USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=8 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+ -158:sc= -0.076 (180deg=-0.629) USER MOD Single : A 1 LYS NZ :NH3+ 155:sc= -0.0988 (180deg=-0.572) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN :FLIP amide:sc= -4.11! C(o=-7.1!,f=-4.1!) 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+ -166:sc= 0 (180deg=-0.146) USER MOD Single : A 16 ASN : amide:sc= -1.28! C(o=-1.3!,f=-6.1!) USER MOD Single : A 18 LYS NZ :NH3+ 159:sc= -0.0112 (180deg=-0.202) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=-0.069) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -148:sc= 0 (180deg=-0.015) USER MOD Single : A 32 ASN :FLIP amide:sc= -1.62! C(o=-3!,f=-1.6!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.890 8.274 -5.044 1.00 0.00 N ATOM 2 CA LYS A 1 25.641 8.564 -5.802 1.00 0.00 C ATOM 3 C LYS A 1 24.592 7.506 -5.475 1.00 0.00 C ATOM 4 O LYS A 1 24.078 7.455 -4.358 1.00 0.00 O ATOM 5 CB LYS A 1 25.947 8.561 -7.301 1.00 0.00 C ATOM 6 CG LYS A 1 26.940 9.683 -7.614 1.00 0.00 C ATOM 7 CD LYS A 1 27.245 9.694 -9.114 1.00 0.00 C ATOM 8 CE LYS A 1 28.492 10.541 -9.376 1.00 0.00 C ATOM 9 NZ LYS A 1 29.689 9.847 -8.825 1.00 0.00 N ATOM 0 H1 LYS A 1 27.454 9.144 -4.958 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.647 7.924 -4.095 1.00 0.00 H new ATOM 0 H3 LYS A 1 27.442 7.551 -5.548 1.00 0.00 H new ATOM 0 HA LYS A 1 25.255 9.544 -5.520 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.363 7.598 -7.598 1.00 0.00 H new ATOM 0 HB3 LYS A 1 25.029 8.702 -7.872 1.00 0.00 H new ATOM 0 HG2 LYS A 1 26.526 10.644 -7.310 1.00 0.00 H new ATOM 0 HG3 LYS A 1 27.859 9.538 -7.047 1.00 0.00 H new ATOM 0 HD2 LYS A 1 27.402 8.676 -9.471 1.00 0.00 H new ATOM 0 HD3 LYS A 1 26.396 10.098 -9.665 1.00 0.00 H new ATOM 0 HE2 LYS A 1 28.615 10.705 -10.447 1.00 0.00 H new ATOM 0 HE3 LYS A 1 28.382 11.522 -8.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 30.538 10.161 -9.337 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 29.789 10.076 -7.815 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 29.577 8.819 -8.937 1.00 0.00 H new ATOM 25 N LYS A 2 24.301 6.642 -6.443 1.00 0.00 N ATOM 26 CA LYS A 2 23.359 5.544 -6.247 1.00 0.00 C ATOM 27 C LYS A 2 24.102 4.213 -6.234 1.00 0.00 C ATOM 28 O LYS A 2 25.084 4.030 -6.953 1.00 0.00 O ATOM 29 CB LYS A 2 22.326 5.545 -7.379 1.00 0.00 C ATOM 30 CG LYS A 2 21.253 6.601 -7.105 1.00 0.00 C ATOM 31 CD LYS A 2 20.379 6.803 -8.345 1.00 0.00 C ATOM 32 CE LYS A 2 19.420 5.624 -8.515 1.00 0.00 C ATOM 33 NZ LYS A 2 18.466 5.922 -9.620 1.00 0.00 N ATOM 0 H LYS A 2 24.707 6.682 -7.378 1.00 0.00 H new ATOM 0 HA LYS A 2 22.852 5.677 -5.291 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.817 5.751 -8.330 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.866 4.560 -7.464 1.00 0.00 H new ATOM 0 HG2 LYS A 2 20.635 6.291 -6.262 1.00 0.00 H new ATOM 0 HG3 LYS A 2 21.724 7.544 -6.826 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.814 7.730 -8.253 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.008 6.900 -9.230 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.979 4.715 -8.737 1.00 0.00 H new ATOM 0 HE3 LYS A 2 18.876 5.446 -7.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.812 5.122 -9.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.926 6.780 -9.