USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=3 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 Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -166:sc= 0.443 (180deg=-0.00535) USER MOD Single : A 1 LYS N :NH3+ 159:sc= -0.116 (180deg=-0.912) 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 X(o=0,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.0106 K(o=-0.011,f=-1.8!) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= -0.0685 K(o=-0.069,f=-1.8!) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -0.0767 X(o=-0.077,f=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.312 9.518 -6.842 1.00 0.00 N ATOM 2 CA LYS A 1 26.047 8.210 -7.504 1.00 0.00 C ATOM 3 C LYS A 1 25.366 7.268 -6.517 1.00 0.00 C ATOM 4 O LYS A 1 25.725 7.224 -5.340 1.00 0.00 O ATOM 5 CB LYS A 1 27.371 7.611 -7.982 1.00 0.00 C ATOM 6 CG LYS A 1 28.312 7.437 -6.788 1.00 0.00 C ATOM 7 CD LYS A 1 29.674 6.946 -7.281 1.00 0.00 C ATOM 8 CE LYS A 1 30.621 6.781 -6.091 1.00 0.00 C ATOM 9 NZ LYS A 1 32.022 6.672 -6.585 1.00 0.00 N ATOM 0 H1 LYS A 1 27.064 10.021 -7.355 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.445 10.092 -6.848 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.613 9.355 -5.860 1.00 0.00 H new ATOM 0 HA LYS A 1 25.390 8.355 -8.362 1.00 0.00 H new ATOM 0 HB2 LYS A 1 27.195 6.649 -8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.829 8.261 -8.728 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.424 8.383 -6.259 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.891 6.724 -6.080 1.00 0.00 H new ATOM 0 HD2 LYS A 1 29.562 5.996 -7.804 1.00 0.00 H new ATOM 0 HD3 LYS A 1 30.091 7.656 -7.995 1.00 0.00 H new ATOM 0 HE2 LYS A 1 30.527 7.632 -5.416 1.00 0.00 H new ATOM 0 HE3 LYS A 1 30.355 5.891 -5.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 32.667 6.560 -5.777 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 32.106 5.847 -7.212 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 32.273 7.533 -7.111 1.00 0.00 H new ATOM 25 N LYS A 2 24.290 6.631 -6.969 1.00 0.00 N ATOM 26 CA LYS A 2 23.568 5.672 -6.141 1.00 0.00 C ATOM 27 C LYS A 2 24.240 4.305 -6.196 1.00 0.00 C ATOM 28 O LYS A 2 25.340 4.166 -6.730 1.00 0.00 O ATOM 29 CB LYS A 2 22.122 5.556 -6.630 1.00 0.00 C ATOM 30 CG LYS A 2 21.323 6.776 -6.166 1.00 0.00 C ATOM 31 CD LYS A 2 19.920 6.732 -6.774 1.00 0.00 C ATOM 32 CE LYS A 2 19.066 7.843 -6.161 1.00 0.00 C ATOM 33 NZ LYS A 2 17.840 8.040 -6.984 1.00 0.00 N ATOM 0 H LYS A 2 23.900 6.761 -7.902 1.00 0.00 H new ATOM 0 HA LYS A 2 23.578 6.024 -5.109 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.100 5.487 -7.718 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.669 4.643 -6.243 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.259 6.789 -5.078 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.832 7.692 -6.466 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.976 6.856 -7.855 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.461 5.761 -6.588 1.00 0.00 H new ATOM 0 HE2 LYS A 2 18.792 7.583 -5.138 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.637 8.770 -6.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.260 8.795 -6.567 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 18.111 8.306 -7.952 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.292 7.156 -7.008 1.00 0.00 H new ATOM 47 N CYS A 3 23.659 3.339 -5.490 1.00 0.00 N ATOM 48 CA CYS A 3 24.217 1.992 -5.449 1.00 0.00 C ATOM 49 C CYS A 3 23.678 1.140 -6.591 1.00 0.00 C ATOM 50 O CYS A 3 23.259 1.674 -7.618 1.00 0.00 O ATOM 51 CB CYS A 3 23.872 1.313 -4.123 1.00 0.00 C ATOM 52 SG CYS A 3 24.684 2.170 -2.751 1.00 0.00 S ATOM 0 H CYS A 3 22.808 3.463 -4.942 1.00 0.00 H new ATOM 0 HA CYS A 3 25.299 2.082 -5.549 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.792 1.316 -3.975 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.188 0.270 -4.147 1.00 0.00 H new ATOM 57 N TRP A 4 24.077 -0.127 -6.554 1.00 0.00 N ATOM 58 CA TRP A 4 23.897 -1.039 -7.678 1.00 0.00 C ATOM 59 C TRP A 4 23.094 -2.247 -7.208 1.00 0.00 C ATOM 60 O TRP A 4 22.867 -2.410 -6.010 1.00 0.00 O ATOM 61 CB TRP A 4 25.264 -1.485 -8.209 1.00 0.00 C ATOM 62 CG TRP A 4 26.279 -0.414 -7.963 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.793 -0.106 -6.751 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.015 0.385 -8.934 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.721 0.905 -6.903 1.00 0.00 N ATOM 66 CE2 TRP A 4 27.916 1.224 -8.232 1.00 0.00 C ATOM 67 CE3 TRP A 4 26.953 0.501 -10.332 1.00 0.00 C ATOM 68 CZ2 TRP A 4 28.719 2.155 -8.899 1.00 0.00 C ATOM 69 CZ3 TRP A 4 27.782 1.407 -11.007 1.00 0.00 C ATOM 70 CH2 TRP A 4 28.661 2.232 -10.295 1.00 0.00 C ATOM 0 H TRP A 4 24.533 -0.550 -5.746 1.00 0.00 H new ATOM 0 HA TRP A 4 23.360 -0.536 -8.482 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.571 -2.409 -7.718 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.198 -1.698 -9.276 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.522 -0.574 -5.816 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.203 1.360 -6.128 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.262 -0.112 -10.891 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 29.376 2.807 -8.343 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 27.743 1.469 -12.084 1.00 0.00 H new ATOM 0 HH2 TRP A 4 29.295 2.928 -10.824 1.00 0.00 H new ATOM 81 N ASN A 5 22.620 -3.057 -8.149 1.00 0.00 N ATOM 82 CA ASN A 5 21.879 -4.265 -7.805 1.00 0.00 C ATOM 83 C ASN A 5 20.907 -3.992 -6.660 1.00 0.00 C ATOM 84 O ASN A 5 20.564 -4.891 -5.892 1.00 0.00 O ATOM 85 CB ASN A 5 22.850 -5.373 -7.390 1.00 0.00 C ATOM 86 CG ASN A 5 23.649 -5.853 -8.596 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.131 -6.591 -9.434 1.00 0.00 O ATOM 88 ND2 ASN A 5 24.906 -5.519 -8.701 1.00 0.00 N ATOM 0 H ASN A 5 22.735 -2.900 -9.150 1.00 0.00 H new ATOM 0 HA ASN A 5 21.314 -4.581 -8.682 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.527 -5.003 -6.620 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.298 -6.206 -6.956 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.464 -5.870 -9.480 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.331 -4.907 -8.004 1.00 0.00 H new ATOM 95 N GLY A 6 20.384 -2.771 -6.625 1.00 0.00 N ATOM 96 CA GLY A 6 19.368 -2.410 -5.646 1.00 0.00 C ATOM 97 C GLY A 6 19.947 -2.339 -4.237 1.00 0.00 C ATOM 98 O GLY A 6 19.203 -2.216 -3.264 1.00 0.00 O ATOM 0 H GLY A 6 20.646 -2.018 -7.261 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.933 -1.446 -5.910 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.561 -3.142 -5.672 1.00 0.00 H new ATOM 102 N GLY A 7 21.264 -2.184 -4.153 1.00 0.00 N ATOM 103 CA GLY A 7 21.931 -2.086 -2.858 1.00 0.00 C ATOM 104 C GLY A 7 21.667 -0.727 -2.221 1.00 0.00 C ATOM 105 O GLY A 7 20.917 0.078 -2.771 1.00 0.00 O ATOM 0 H GLY A 7 21.887 -2.124 -4.958 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.576 -2.878 -2.199 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.004 -2.233 -2.983 1.00 0.00 H new ATOM 109 N ARG A 8 22.420 -0.403 -1.171 1.00 0.00 N ATOM 110 CA ARG A 8 22.299 0.904 -0.529 1.00 0.00 C ATOM 111 C ARG A 8 23.671 1.400 -0.073 1.00 0.00 C ATOM 112 O ARG A 8 24.594 0.594 0.043 1.00 0.00 O ATOM 113 CB ARG A 8 21.347 0.791 0.666 1.00 0.00 C ATOM 114 CG ARG A 8 21.707 -0.406 1.561 1.00 0.00 C ATOM 115 CD ARG A 8 22.080 0.059 2.970 1.00 0.00 C ATOM 116 NE ARG A 8 20.989 0.833 3.549 1.00 0.00 N ATOM 117 CZ ARG A 8 19.838 0.254 3.877 1.00 0.00 C ATOM 118 NH1 ARG A 8 19.008 -0.122 2.943 1.00 0.00 N ATOM 119 NH2 ARG A 8 19.535 0.069 5.133 1.00 0.00 N ATOM 0 H ARG A 8 23.114 -1.021 -0.750 1.00 0.00 H new ATOM 0 HA ARG A 8 21.898 1.623 -1.243 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.386 1.709 1.252 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.323 0.684 0.308 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.863 -1.094 1.612 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.540 -0.956 1.123 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.298 -0.803 3.600 1.00 0.00 H new ATOM 0 HD3 ARG A 8 22.986 0.664 2.933 1.00 0.00 H new ATOM 0 HE ARG A 8 21.110 1.834 3.705 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.242 0.028 1.962 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.125 -0.566 3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.181 0.369 5.863 1.00 0.00 H new ATOM 0 HH22 ARG A 8 18.652 -0.375 5.385 1.00 0.00 H new ATOM 133 N CYS A 9 23.750 2.640 0.408 1.00 0.00 N ATOM 134 CA CYS A 9 24.992 3.142 0.997 1.00 0.00 C ATOM 135 C CYS A 9 24.824 3.215 2.511 1.00 0.00 C ATOM 136 O CYS A 9 24.058 4.033 3.018 1.00 0.00 O ATOM 137 CB CYS A 9 25.377 4.547 0.511 1.00 0.00 C ATOM 138 SG CYS A 9 25.538 4.628 -1.292 1.00 0.00 S ATOM 0 H CYS A 9 22.980 3.309 0.402 1.00 0.00 H new ATOM 0 HA CYS A 9 25.780 2.453 0.692 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.623 5.262 0.839 1.00 0.00 H new ATOM 0 HB3 CYS A 9 26.319 4.843 0.972 1.00 0.00 H new ATOM 143 N ARG A 10 25.756 2.567 3.203 1.00 0.00 N ATOM 144 CA ARG A 10 25.908 2.726 4.645 1.00 0.00 C ATOM 145 C ARG A 10 27.323 2.327 5.052 1.00 0.00 C ATOM 146 O ARG A 10 27.973 1.543 4.361 1.00 0.00 O ATOM 147 CB ARG A 10 24.889 1.858 5.392 1.00 0.00 C ATOM 148 CG ARG A 10 23.508 2.521 5.404 1.00 0.00 C ATOM 149 CD ARG A 10 22.615 1.799 6.413 1.00 0.00 C ATOM 150 NE ARG A 10 23.187 1.908 7.749 1.00 0.00 N ATOM 151 CZ ARG A 10 23.002 2.994 8.494 1.00 0.00 C ATOM 152 NH1 ARG A 10 22.479 4.066 7.964 1.00 0.00 N ATOM 153 NH2 ARG A 10 23.421 3.016 9.730 1.00 0.00 N ATOM 0 H ARG A 10 26.424 1.920 2.783 1.00 0.00 H new ATOM 0 HA ARG A 10 25.731 3.769 4.906 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.822 0.879 4.917 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.227 1.694 6.415 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.599 3.574 5.669 1.00 0.00 H new ATOM 0 HG3 ARG A 10 23.062 2.479 4.410 1.00 0.00 H new ATOM 0 HD2 ARG A 10 21.614 2.231 6.400 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.513 0.750 6.136 1.00 0.00 H new ATOM 0 HE ARG A 10 23.740 1.136 8.120 1.00 0.00 H new ATOM 0 HH11 ARG A 10 22.213 4.070 6.979 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.337 4.900 8.534 1.00 0.00 H new ATOM 0 HH21 ARG A 10 23.890 2.200 10.124 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.279 3.849 10.302 1.00 0.00 H new ATOM 167 N LYS A 11 27.755 2.776 6.227 1.00 0.00 N ATOM 168 CA LYS A 11 29.052 2.362 6.748 1.00 0.00 C ATOM 169 C LYS A 11 29.077 0.850 6.936 1.00 0.00 C ATOM 170 O LYS A 11 30.127 0.256 7.181 1.00 0.00 O ATOM 171 CB LYS A 11 29.330 3.035 8.095 1.00 0.00 C ATOM 172 CG LYS A 11 29.515 4.541 7.893 1.00 0.00 C ATOM 173 CD LYS A 11 30.101 5.192 9.150 1.00 0.00 C ATOM 174 CE LYS A 11 29.012 5.423 10.201 1.00 0.00 C ATOM 175 NZ LYS A 11 29.650 5.734 11.510 1.00 0.00 N ATOM 0 H LYS A 11 27.235 3.416 6.827 1.00 0.00 H new ATOM 0 HA LYS A 11 29.819 2.660 6.033 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.504 2.850 8.782 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.224 2.607 8.548 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.175 4.720 7.044 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.556 5.001 7.654 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.883 4.555 9.564 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.568 6.142 8.889 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.364 6.244 9.895 1.00 0.00 H new ATOM 0 HE3 LYS A 11 28.383 4.537 10.291 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.913 5.892 12.227 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.251 4.937 11.801 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.232 6.591 11.418 1.00 0.00 H new ATOM 189 N LYS A 12 27.897 0.243 6.849 1.00 0.00 N ATOM 190 CA LYS A 12 27.758 -1.204 6.964 1.00 0.00 C