.498 1.00 0.00 H new ATOM 380 N ARG A 24 29.702 8.622 0.123 1.00 0.00 N ATOM 381 CA ARG A 24 30.124 9.775 0.912 1.00 0.00 C ATOM 382 C ARG A 24 30.348 9.415 2.376 1.00 0.00 C ATOM 383 O ARG A 24 30.127 8.270 2.772 1.00 0.00 O ATOM 384 CB ARG A 24 29.043 10.854 0.832 1.00 0.00 C ATOM 385 CG ARG A 24 28.875 11.306 -0.619 1.00 0.00 C ATOM 386 CD ARG A 24 27.654 12.222 -0.716 1.00 0.00 C ATOM 387 NE ARG A 24 27.864 13.428 0.077 1.00 0.00 N ATOM 388 CZ ARG A 24 26.865 14.265 0.331 1.00 0.00 C ATOM 389 NH1 ARG A 24 25.728 14.136 -0.296 1.00 0.00 N ATOM 390 NH2 ARG A 24 27.009 15.198 1.234 1.00 0.00 N ATOM 0 H ARG A 24 28.706 8.608 -0.095 1.00 0.00 H new ATOM 0 HA ARG A 24 31.069 10.132 0.503 1.00 0.00 H new ATOM 0 HB2 ARG A 24 28.099 10.466 1.214 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.316 11.703 1.459 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.768 11.832 -0.955 1.00 0.00 H new ATOM 0 HG3 ARG A 24 28.750 10.441 -1.271 1.00 0.00 H new ATOM 0 HD2 ARG A 24 27.473 12.490 -1.757 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.767 11.696 -0.363 1.00 0.00 H new ATOM 0 HE ARG A 24 28.794 13.632 0.443 1.00 0.00 H new ATOM 0 HH11 ARG A 24 25.606 13.391 -0.982 1.00 0.00 H new ATOM 0 HH12 ARG A 24 24.962 14.780 -0.100 1.00 0.00 H new ATOM 0 HH21 ARG A 24 27.889 15.283 1.743 1.00 0.00 H new ATOM 0 HH22 ARG A 24 26.242 15.841 1.430 1.00 0.00 H new ATOM 404 N ASN A 25 31.068 10.300 3.063 1.00 0.00 N ATOM 405 CA ASN A 25 31.313 10.190 4.497 1.00 0.00 C ATOM 406 C ASN A 25 31.409 8.738 4.953 1.00 0.00 C ATOM 407 O ASN A 25 30.928 8.403 6.035 1.00 0.00 O ATOM 408 CB ASN A 25 30.208 10.899 5.289 1.00 0.00 C ATOM 409 CG ASN A 25 29.653 12.080 4.499 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.386 12.748 3.771 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.397 12.404 4.644 1.00 0.00 N ATOM 0 H ASN A 25 31.500 11.119 2.636 1.00 0.00 H new ATOM 0 HA ASN A 25 32.272 10.671 4.691 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.406 10.196 5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.603 11.247 6.243 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.019 13.214 4.153 1.00 0.00 H new ATOM 0 HD22 ASN A 25 27.793 11.847 5.249 1.00 0.00 H new ATOM 418 N GLY A 26 32.302 7.987 4.316 1.00 0.00 N ATOM 419 CA GLY A 26 32.606 6.637 4.776 1.00 0.00 C ATOM 420 C GLY A 26 31.668 5.616 4.140 1.00 0.00 C ATOM 421 O GLY A 26 31.994 4.432 4.073 1.00 0.00 O ATOM 0 H GLY A 26 32.822 8.285 3.491 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.639 6.390 4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.517 6.591 5.861 1.00 0.00 H new ATOM 425 N LYS A 27 30.442 6.033 3.840 1.00 0.00 N ATOM 426 CA LYS A 27 29.433 5.067 3.425 1.00 0.00 C ATOM 427 C LYS A 27 29.771 4.538 2.035 1.00 0.00 C ATOM 428 O LYS A 27 30.510 5.190 1.298 1.00 0.00 O ATOM 429 CB LYS A 27 28.031 5.688 3.453 1.00 0.00 C ATOM 430 CG LYS A 27 27.944 6.757 4.546 1.00 0.00 C ATOM 431 CD LYS A 27 26.491 6.932 4.995 1.00 0.00 C ATOM 432 CE LYS A 27 26.451 7.853 6.214 1.00 0.00 C ATOM 433 NZ LYS A 27 25.053 7.936 6.725 1.00 0.00 N ATOM 0 H LYS A 27 30.130 7.003 3.875 1.00 0.00 H new ATOM 0 HA LYS A 27 29.433 4.234 4.128 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.803 6.130 2.483 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.286 4.913 3.633 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.564 6.471 5.396 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.334 7.704 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.896 7.354 4.185 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.054 5.964 5.241 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.113 7.473 6.993 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.812 8.846 5.