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.994 6.072 -10.503 1.00 0.00 H new ATOM 47 N CYS A 3 23.571 3.251 -5.484 1.00 0.00 N ATOM 48 CA CYS A 3 24.172 1.924 -5.428 1.00 0.00 C ATOM 49 C CYS A 3 23.609 1.015 -6.512 1.00 0.00 C ATOM 50 O CYS A 3 23.161 1.492 -7.555 1.00 0.00 O ATOM 51 CB CYS A 3 23.919 1.274 -4.067 1.00 0.00 C ATOM 52 SG CYS A 3 24.722 2.239 -2.764 1.00 0.00 S ATOM 0 H CYS A 3 22.734 3.364 -4.912 1.00 0.00 H new ATOM 0 HA CYS A 3 25.243 2.050 -5.586 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.847 1.212 -3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.303 0.254 -4.065 1.00 0.00 H new ATOM 57 N TRP A 4 24.036 -0.239 -6.417 1.00 0.00 N ATOM 58 CA TRP A 4 23.842 -1.223 -7.476 1.00 0.00 C ATOM 59 C TRP A 4 23.222 -2.475 -6.858 1.00 0.00 C ATOM 60 O TRP A 4 23.162 -2.599 -5.635 1.00 0.00 O ATOM 61 CB TRP A 4 25.191 -1.543 -8.135 1.00 0.00 C ATOM 62 CG TRP A 4 26.151 -0.416 -7.928 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.890 -0.232 -6.810 1.00 0.00 C ATOM 64 CD2 TRP A 4 26.608 0.584 -8.887 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.689 0.880 -6.979 1.00 0.00 N ATOM 66 CE2 TRP A 4 27.564 1.412 -8.245 1.00 0.00 C ATOM 67 CE3 TRP A 4 26.222 0.909 -10.197 1.00 0.00 C ATOM 68 CZ2 TRP A 4 28.136 2.509 -8.897 1.00 0.00 C ATOM 69 CZ3 TRP A 4 26.830 1.978 -10.870 1.00 0.00 C ATOM 70 CH2 TRP A 4 27.769 2.787 -10.218 1.00 0.00 C ATOM 0 H TRP A 4 24.528 -0.603 -5.601 1.00 0.00 H new ATOM 0 HA TRP A 4 23.176 -0.835 -8.247 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.601 -2.461 -7.713 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.050 -1.718 -9.202 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.859 -0.855 -5.928 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.298 1.262 -6.255 1.00 0.00 H new ATOM 0 HE3 TRP A 4 25.453 0.332 -10.689 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 28.853 3.135 -8.386 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 26.572 2.179 -11.899 1.00 0.00 H new ATOM 0 HH2 TRP A 4 28.210 3.626 -10.735 1.00 0.00 H new ATOM 81 N ASN A 5 22.657 -3.339 -7.693 1.00 0.00 N ATOM 82 CA ASN A 5 22.000 -4.541 -7.195 1.00 0.00 C ATOM 83 C ASN A 5 20.907 -4.193 -6.192 1.00 0.00 C ATOM 84 O ASN A 5 20.754 -4.867 -5.173 1.00 0.00 O ATOM 85 CB ASN A 5 23.012 -5.464 -6.513 1.00 0.00 C ATOM 86 CG ASN A 5 24.098 -5.868 -7.506 1.00 0.00 C ATOM 87 OD1 ASN A 5 24.606 -4.970 -8.304 1.00 0.00 O flip ATOM 88 ND2 ASN A 5 24.362 -7.059 -7.678 1.00 0.00 N flip ATOM 0 H ASN A 5 22.640 -3.232 -8.707 1.00 0.00 H new ATOM 0 HA ASN A 5 21.556 -5.047 -8.052 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.459 -4.958 -5.657 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.508 -6.352 -6.131 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.967 -7.764 -7.056 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.976 -7.340 -8.442 1.00 0.00 H new ATOM 95 N GLY A 6 20.233 -3.072 -6.421 1.00 0.00 N ATOM 96 CA GLY A 6 19.219 -2.612 -5.484 1.00 0.00 C ATOM 97 C GLY A 6 19.827 -2.405 -4.101 1.00 0.00 C ATOM 98 O GLY A 6 19.109 -2.228 -3.115 1.00 0.00 O ATOM 0 H GLY A 6 20.368 -2.473 -7.236 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.783 -1.679 -5.840 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.410 -3.340 -5.427 1.00 0.00 H new ATOM 102 N GLY A 7 21.154 -2.331 -4.058 1.00 0.00 N ATOM 103 CA GLY A 7 21.865 -2.122 -2.802 1.00 0.00 C ATOM 104 C GLY A 7 21.558 -0.739 -2.236 1.00 0.00 C ATOM 105 O GLY A 7 20.879 0.060 -2.880 1.00 0.00 O ATOM 0 H GLY A 7 21.757 -2.412 -4.877 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.576 -2.888 -2.082 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.938 -2.225 -2.964 1.00 0.00 H new ATOM 109 N ARG A 8 22.228 -0.390 -1.142 1.00 0.00 N ATOM 110 CA ARG A 8 22.098 0.940 -0.554 1.00 0.00 C ATOM 111 C ARG A 8 23.455 1.438 -0.063 1.00 0.00 C ATOM 112 O ARG A 8 24.401 0.656 0.032 1.00 0.00 O ATOM 113 CB ARG A 8 21.098 0.892 0.605 1.00 0.00 C ATOM 114 CG ARG A 8 21.443 -0.221 1.606 1.00 0.00 C ATOM 115 CD ARG A 8 21.931 0.370 2.932 1.00 0.00 C ATOM 116 NE ARG A 8 20.928 1.269 3.490 1.00 0.00 N ATOM 117 CZ ARG A 8 19.890 0.804 4.179 1.00 0.00 C ATOM 118 NH1 ARG A 8 20.062 -0.164 5.036 1.00 0.00 N ATOM 119 NH2 ARG A 8 18.715 1.352 4.040 1.00 0.00 N ATOM 0 H ARG A 8 22.867 -1.010 -0.644 1.00 0.00 H new ATOM 0 HA ARG A 8 21.733 1.632 -1.313 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.089 1.854 1.118 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.094 0.731 0.213 