ATOM 191 C LYS A 12 26.804 -1.705 5.886 1.00 0.00 C ATOM 192 O LYS A 12 26.288 -0.916 5.095 1.00 0.00 O ATOM 193 CB LYS A 12 27.200 -1.562 8.343 1.00 0.00 C ATOM 194 CG LYS A 12 28.132 -1.012 9.423 1.00 0.00 C ATOM 195 CD LYS A 12 27.616 -1.427 10.803 1.00 0.00 C ATOM 196 CE LYS A 12 28.487 -0.785 11.884 1.00 0.00 C ATOM 197 NZ LYS A 12 28.102 -1.329 13.218 1.00 0.00 N ATOM 0 H LYS A 12 27.017 0.736 6.698 1.00 0.00 H new ATOM 0 HA LYS A 12 28.734 -1.672 6.838 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.200 -1.145 8.463 1.00 0.00 H new ATOM 0 HB3 LYS A 12 27.109 -2.644 8.442 1.00 0.00 H new ATOM 0 HG2 LYS A 12 29.143 -1.390 9.272 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.184 0.075 9.354 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.578 -1.116 10.924 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.637 -2.512 10.900 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.540 -0.988 11.686 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.363 0.298 11.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 28.693 -0.893 13.954 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 27.102 -1.114 13.405 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 28.242 -2.360 13.226 1.00 0.00 H new ATOM 211 N CYS A 13 26.679 -3.022 5.765 1.00 0.00 N ATOM 212 CA CYS A 13 25.829 -3.614 4.738 1.00 0.00 C ATOM 213 C CYS A 13 24.566 -4.191 5.362 1.00 0.00 C ATOM 214 O CYS A 13 24.619 -5.021 6.270 1.00 0.00 O ATOM 215 CB CYS A 13 26.615 -4.710 4.017 1.00 0.00 C ATOM 216 SG CYS A 13 28.168 -3.991 3.431 1.00 0.00 S ATOM 0 H CYS A 13 27.154 -3.698 6.363 1.00 0.00 H new ATOM 0 HA CYS A 13 25.532 -2.847 4.023 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.812 -5.544 4.691 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.038 -5.105 3.181 1.00 0.00 H new ATOM 221 N LYS A 14 23.431 -3.732 4.845 1.00 0.00 N ATOM 222 CA LYS A 14 22.139 -4.165 5.356 1.00 0.00 C ATOM 223 C LYS A 14 22.099 -5.687 5.471 1.00 0.00 C ATOM 224 O LYS A 14 23.061 -6.370 5.123 1.00 0.00 O ATOM 225 CB LYS A 14 21.036 -3.620 4.443 1.00 0.00 C ATOM 226 CG LYS A 14 19.728 -4.391 4.636 1.00 0.00 C ATOM 227 CD LYS A 14 18.601 -3.668 3.895 1.00 0.00 C ATOM 228 CE LYS A 14 17.278 -4.388 4.163 1.00 0.00 C ATOM 229 NZ LYS A 14 16.154 -3.575 3.620 1.00 0.00 N ATOM 0 H LYS A 14 23.381 -3.063 4.076 1.00 0.00 H new ATOM 0 HA LYS A 14 21.976 -3.770 6.359 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.873 -2.563 4.655 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.353 -3.691 3.403 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.833 -5.408 4.259 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.491 -4.468 5.697 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.538 -2.632 4.227 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.808 -3.648 2.825 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.287 -5.374 3.697 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.146 -4.542 5.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.254 -4.063 3.801 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.143 -2.644 4.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.280 -3.450 2.595 1.00 0.00 H new ATOM 243 N GLU A 15 21.068 -6.201 6.133 1.00 0.00 N ATOM 244 CA GLU A 15 20.912 -7.643 6.285 1.00 0.00 C ATOM 245 C GLU A 15 21.371 -8.387 5.033 1.00 0.00 C ATOM 246 O GLU A 15 20.806 -8.229 3.950 1.00 0.00 O ATOM 247 CB GLU A 15 19.444 -7.966 6.589 1.00 0.00 C ATOM 248 CG GLU A 15 19.188 -7.895 8.097 1.00 0.00 C ATOM 249 CD GLU A 15 19.752 -9.140 8.772 1.00 0.00 C ATOM 250 OE1 GLU A 15 20.596 -8.992 9.641 1.00 0.00 O ATOM 251 OE2 GLU A 15 19.380 -10.228 8.363 1.00 0.00 O ATOM 0 H GLU A 15 20.333 -5.645 6.570 1.00 0.00 H new ATOM 0 HA GLU A 15 21.539 -7.975 7.113 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.794 -7.262 6.069 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.199 -8.961 6.218 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.653 -7.001 8.513 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.118 -7.817 8.291 1.00 0.00 H new ATOM 258 N ASN A 16 22.384 -9.226 5.218 1.00 0.00 N ATOM 259 CA ASN A 16 22.858 -10.109 4.158 1.00 0.00 C ATOM 260 C ASN A 16 23.241 -9.311 2.917 1.00 0.00 C ATOM 261 O ASN A 16 22.794 -9.619 1.812 1.00 0.00 O ATOM 262 CB ASN A 16 21.773 -11.120 3.783 1.00 0.00 C ATOM 263 CG ASN A 16 21.557 -12.104 4.929 1.00 0.00 C ATOM 264 OD1 ASN A 16 22.421 -12.247 5.795 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.467 -12.821 4.966 1.00 0.00 N ATOM 0 H ASN A 16 22.895 -9.313 6.096 1.00 0.00 H new ATOM 0 HA ASN A 16 23.737 -10.634 4.531 1.00 0.00 H new ATOM 0 HB2 ASN A 16 20.842 -10.600 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.062 -11.658 2.880 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.329 -13.502 5.713 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.753 -12.701 4.248 1.00 0.00 H new ATOM 272 N GLU A 17 24.073 -8.289 3.101 1.00 0.00 N ATOM 273 CA GLU A 17 24.485 -7.431 1.996 1.00 0.00 C ATOM 274 C GLU A 17 26.004 -7.337 1.905 1.00 0.00 C ATOM 275 O GLU A 17 26.697 -7.309 2.922 1.00 0.00 O ATOM 276 CB GLU A 17 23.877 -6.035 2.178 1.00 0.00 C ATOM 277 CG GLU A 17 22.356 -6.048 1.978 1.00 0.00 C ATOM 278 CD GLU A 17 21.891 -4.975 0.995 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.715 -4.988 0.673 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.611 -4.004 0.827 1.00 0.00 O ATOM 0 H GLU A 17 24.474 -8.036 4.004 1.00 0.00 H new ATOM 0 HA GLU A 17 24.123 -7.868 1.065 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.110 -5.664 3.176 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.332 -5.345 1.467 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.048 -7.028 1.615 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.864 -5.895 2.939 1.00 0.00 H new ATOM 287 N LYS A 18 26.513 -7.507 0.688 1.00 0.00 N ATOM 288 CA LYS A 18 27.953 -7.547 0.453 1.00 0.00 C ATOM 289 C LYS A 18 28.503 -6.127 0.334 1.00 0.00 C ATOM 290 O LYS A 18 27.995 -5.377 -0.496 1.00 0.00 O ATOM 291 CB LYS A 18 28.232 -8.318 -0.840 1.00 0.00 C ATOM 292 CG LYS A 18 27.310 -9.536 -0.916 1.00 0.00 C ATOM 293 CD LYS A 18 27.449 -10.371 0.359 1.00 0.00 C ATOM 294 CE LYS A 18 26.815 -11.746 0.142 1.00 0.00 C ATOM 295 NZ LYS A 18 26.735 -12.466 1.444 1.00 0.00 N ATOM 0 H LYS A 18 25.947 -7.620 -0.153 1.00 0.00 H new ATOM 0 HA LYS A 18 28.441 -8.046 1.290 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.071 -7.672 -1.703 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.274 -8.635 -0.869 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.276 -9.214 -1.040 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.562 -10.141 -1.787 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.501 -10.482 0.621 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.965 -9.863 1.193 1.00 0.00 H new ATOM 0 HE2 LYS A 18 25.819 -11.636 -0.287 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.406 -12.323 -0.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 26.304 -13.401 1.298 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 27.691 -12.583 1.835 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 26.154 -11.917 2.109 1.00 0.00 H new ATOM 309 N PRO A 19 29.539 -5.745 1.038 1.00 0.00 N ATOM 310 CA PRO A 19 30.140 -4.392 0.851 1.00 0.00 C ATOM 311 C PRO A 19 30.654 -4.185 -0.571 1.00 0.00 C ATOM 312 O PRO A 19 31.643 -4.812 -0.950 1.00 0.00 O ATOM 313 CB PRO A 19 31.284 -4.312 1.872 1.00 0.00 C ATOM 314 CG PRO A 19 31.128 -5.480 2.793 1.00 0.00 C ATOM 315 CD PRO A 19 30.232 -6.506 2.093 1.00 0.00 C ATOM 0 HA PRO A 19 29.399 -3.608 1.005 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.251 -4.342 1.371 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.241 -3.375 2.427 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.099 -5.916 3.026 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.684 -5.166 3.738 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.820 -7.321 1.671 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.522 -6.952 2.790 1.00 0.00 H new ATOM 323 N ILE A 20 30.228 -3.096 -1.208 1.00 0.00 N ATOM 324 CA ILE A 20 30.868 -2.659 -2.448 1.00 0.00 C ATOM 325 C ILE A 20 30.912 -1.139 -2.586 1.00 0.00 C ATOM 326 O ILE A 20 30.402 -0.396 -1.749 1.00 0.00 O ATOM 327 CB ILE A 20 30.234 -3.320 -3.682 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.078 -2.533 -4.318 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.686 -4.703 -3.319 1.00 0.00 C ATOM 330 CD1 ILE A 20 28.913 -2.966 -5.776 1.00 0.00 C ATOM 0 H ILE A 20 29.456 -2.508 -0.893 1.00 0.00 H new ATOM 0 HA ILE A 20 31.903 -2.995 -2.391 1.00 0.00 H new ATOM 0 HB ILE A 20 31.045 -3.366 -4.409 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.155 -2.712 -3.767 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.279 -1.463 -4.265 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.240 -5.161 -4.202 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.498 -5.332 -2.956 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.929 -4.602 -2.541 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.093 -2.409 -6.230 1.00 0.00 H new ATOM 0 HD12 ILE A 20 29.835 -2.765 -6.322 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.693 -4.033 -5.816 1.00 0.00 H new ATOM 342 N GLY A 21 31.407 -0.712 -3.744 1.00 0.00 N ATOM 343 CA GLY A 21 31.305 0.676 -4.180 1.00 0.00 C ATOM 344 C GLY A 21 31.569 1.655 -3.042 1.00 0.00 C ATOM 345 O GLY A 21 32.105 1.263 -2.006 1.00 0.00 O ATOM 0 H GLY A 21 31.890 -1.319 -4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.017 0.856 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.310 0.855 -4.588 1.00 0.00 H new ATOM 349 N TYR A 22 31.467 2.946 -3.349 1.00 0.00 N ATOM 350 CA TYR A 22 31.851 4.005 -2.419 1.00 0.00 C ATOM 351 C TYR A 22 30.707 5.012 -2.290 1.00 0.00 C ATOM 352 O TYR A 22 29.812 5.041 -3.133 1.00 0.00 O ATOM 353 CB TYR A 22 33.139 4.675 -2.918 1.00 0.00 C ATOM 354 CG TYR A 22 34.177 4.764 -1.822 1.00 0.00 C ATOM 355 CD1 TYR A 22 35.016 3.672 -1.567 1.00 0.00 C ATOM 356 CD2 TYR A 22 34.176 5.858 -0.948 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.947 3.732 -0.524 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.102 5.914 0.102 1.00 0.00 C ATOM 359 CZ TYR A 22 35.987 4.852 0.315 1.00 0.00 C ATOM 360 OH TYR A 22 36.898 4.909 1.350 1.00 0.00 O ATOM 0 H TYR A 22 31.118 3.286 -4.245 1.00 0.00 H new ATOM 0 HA TYR A 22 32.045 3.588 -1.431 1.00 0.00 H new ATOM 0 HB2 TYR A 22 33.543 4.110 -3.758 1.00 0.00 H new ATOM 0 HB3 TYR A 22 32.911 5.675 -3.287 1.00 0.00 H new ATOM 0 HD1 TYR A 22 34.944 2.783 -2.176 1.00 0.00 H new ATOM 0 HD2 TYR A 22 33.463 6.657 -1.083 1.00 0.00 H new ATOM 0 HE1 TYR A 22 36.635 2.914 -0.366 1.00 0.00 H new ATOM 0 HE2 TYR A 22 35.133 6.779 0.748 1.00 0.00 H new ATOM 0 HH TYR A 22 36.792 5.755 1.833 1.00 0.00 H new ATOM 370 N CYS A 23 30.637 5.700 -1.153 1.00 0.00 N ATOM 371 CA CYS A 23 29.559 6.649 -0.884 1.00 0.00 C ATOM 372 C CYS A 23 30.041 7.693 0.125 1.00 0.00 C ATOM 373 O CYS A 23 31.249 7.885 0.268 1.00 0.00 O ATOM 374 CB CYS A 23 28.293 5.929 -0.397 1.00 0.00 C ATOM 375 SG CYS A 23 27.368 5.313 -1.827 1.00 0.00 S ATOM 0 H CYS A 23 31.319 5.617 -0.399 1.00 0.00 H new ATOM 0 HA CYS A 23 29.292 7.158 -1.810 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.561 5.102 0.261 1.00 0.00 H new ATOM 0 HB3 CYS A 23 27.674 6.611 0.185 1.00 0.00 H new ATOM 380 N ARG A 24 29.136 8.577 0.539 1.00 0.00 N ATOM 381 CA ARG A 24 29.505 9.775 1.290 1.00 0.00 C ATOM 382 C ARG A 24 29.819 9.433 2.742 1.00 0.00 C ATOM 383 O ARG A 24 29.876 8.247 3.063 1.00 0.00 O ATOM 384 CB ARG A 24 28.352 10.782 1.269 1.00 0.00 C ATOM 385 CG ARG A 24 28.248 11.440 -0.107 1.00 0.00 C ATOM 386 CD ARG A 24 27.057 12.402 -0.118 1.00 0.00 C ATOM 387 NE ARG A 24 25.802 11.658 -0.142 1.00 0.00 N ATOM 388 