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.023 8.562 7.555 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.434 8.317 5.981 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.725 6.987 6.996 1.00 0.00 H new ATOM 447 N LYS A 28 29.617 3.227 1.886 1.00 0.00 N ATOM 448 CA LYS A 28 29.985 2.524 0.661 1.00 0.00 C ATOM 449 C LYS A 28 28.712 1.934 0.064 1.00 0.00 C ATOM 450 O LYS A 28 27.788 1.639 0.823 1.00 0.00 O ATOM 451 CB LYS A 28 31.000 1.425 0.985 1.00 0.00 C ATOM 452 CG LYS A 28 31.932 1.927 2.089 1.00 0.00 C ATOM 453 CD LYS A 28 33.145 1.004 2.200 1.00 0.00 C ATOM 454 CE LYS A 28 33.926 1.360 3.468 1.00 0.00 C ATOM 455 NZ LYS A 28 35.161 0.531 3.551 1.00 0.00 N ATOM 0 H LYS A 28 29.233 2.621 2.611 1.00 0.00 H new ATOM 0 HA LYS A 28 30.446 3.202 -0.057 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.486 0.519 1.307 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.574 1.166 0.095 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.256 2.944 1.870 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.400 1.960 3.040 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.824 -0.037 2.235 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.782 1.112 1.322 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.187 2.418 3.460 1.00 0.00 H new ATOM 0 HE3 LYS A 28 33.305 1.192 4.348 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.687 0.777 4.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.902 -0.476 3.579 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.757 0.712 2.718 1.00 0.00 H new ATOM 469 N CYS A 29 28.776 1.419 -1.159 1.00 0.00 N ATOM 470 CA CYS A 29 27.613 0.712 -1.681 1.00 0.00 C ATOM 471 C CYS A 29 27.760 -0.756 -1.327 1.00 0.00 C ATOM 472 O CYS A 29 28.438 -1.514 -2.017 1.00 0.00 O ATOM 473 CB CYS A 29 27.496 0.826 -3.200 1.00 0.00 C ATOM 474 SG CYS A 29 26.812 2.456 -3.576 1.00 0.00 S ATOM 0 H CYS A 29 29.581 1.472 -1.783 1.00 0.00 H new ATOM 0 HA CYS A 29 26.720 1.157 -1.241 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.472 0.703 -3.669 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.852 0.040 -3.594 1.00 0.00 H new ATOM 479 N CYS A 30 26.940 -1.182 -0.379 1.00 0.00 N ATOM 480 CA CYS A 30 26.789 -2.610 -0.166 1.00 0.00 C ATOM 481 C CYS A 30 25.768 -3.161 -1.153 1.00 0.00 C ATOM 482 O CYS A 30 24.563 -3.068 -0.918 1.00 0.00 O ATOM 483 CB CYS A 30 26.307 -2.847 1.263 1.00 0.00 C ATOM 484 SG CYS A 30 27.563 -2.303 2.451 1.00 0.00 S ATOM 0 H CYS A 30 26.387 -0.583 0.235 1.00 0.00 H new ATOM 0 HA CYS A 30 27.743 -3.115 -0.319 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.376 -2.306 1.434 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.092 -3.905 1.410 1.00 0.00 H new ATOM 489 N VAL A 31 26.246 -3.972 -2.090 1.00 0.00 N ATOM 490 CA VAL A 31 25.343 -4.678 -2.989 1.00 0.00 C ATOM 491 C VAL A 31 24.936 -5.999 -2.352 1.00 0.00 C ATOM 492 O VAL A 31 25.740 -6.924 -2.231 1.00 0.00 O ATOM 493 CB VAL A 31 26.009 -4.869 -4.358 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.500 -6.126 -5.070 1.00 0.00 C ATOM 495 CG2 VAL A 31 25.754 -3.643 -5.241 1.00 0.00 C ATOM 0 H VAL A 31 27.237 -4.155 -2.245 1.00 0.00 H new ATOM 0 HA VAL A 31 24.438 -4.094 -3.154 1.00 0.00 H new ATOM 0 HB VAL A 31 27.079 -4.988 -4.187 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.997 -6.224 -6.035 1.00 0.00 H new ATOM 0 HG12 VAL A 31 25.717 -7.003 -4.460 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.424 -6.047 -5.222 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.230 -3.788 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.681 -3.512 -5.380 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.169 -2.757 -4.761 1.00 0.00 H new ATOM 505 N ASN A 32 23.623 -6.146 -2.231 1.00 0.00 N ATOM 506 CA ASN A 32 23.043 -7.300 -1.562 1.00 0.00 C ATOM 507 C ASN A 32 23.663 -8.588 -2.090 1.00 0.00 C ATOM 508 O ASN A 32 23.361 -8.936 -3.219 1.00 0.00 O ATOM 509 CB ASN A 32 21.529 -7.298 -1.787 1.00 0.00 C ATOM 510 CG ASN A 32 20.831 -8.124 -0.712 1.00 0.00 C ATOM 511 OD1 ASN A 32 21.106 -9.316 -0.572 1.00 0.00 O ATOM 512 ND2 ASN A 32 20.025 -7.534 0.127 1.00 0.00 N ATOM 513 OXT ASN A 32 24.578 -9.080 -1.451 1.00 0.00 O ATOM 0 H ASN A 32 22.940 -5.478 -2.589 1.00 0.00 H new ATOM 0 HA ASN A 32 23.249 -7.243 -0.493 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.154 -6.275 -1.769 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.301 -7.704 -2.772 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.621 -8.060 0.902 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.799 -6.546 0.008 1.00 0.00 H new TER 520 ASN A 32