1.00 0.00 H new ATOM 0 HG2 ARG A 8 20.565 -0.843 1.781 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.213 -0.868 1.186 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.142 -0.432 3.639 1.00 0.00 H new ATOM 0 HD3 ARG A 8 22.865 0.910 2.775 1.00 0.00 H new ATOM 0 HE ARG A 8 21.024 2.275 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.991 -0.562 5.176 1.00 0.00 H new ATOM 0 HH12 ARG A 8 19.268 -0.523 5.566 1.00 0.00 H new ATOM 0 HH21 ARG A 8 18.591 2.138 3.402 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.920 0.994 4.569 1.00 0.00 H new ATOM 133 N CYS A 9 23.509 2.684 0.406 1.00 0.00 N ATOM 134 CA CYS A 9 24.746 3.245 0.944 1.00 0.00 C ATOM 135 C CYS A 9 24.627 3.330 2.462 1.00 0.00 C ATOM 136 O CYS A 9 23.807 4.085 2.984 1.00 0.00 O ATOM 137 CB CYS A 9 25.001 4.646 0.372 1.00 0.00 C ATOM 138 SG CYS A 9 25.879 4.536 -1.209 1.00 0.00 S ATOM 0 H CYS A 9 22.713 3.322 0.424 1.00 0.00 H new ATOM 0 HA CYS A 9 25.580 2.602 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.053 5.166 0.233 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.586 5.233 1.080 1.00 0.00 H new ATOM 143 N ARG A 10 25.601 2.735 3.143 1.00 0.00 N ATOM 144 CA ARG A 10 25.738 2.881 4.589 1.00 0.00 C ATOM 145 C ARG A 10 27.143 2.474 5.022 1.00 0.00 C ATOM 146 O ARG A 10 27.803 1.678 4.354 1.00 0.00 O ATOM 147 CB ARG A 10 24.702 2.032 5.334 1.00 0.00 C ATOM 148 CG ARG A 10 23.329 2.715 5.346 1.00 0.00 C ATOM 149 CD ARG A 10 22.490 2.173 6.506 1.00 0.00 C ATOM 150 NE ARG A 10 21.132 2.697 6.421 1.00 0.00 N ATOM 151 CZ ARG A 10 20.467 3.098 7.501 1.00 0.00 C ATOM 152 NH1 ARG A 10 20.605 4.322 7.932 1.00 0.00 N ATOM 153 NH2 ARG A 10 19.646 2.283 8.105 1.00 0.00 N ATOM 0 H ARG A 10 26.312 2.143 2.714 1.00 0.00 H new ATOM 0 HA ARG A 10 25.566 3.928 4.840 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.620 1.054 4.859 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.036 1.862 6.358 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.450 3.794 5.446 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.816 2.538 4.401 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.472 1.084 6.476 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.941 2.458 7.457 1.00 0.00 H new ATOM 0 HE ARG A 10 20.680 2.758 5.509 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.222 4.969 7.441 1.00 0.00 H new ATOM 0 HH12 ARG A 10 20.096 4.632 8.760 1.00 0.00 H new ATOM 0 HH21 ARG A 10 19.513 1.336 7.749 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.137 2.593 8.933 1.00 0.00 H new ATOM 167 N LYS A 11 27.540 2.931 6.206 1.00 0.00 N ATOM 168 CA LYS A 11 28.822 2.543 6.780 1.00 0.00 C ATOM 169 C LYS A 11 28.857 1.033 6.988 1.00 0.00 C ATOM 170 O LYS A 11 29.921 0.438 7.155 1.00 0.00 O ATOM 171 CB LYS A 11 29.025 3.241 8.125 1.00 0.00 C ATOM 172 CG LYS A 11 28.970 4.756 7.926 1.00 0.00 C ATOM 173 CD LYS A 11 29.247 5.457 9.257 1.00 0.00 C ATOM 174 CE LYS A 11 28.817 6.923 9.165 1.00 0.00 C ATOM 175 NZ LYS A 11 29.271 7.652 10.381 1.00 0.00 N ATOM 0 H LYS A 11 26.993 3.569 6.785 1.00 0.00 H new ATOM 0 HA LYS A 11 29.618 2.837 6.096 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.254 2.928 8.829 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.985 2.954 8.554 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.705 5.062 7.182 1.00 0.00 H new ATOM 0 HG3 LYS A 11 27.991 5.048 7.546 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.706 4.959 10.061 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.308 5.393 9.499 1.00 0.00 H new ATOM 0 HE2 LYS A 11 29.243 7.382 8.273 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.733 6.990 9.072 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 28.979 8.648 10.318 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.845 7.219 11.