CZ ARG A 24 24.634 12.286 -0.237 1.00 0.00 C ATOM 389 NH1 ARG A 24 23.819 12.308 0.781 1.00 0.00 N ATOM 390 NH2 ARG A 24 24.296 12.867 -1.356 1.00 0.00 N ATOM 0 H ARG A 24 28.135 8.485 0.366 1.00 0.00 H new ATOM 0 HA ARG A 24 30.390 10.203 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 24 27.416 10.279 1.511 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.511 11.543 2.033 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.168 11.979 -0.336 1.00 0.00 H new ATOM 0 HG3 ARG A 24 28.124 10.680 -0.878 1.00 0.00 H new ATOM 0 HD2 ARG A 24 27.091 13.042 0.763 1.00 0.00 H new ATOM 0 HD3 ARG A 24 27.117 13.055 -0.989 1.00 0.00 H new ATOM 0 HE ARG A 24 25.821 10.640 -0.085 1.00 0.00 H new ATOM 0 HH11 ARG A 24 24.077 11.843 1.651 1.00 0.00 H new ATOM 0 HH12 ARG A 24 22.923 12.790 0.707 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.928 12.839 -2.156 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.400 13.349 -1.430 1.00 0.00 H new ATOM 404 N ASN A 25 30.492 10.376 3.399 1.00 0.00 N ATOM 405 CA ASN A 25 30.864 10.243 4.805 1.00 0.00 C ATOM 406 C ASN A 25 31.258 8.804 5.127 1.00 0.00 C ATOM 407 O ASN A 25 30.905 8.274 6.180 1.00 0.00 O ATOM 408 CB ASN A 25 29.698 10.688 5.695 1.00 0.00 C ATOM 409 CG ASN A 25 29.679 12.205 5.869 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.578 12.895 5.391 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.845 12.731 6.723 1.00 0.00 N ATOM 0 H ASN A 25 30.794 11.252 2.972 1.00 0.00 H new ATOM 0 HA ASN A 25 31.726 10.882 5.000 1.00 0.00 H new ATOM 0 HB2 ASN A 25 28.756 10.359 5.256 1.00 0.00 H new ATOM 0 HB3 ASN A 25 29.779 10.209 6.671 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.940 13.710 6.992 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.098 12.163 7.122 1.00 0.00 H new ATOM 418 N GLY A 26 32.214 8.289 4.362 1.00 0.00 N ATOM 419 CA GLY A 26 32.814 6.999 4.680 1.00 0.00 C ATOM 420 C GLY A 26 31.819 5.857 4.496 1.00 0.00 C ATOM 421 O GLY A 26 31.950 4.808 5.127 1.00 0.00 O ATOM 0 H GLY A 26 32.587 8.739 3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.682 6.833 4.041 1.00 0.00 H new ATOM 0 HA3 GLY A 26 33.173 7.008 5.709 1.00 0.00 H new ATOM 425 N LYS A 27 30.802 6.070 3.667 1.00 0.00 N ATOM 426 CA LYS A 27 29.807 5.032 3.412 1.00 0.00 C ATOM 427 C LYS A 27 30.173 4.322 2.113 1.00 0.00 C ATOM 428 O LYS A 27 30.836 4.901 1.253 1.00 0.00 O ATOM 429 CB LYS A 27 28.399 5.631 3.299 1.00 0.00 C ATOM 430 CG LYS A 27 28.143 6.720 4.354 1.00 0.00 C ATOM 431 CD LYS A 27 27.052 6.308 5.346 1.00 0.00 C ATOM 432 CE LYS A 27 27.007 7.336 6.479 1.00 0.00 C ATOM 433 NZ LYS A 27 25.734 7.189 7.239 1.00 0.00 N ATOM 0 H LYS A 27 30.645 6.943 3.164 1.00 0.00 H new ATOM 0 HA LYS A 27 29.803 4.328 4.244 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.265 6.054 2.303 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.659 4.838 3.411 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.067 6.926 4.895 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.851 7.645 3.857 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.086 6.255 4.845 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.259 5.315 5.745 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.858 7.195 7.145 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.085 8.344 6.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.706 7.889 8.008 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.928 7.345 6.600 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.678 6.231 7.640 1.00 0.00 H new ATOM 447 N LYS A 28 29.751 3.070 1.969 1.00 0.00 N ATOM 448 CA LYS A 28 29.992 2.327 0.737 1.00 0.00 C ATOM 449 C LYS A 28 28.676 1.782 0.200 1.00 0.00 C ATOM 450 O LYS A 28 27.826 1.392 0.999 1.00 0.00 O ATOM 451 CB LYS A 28 30.972 1.183 1.006 1.00 0.00 C ATOM 452 CG LYS A 28 32.203 1.743 1.723 1.00 0.00 C ATOM 453 CD LYS A 28 33.328 0.708 1.697 1.00 0.00 C ATOM 454 CE LYS A 28 34.507 1.224 2.525 1.00 0.00 C ATOM 455 NZ LYS A 28 34.880 2.590 2.056 1.00 0.00 N ATOM 0 H LYS A 28 29.243 2.551 2.685 1.00 0.00 H new ATOM 0 HA LYS A 28 30.427 2.993 -0.008 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.497 0.415 1.617 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.265 0.709 0.069 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.531 2.663 1.239 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.952 1.996 2.753 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.974 -0.241 2.099 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.643 0.522 0.670 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.240 1.250 3.581 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.357 0.549 2.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.811 2.847 2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.920 2.601 1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.169 3.275 2.383 1.00 0.00 H new ATOM 469 N CYS A 29 28.686 1.347 -1.055 1.00 0.00 N ATOM 470 CA CYS A 29 27.496 0.700 -1.589 1.00 0.00 C ATOM 471 C CYS A 29 27.646 -0.786 -1.325 1.00 0.00 C ATOM 472 O CYS A 29 28.391 -1.491 -2.001 1.00 0.00 O ATOM 473 CB CYS A 29 27.343 0.901 -3.096 1.00 0.00 C ATOM 474 SG CYS A 29 26.579 2.517 -3.362 1.00 0.00 S ATOM 0 H CYS A 29 29.473 1.426 -1.700 1.00 0.00 H new ATOM 0 HA CYS A 29 26.618 1.134 -1.110 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.314 0.852 -3.589 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.727 0.111 -3.526 1.00 0.00 H new ATOM 479 N CYS A 30 26.857 -1.266 -0.378 1.00 0.00 N ATOM 480 CA CYS A 30 26.745 -2.705 -0.233 1.00 0.00 C ATOM 481 C CYS A 30 25.709 -3.222 -1.221 1.00 0.00 C ATOM 482 O CYS A 30 24.507 -3.067 -1.002 1.00 0.00 O ATOM 483 CB CYS A 30 26.340 -3.059 1.196 1.00 0.00 C ATOM 484 SG CYS A 30 27.538 -2.387 2.376 1.00 0.00 S ATOM 0 H CYS A 30 26.307 -0.708 0.275 1.00 0.00 H new ATOM 0 HA CYS A 30 27.708 -3.171 -0.440 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.348 -2.661 1.409 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.280 -4.142 1.306 1.00 0.00 H new ATOM 489 N VAL A 31 26.160 -4.062 -2.146 1.00 0.00 N ATOM 490 CA VAL A 31 25.238 -4.678 -3.092 1.00 0.00 C ATOM 491 C VAL A 31 24.708 -5.950 -2.445 1.00 0.00 C ATOM 492 O VAL A 31 25.436 -6.927 -2.269 1.00 0.00 O ATOM 493 CB VAL A 31 25.959 -4.970 -4.414 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.407 -6.220 -5.112 1.00 0.00 C ATOM 495 CG2 VAL A 31 25.851 -3.763 -5.351 1.00 0.00 C ATOM 0 H VAL A 31 27.138 -4.328 -2.260 1.00 0.00 H new ATOM 0 HA VAL A 31 24.407 -4.013 -3.326 1.00 0.00 H new ATOM 0 HB VAL A 31 27.006 -5.160 -4.176 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.949 -6.386 -6.043 1.00 0.00 H new ATOM 0 HG12 VAL A 31 25.531 -7.085 -4.461 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.348 -6.078 -5.329 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.366 -3.981 -6.286 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.801 -3.554 -5.555 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.309 -2.894 -4.879 1.00 0.00 H new ATOM 505 N ASN A 32 23.390 -5.967 -2.291 1.00 0.00 N ATOM 506 CA ASN A 32 22.702 -7.072 -1.642 1.00 0.00 C ATOM 507 C ASN A 32 23.297 -8.410 -2.067 1.00 0.00 C ATOM 508 O ASN A 32 23.823 -8.465 -3.168 1.00 0.00 O ATOM 509 CB ASN A 32 21.220 -7.022 -2.011 1.00 0.00 C ATOM 510 CG ASN A 32 20.425 -7.924 -1.074 1.00 0.00 C ATOM 511 OD1 ASN A 32 20.144 -9.073 -1.412 1.00 0.00 O ATOM 512 ND2 ASN A 32 20.120 -7.497 0.121 1.00 0.00 N ATOM 513 OXT ASN A 32 23.440 -9.264 -1.208 1.00 0.00 O ATOM 0 H ASN A 32 22.773 -5.220 -2.610 1.00 0.00 H new ATOM 0 HA ASN A 32 22.821 -6.977 -0.563 1.00 0.00 H new ATOM 0 HB2 ASN A 32 20.853 -5.998 -1.943 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.082 -7.342 -3.044 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.647 -8.117 0.779 1.00 0.00 H new ATOM 0 HD22 ASN A 32 20.355 -6.544 0.397 1.00 0.00 H new TER 520 ASN A 32