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.307 7.599 10.451 1.00 0.00 H new ATOM 189 N LYS A 12 27.682 0.423 6.872 1.00 0.00 N ATOM 190 CA LYS A 12 27.533 -1.024 6.969 1.00 0.00 C ATOM 191 C LYS A 12 26.661 -1.528 5.825 1.00 0.00 C ATOM 192 O LYS A 12 26.209 -0.737 4.997 1.00 0.00 O ATOM 193 CB LYS A 12 26.869 -1.391 8.298 1.00 0.00 C ATOM 194 CG LYS A 12 27.651 -0.773 9.459 1.00 0.00 C ATOM 195 CD LYS A 12 27.286 -1.481 10.766 1.00 0.00 C ATOM 196 CE LYS A 12 25.807 -1.260 11.085 1.00 0.00 C ATOM 197 NZ LYS A 12 25.518 -1.755 12.461 1.00 0.00 N ATOM 0 H LYS A 12 26.806 0.919 6.708 1.00 0.00 H new ATOM 0 HA LYS A 12 28.519 -1.485 6.913 1.00 0.00 H new ATOM 0 HB2 LYS A 12 25.839 -1.034 8.311 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.832 -2.475 8.409 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.722 -0.859 9.275 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.426 0.291 9.536 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.493 -2.548 10.681 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.903 -1.100 11.580 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.561 -0.201 11.009 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.185 -1.784 10.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.512 -1.605 12.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.738 -2.770 12.518 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 26.102 -1.235 13.147 1.00 0.00 H new ATOM 211 N CYS A 13 26.545 -2.847 5.692 1.00 0.00 N ATOM 212 CA CYS A 13 25.764 -3.431 4.606 1.00 0.00 C ATOM 213 C CYS A 13 24.456 -4.009 5.125 1.00 0.00 C ATOM 214 O CYS A 13 24.431 -4.804 6.065 1.00 0.00 O ATOM 215 CB CYS A 13 26.579 -4.517 3.903 1.00 0.00 C ATOM 216 SG CYS A 13 28.133 -3.776 3.347 1.00 0.00 S ATOM 0 H CYS A 13 26.978 -3.526 6.317 1.00 0.00 H new ATOM 0 HA CYS A 13 25.526 -2.643 3.892 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.774 -5.347 4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.025 -4.921 3.056 1.00 0.00 H new ATOM 221 N LYS A 14 23.371 -3.542 4.516 1.00 0.00 N ATOM 222 CA LYS A 14 22.033 -3.982 4.884 1.00 0.00 C ATOM 223 C LYS A 14 22.011 -5.491 5.101 1.00 0.00 C ATOM 224 O LYS A 14 22.987 -6.191 4.830 1.00 0.00 O ATOM 225 CB LYS A 14 21.038 -3.539 3.806 1.00 0.00 C ATOM 226 CG LYS A 14 19.735 -4.336 3.904 1.00 0.00 C ATOM 227 CD LYS A 14 18.690 -3.721 2.972 1.00 0.00 C ATOM 228 CE LYS A 14 17.372 -4.483 3.126 1.00 0.00 C ATOM 229 NZ LYS A 14 17.498 -5.827 2.496 1.00 0.00 N ATOM 0 H LYS A 14 23.394 -2.856 3.762 1.00 0.00 H new ATOM 0 HA LYS A 14 21.737 -3.521 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.827 -2.475 3.915 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.480 -3.677 2.819 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.912 -5.377 3.633 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.370 -4.331 4.931 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.546 -2.668 3.212 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.033 -3.768 1.939 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.121 -4.587 4.182 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.561 -3.925 2.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.554 -6.249 2.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.945 -5.732 1.562 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.084 -6.440 3.099 1.00 0.00 H new ATOM 243 N GLU A 15 20.935 -5.971 5.713 1.00 0.00 N ATOM 244 CA GLU A 15 20.799 -7.395 5.990 1.00 0.00 C ATOM 245 C GLU A 15 21.301 -8.239 4.822 1.00 0.00 C ATOM 246 O GLU A 15 20.786 -8.155 3.706 1.00 0.00 O ATOM 247 CB GLU A 15 19.330 -7.719 6.265 1.00 0.00 C ATOM 248 CG GLU A 15 18.911 -7.079 7.590 1.00 0.00 C ATOM 249 CD GLU A 15 19.591 -7.797 8.750 1.00 0.00 C ATOM 250 OE1 GLU A 15 19.850 -7.153 9.753 1.00 0.00 O ATOM 251 OE2 GLU A 15 19.802 -8.994 8.636 1.00 0.00 O ATOM 0 H GLU A 15 20.150 -5.400 6.025 1.00 0.00 H new ATOM 0 HA GLU A 15 21.405 -7.634 6.864 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.705 -7.345 5.454 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.185 -8.799 6.307 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.181 -6.023 7.596 1.00 0.00 H new ATOM 0 HG3 GLU A 15 17.828 -7.131 7.703 1.00 0.00 H new ATOM 258 N ASN A 16 22.343 -9.021 5.087 1.00 0.00 N ATOM 259 CA ASN A 16 22.865 -9.959 4.100 1.00 0.00 C ATOM 260 C ASN A 16 23.308 -9.233 2.835 1.00 0.00 C ATOM 261 O ASN A 16 22.932 -9.621 1.729 1.00 0.00 O ATOM 262 CB ASN A 16 21.790 -10.982 3.727 1.00 0.00 C ATOM 263 CG ASN A 16 21.263 -11.664 4.984 1.00 0.00 C ATOM 264 OD1 ASN A 16 21.091 -11.018 6.017 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.979 -12.938 4.952 1.00 0.00 N ATOM 0 H ASN A 16 22.842 -9.023 5.977 1.00 0.00 H new ATOM 0 HA ASN A 16 23.724 -10.462 4.543 1.00 0.00 H new ATOM 0 HB2 ASN A 16 20.973 -10.488 3.201 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.204 -11.726 3.046 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.614 -13.400 5.785 1.00 0.00 H new ATOM 0 HD22 ASN A 16 21.123 -13.471 4.094 1.00 0.00 H new ATOM 272 N GLU A 17 24.149 -8.214 2.996 1.00 0.00 N ATOM 273 CA GLU A 17 24.612 -7.424 1.860 1.00 0.00 C ATOM 274 C GLU A 17 26.133 -7.320 1.829 1.00 0.00 C ATOM 275 O GLU A 17 26.780 -7.135 2.861 1.00 0.00 O ATOM 276 CB GLU A 17 23.985 -6.025 1.927 1.00 0.00 C ATOM 277 CG GLU A 17 22.476 -6.065 1.643 1.00 0.00 C ATOM 278 CD GLU A 17 22.035 -5.004 0.636 1.00 0.00 C ATOM 279 OE1 GLU A 17 22.841 -4.164 0.268 1.00 0.00 O ATOM 280 OE2 GLU A 17 20.860 -4.990 0.310 1.00 0.00 O ATOM 0 H GLU A 17 24.522 -7.918 3.898 1.00 0.00 H new ATOM 0 HA GLU A 17 24.302 -7.925 0.943 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.158 -5.595 2.914 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.474 -5.372 1.204 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.208 -7.052 1.265 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.931 -5.922 2.576 1.00 0.00 H new ATOM 287 N LYS A 18 26.702 -7.574 0.653 1.00 0.00 N ATOM 288 CA LYS A 18 28.151 -7.565 0.480 1.00 0.00 C ATOM 289 C LYS A 18 28.638 -6.123 0.339 1.00 0.00 C ATOM 290 O LYS A 18 28.189 -5.425 -0.571 1.00 0.00 O ATOM 291 CB LYS A 18 28.514 -8.384 -0.766 1.00 0.00 C ATOM 292 CG LYS A 18 29.084 -9.751 -0.371 1.00 0.00 C ATOM 293 CD LYS A 18 28.071 -10.552 0.462 1.00 0.00 C ATOM 294 CE LYS A 18 27.758 -11.893 -0.207 1.00 0.00 C ATOM 295 NZ LYS A 18 28.992 -12.729 -0.244 1.00 0.00 N ATOM 0 H LYS A 18 26.179 -7.789 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 18 28.635 -8.011 1.349 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.629 -8.520 -1.388 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.244 -7.840 -1.365 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.347 -10.312 -1.268 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.002 -9.615 0.200 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.470 -10.723 1.462 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.153 -9.976 0.579 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.971 -12.411 0.342 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.386 -11.729 -1.218 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.730 -13.729 -0.356 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 29.587 -12.435 -1.045 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.521 -12.607 0.643 1.00 0.00 H new ATOM 309 N PRO A 19 29.593 -5.675 1.113 1.00 0.00 N ATOM 310 CA PRO A 19 30.142 -4.303 0.922 1.00 0.00 C ATOM 311 C PRO A 19 30.779 -4.156 -0.454 1.00 0.00 C ATOM 312 O PRO A 19 31.816 -4.766 -0.711 1.00 0.00 O ATOM 313 CB PRO A 19 31.165 -4.113 2.049 1.00 0.00 C ATOM 314 CG PRO A 19 31.050 -5.286 2.973 1.00 0.00 C ATOM 315 CD PRO A 19 30.133 -6.327 2.319 1.00 0.00 C ATOM 0 HA PRO A 19 29.363 -3.542 0.966 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.174 -4.045 1.642 1.00 0.00 H new ATOM 0 HB3 PRO A 19 30.974 -3.184 2.586 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.033 -5.715 3.167 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.644 -4.973 3.935 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.686 -7.231 2.062 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.332 -6.625 2.996 1.00 0.00 H new ATOM 323 N ILE A 20 30.343 -3.149 -1.210 1.00 0.00 N ATOM 324 CA ILE A 20 31.048 -2.759 -2.429 1.00 0.00 C ATOM 325 C ILE A 20 31.105 -1.243 -2.584 1.00 0.00 C ATOM 326 O ILE A 20 30.480 -0.500 -1.829 1.00 0.00 O ATOM 327 CB ILE A 20 30.466 -3.443 -3.678 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.384 -2.639 -4.425 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.862 -4.794 -3.284 1.00 0.00 C ATOM 330 CD1 ILE A 20 29.491 -2.911 -5.927 1.00 0.00 C ATOM 0 H ILE A 20 29.513 -2.594 -1.002 1.00 0.00 H new ATOM 0 HA ILE A 20 32.075 -3.111 -2.330 1.00 0.00 H new ATOM 0 HB ILE A 20 31.308 -3.542 -4.363 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.394 -2.918 -4.064 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.506 -1.574 -4.228 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.449 -5.280 -4.168 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.637 -5.427 -2.851 1.00 0.00 H new ATOM 0 HG23 ILE A 20 29.069 -4.639 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.726 -2.342 -6.455 1.00 0.00 H new ATOM 0 HD12 ILE A 20 30.477 -2.610 -6.282 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.347 -3.975 -6.115 1.00 0.00 H new ATOM 342 N GLY A 21 31.644 -0.837 -3.730 1.00 0.00 N ATOM 343 CA GLY A 21 31.480 0.527 -4.216 1.00 0.00 C ATOM 344 C GLY A 21 31.753 1.532 -3.104 1.00 0.00 C ATOM 345 O GLY A 21 32.191 1.144 -2.021 1.00 0.00 O ATOM 0 H GLY A 21 32.200 -1.436 -4.340 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.160 0.706 -5.049 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.467 0.664 -4.596 1.00 0.00 H new ATOM 349 N TYR A 22 31.742 2.814 -3.455 1.00 0.00 N ATOM 350 CA TYR A 22 32.094 3.872 -2.512 1.00 0.00 C ATOM 351 C TYR A 22 30.974 4.906 -2.448 1.00 0.00 C ATOM 352 O TYR A 22 30.084 4.915 -3.298 1.00 0.00 O ATOM 353 CB TYR A 22 33.399 4.542 -2.953 1.00 0.00 C ATOM 354 CG TYR A 22 34.033 5.268 -1.788 1.00 0.00 C ATOM 355 CD1 TYR A 22 33.661 6.586 -1.492 1.00 0.00 C ATOM 356 CD2 TYR A 22 34.970 4.608 -0.984 1.00 0.00 C ATOM 357 CE1 TYR A 22 34.248 7.253 -0.410 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.538 5.266 0.113 1.00 0.00 C ATOM 359 CZ TYR A 22 35.155 6.578 0.418 1.00 0.00 C ATOM 360 OH TYR A 22 35.727 7.231 1.491 1.00 0.00 O ATOM 0 H TYR A 22 31.493 3.147 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 22 32.231 3.438 -1.522 1.00 0.00 H new ATOM 0 HB2 TYR A 22 34.088 3.792 -3.342 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.200 5.243 -3.763 1.00 0.00 H new ATOM 0 HD1 TYR A 22 32.921 7.087 -2.099 1.00 0.00 H new ATOM 0 HD2 TYR A 22 35.255 3.591 -1.210 1.00 0.00 H new ATOM 0 HE1 TYR A 22 34.002 8.286 -0.214 1.00 0.00 H new ATOM 0 HE2 TYR A 22 36.272 4.762 0.724 1.00 0.00 H new ATOM 0 HH TYR A 22 36.331 6.620 1.962 1.00 0.00 H new ATOM 370 N CYS A 23 30.895 5.602 -1.319 1.00 0.00 N ATOM 371 CA CYS A 23 29.794 6.522 -1.052 1.00 0.00 C ATOM 372 C CYS A 23 30.287 7.605 -0.094 1.00 0.00 C ATOM 373 O CYS A 23 31.495 7.783 0.070 1.00 0.00 O ATOM 374 CB CYS A 23 28.591 5.759 -0.479 1.00 0.00 C ATOM 375 SG CYS A 23 27.057 6.175 -1.348 1.00 0.00 S ATOM 0 H CYS A 23 31.585 5.546 -0.570 1.00 0.00 H new ATOM 0 HA CYS A 23 29.462 6.995 -1.976 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.772 4.687 -0.553 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.484 5.992 0.580 1.00 0.00 H new ATOM 380 N ARG A 24 29.377 8.479 0.325 1.00 0.00 N ATOM 381 CA ARG A 24 29.752 9.676 1.067 1.00 0.00 C ATOM 382 C ARG A 24 30.085 9.337 2.515 1.00 0.00 C ATOM 383 O ARG A 24 30.169 8.150 2.824 1.00 0.00 O ATOM 384 CB ARG A 24 28.600 10.681 1.052 1.00 0.00 C ATOM 385 CG ARG A 24 28.345 11.133 -0.387 1.00 0.00 C ATOM 386 CD ARG A 24 27.402 12.337 -0.379 1.00 0.00 C ATOM 387 NE ARG A 24 27.252 12.857 -1.732 1.00 0.00 N ATOM 388 CZ ARG A 24 28.253 13.494 -2.330 1.00 0.00 C ATOM 389 NH1 ARG A 24 28.619 14.672 -1.905 1.00 0.00 N ATOM 390 NH2 ARG A 24 28.985 12.869 -3.212 1.00 0.00 N ATOM 0 H ARG A 24 28.375 8.380 0.163 1.00 0.00 H new ATOM 0 HA ARG A 24 30.632 10.105 0.588 1.00 0.00 H new ATOM 0 HB2 ARG A 24 27.700 10.227 1.468 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.843 11.540 1.678 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.286 11.397 -0.870 1.00 0.00 H new ATOM 0 HG3 ARG A 24 27.908 10.318 -0.964 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.430 12.046 0.018 1.00 0.00 H new ATOM 0 HD3 ARG A 24 27.795 13.114 0.277 1.00 0.00 H new ATOM 0 HE ARG A 24 26.368 12.731 -2.226 1.00 0.00 H new ATOM 0 HH11 ARG A 24 28.137 15.102 -1.115 1.00 0.00 H new ATOM 0 HH12 ARG A 24 29.387 15.163 -2.362 1.00 0.00 H new ATOM 0 HH21 ARG A 24 28.788 11.895 -3.440 1.00 0.00 H new ATOM 0 HH22 ARG A 24 29.754 13.355 -3.673 1.00 0.00 H new ATOM 404 N ASN A 25 30.767 10.283 3.155 1.00 0.00 N ATOM 405 CA ASN A 25 31.114 10.193 4.571 1.00 0.00 C ATOM 406 C ASN A 25 31.353 8.753 5.011 1.00 0.00 C ATOM 407 O ASN A 25 30.948 8.373 6.109 1.00 0.00 O ATOM 408 CB ASN A 25 30.011 10.813 5.435 1.00 0.00 C ATOM 409 CG ASN A 25 29.343 11.974 4.708 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.019 12.885 4.228 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.040 12.063 4.722 1.00 0.00 N ATOM 0 H ASN A 25 31.096 11.137 2.705 1.00 0.00 H new ATOM 0 HA ASN A 25 32.043 10.748 4.707 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.267 10.056 5.681 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.434 11.163 6.377 1.00 0.00 H new ATOM 0 HD21 ASN A 25 27.581 12.888 4.335 1.00 0.00 H new ATOM 0 HD22 ASN A 25 27.481 11.308 5.120 1.00 0.00 H new ATOM 418 N GLY A 26 32.257 8.069 4.316 1.00 0.00 N ATOM 419 CA GLY A 26 32.679 6.739 4.736 1.00 0.00 C ATOM 420 C GLY A 26 31.787 5.659 4.131 1.00 0.00 C ATOM 421 O GLY A 26 32.181 4.497 4.043 1.00 0.00 O ATOM 0 H GLY A 26 32.707 8.411 3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.713 6.571 4.435 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.649 6.672 5.824 1.00 0.00 H new ATOM 425 N LYS A 27 30.530 6.009 3.877 1.00 0.00 N ATOM 426 CA LYS A 27 29.541 4.998 3.530 1.00 0.00 C ATOM 427 C LYS A 27 29.819 4.470 2.126 1.00 0.00 C ATOM 428 O LYS A 27 30.476 5.145 1.334 1.00 0.00 O ATOM 429 CB LYS A 27 28.126 5.580 3.627 1.00 0.00 C ATOM 430 CG LYS A 27 28.075 6.662 4.707 1.00 0.00 C ATOM 431 CD LYS A 27 26.619 6.973 5.057 1.00 0.00 C ATOM 432 CE LYS A 27 26.586 8.095 6.095 1.00 0.00 C ATOM 433 NZ LYS A 27 25.204 8.641 6.195 1.00 0.00 N ATOM 0 H LYS A 27 30.178 6.966 3.904 1.00 0.00 H new ATOM 0 HA LYS A 27 29.611 4.169 4.235 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.831 6.001 2.666 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.414 4.788 3.861 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.609 6.327 5.596 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.575 7.564 4.355 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.072 7.271 4.163 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.127 6.083 5.449 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.910 7.717 7.065 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.281 8.886 5.813 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.182 9.404 6.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.911 9.017 5.270 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.552 7.884 6.483 1.00 0.00 H new ATOM 447 N LYS A 28 29.655 3.161 1.963 1.00 0.00 N ATOM 448 CA LYS A 28 29.968 2.495 0.704 1.00 0.00 C ATOM 449 C LYS A 28 28.679 1.967 0.087 1.00 0.00 C ATOM 450 O LYS A 28 27.729 1.685 0.818 1.00 0.00 O ATOM 451 CB LYS A 28 30.943 1.345 0.961 1.00 0.00 C ATOM 452 CG LYS A 28 32.220 1.922 1.577 1.00 0.00 C ATOM 453 CD LYS A 28 33.313 0.853 1.623 1.00 0.00 C ATOM 454 CE LYS A 28 34.431 1.287 2.576 1.00 0.00 C ATOM 455 NZ LYS A 28 34.025 0.989 3.979 1.00 0.00 N ATOM 0 H LYS A 28 29.305 2.538 2.691 1.00 0.00 H new ATOM 0 HA LYS A 28 30.433 3.200 0.015 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.496 0.612 1.632 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.172 0.827 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.561 2.776 0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.015 2.286 2.584 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.891 -0.096 1.953 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.718 0.692 0.624 1.00 0.00 H new ATOM 0 HE2 LYS A 28 35.355 0.763 2.333 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.629 2.353 2.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 34.437 1.699 4.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 32.988 1.017 4.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 34.366 0.043 4.246 1.00 0.00 H new ATOM 469 N CYS A 29 28.739 1.533 -1.168 1.00 0.00 N ATOM 470 CA CYS A 29 27.590 0.842 -1.740 1.00 0.00 C ATOM 471 C CYS A 29 27.756 -0.650 -1.501 1.00 0.00 C ATOM 472 O CYS A 29 28.334 -1.366 -2.316 1.00 0.00 O ATOM 473 CB CYS A 29 27.462 1.115 -3.238 1.00 0.00 C ATOM 474 SG CYS A 29 26.570 2.673 -3.457 1.00 0.00 S ATOM 0 H CYS A 29 29.541 1.642 -1.789 1.00 0.00 H new ATOM 0 HA CYS A 29 26.683 1.209 -1.260 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.448 1.174 -3.699 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.929 0.300 -3.728 1.00 0.00 H new ATOM 479 N CYS A 30 26.930 -1.133 -0.584 1.00 0.00 N ATOM 480 CA CYS A 30 26.808 -2.569 -0.400 1.00 0.00 C ATOM 481 C CYS A 30 25.821 -3.130 -1.417 1.00 0.00 C ATOM 482 O CYS A 30 24.608 -2.983 -1.265 1.00 0.00 O ATOM 483 CB CYS A 30 26.344 -2.872 1.025 1.00 0.00 C ATOM 484 SG CYS A 30 27.519 -2.204 2.234 1.00 0.00 S ATOM 0 H CYS A 30 26.347 -0.565 0.031 1.00 0.00 H new ATOM 0 HA CYS A 30 27.778 -3.041 -0.555 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.357 -2.440 1.192 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.247 -3.949 1.161 1.00 0.00 H new ATOM 489 N VAL A 31 26.334 -4.005 -2.276 1.00 0.00 N ATOM 490 CA VAL A 31 25.500 -4.679 -3.264 1.00 0.00 C ATOM 491 C VAL A 31 24.935 -5.932 -2.613 1.00 0.00 C ATOM 492 O VAL A 31 25.659 -6.884 -2.319 1.00 0.00 O ATOM 493 CB VAL A 31 26.340 -5.008 -4.508 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.984 -6.358 -5.148 1.00 0.00 C ATOM 495 CG2 VAL A 31 26.217 -3.887 -5.546 1.00 0.00 C ATOM 0 H VAL A 31 27.320 -4.263 -2.308 1.00 0.00 H new ATOM 0 HA VAL A 31 24.676 -4.044 -3.590 1.00 0.00 H new ATOM 0 HB VAL A 31 27.372 -5.088 -4.166 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.616 -6.525 -6.020 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.145 -7.157 -4.425 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.938 -6.351 -5.454 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.817 -4.134 -6.421 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.173 -3.777 -5.841 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.573 -2.951 -5.115 1.00 0.00 H new ATOM 505 N ASN A 32 23.609 -5.966 -2.561 1.00 0.00 N ATOM 506 CA ASN A 32 22.916 -7.055 -1.892 1.00 0.00 C ATOM 507 C ASN A 32 23.358 -8.387 -2.489 1.00 0.00 C ATOM 508 O ASN A 32 23.210 -9.391 -1.811 1.00 0.00 O ATOM 509 CB ASN A 32 21.404 -6.872 -2.043 1.00 0.00 C ATOM 510 CG ASN A 32 20.666 -7.651 -0.959 1.00 0.00 C ATOM 511 OD1 ASN A 32 19.736 -7.054 -0.266 1.00 0.00 O flip ATOM 512 ND2 ASN A 32 21.034 -8.785 -0.650 1.00 0.00 N flip ATOM 513 OXT ASN A 32 24.034 -8.350 -3.503 1.00 0.00 O ATOM 0 H ASN A 32 22.999 -5.259 -2.970 1.00 0.00 H new ATOM 0 HA ASN A 32 23.163 -7.050 -0.830 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.150 -5.814 -1.977 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.086 -7.215 -3.027 1.00 0.00 H new ATOM 0 HD21 ASN A 32 21.761 -9.251 -1.193 1.00 0.00 H new ATOM 0 HD22 ASN A 32 20.611 -9.258 0.149 1.00 0.00 H new TER 520 ASN A 32