USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=4 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+ -163:sc= 0 (180deg=-0.247) 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+ 154:sc= -0.922 (180deg=-1.54) USER MOD Single : A 16 ASN : amide:sc= -0.0366 X(o=-0.037,f=-0.13) 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 X(o=0,f=-0.012) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 LYS NZ :NH3+ -159:sc= 0.115 (180deg=-0.44) USER MOD Single : A 32 ASN : amide:sc= -1.79! C(o=-1.8!,f=-3.8!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.675 8.264 -7.321 1.00 0.00 N ATOM 2 CA LYS A 1 25.307 8.829 -7.488 1.00 0.00 C ATOM 3 C LYS A 1 24.286 7.878 -6.871 1.00 0.00 C ATOM 4 O LYS A 1 23.473 8.278 -6.039 1.00 0.00 O ATOM 5 CB LYS A 1 25.014 9.018 -8.977 1.00 0.00 C ATOM 6 CG LYS A 1 25.871 10.162 -9.523 1.00 0.00 C ATOM 7 CD LYS A 1 25.570 10.360 -11.011 1.00 0.00 C ATOM 8 CE LYS A 1 26.363 11.559 -11.535 1.00 0.00 C ATOM 9 NZ LYS A 1 26.052 11.769 -12.977 1.00 0.00 N ATOM 0 H1 LYS A 1 27.381 9.013 -7.470 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.777 7.879 -6.360 1.00 0.00 H new ATOM 0 H3 LYS A 1 26.824 7.505 -8.016 1.00 0.00 H new ATOM 0 HA LYS A 1 25.244 9.794 -6.986 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.228 8.098 -9.521 1.00 0.00 H new ATOM 0 HB3 LYS A 1 23.957 9.238 -9.126 1.00 0.00 H new ATOM 0 HG2 LYS A 1 25.663 11.080 -8.974 1.00 0.00 H new ATOM 0 HG3 LYS A 1 26.928 9.938 -9.382 1.00 0.00 H new ATOM 0 HD2 LYS A 1 25.835 9.462 -11.570 1.00 0.00 H new ATOM 0 HD3 LYS A 1 24.502 10.523 -11.159 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.111 12.453 -10.964 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.431 11.387 -11.404 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 26.591 12.584 -13.333 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 26.313 10.919 -13.516 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 25.034 11.951 -13.090 1.00 0.00 H new ATOM 25 N LYS A 2 24.321 6.623 -7.306 1.00 0.00 N ATOM 26 CA LYS A 2 23.387 5.613 -6.817 1.00 0.00 C ATOM 27 C LYS A 2 24.078 4.256 -6.740 1.00 0.00 C ATOM 28 O LYS A 2 24.997 3.975 -7.509 1.00 0.00 O ATOM 29 CB LYS A 2 22.187 5.528 -7.763 1.00 0.00 C ATOM 30 CG LYS A 2 22.650 5.031 -9.135 1.00 0.00 C ATOM 31 CD LYS A 2 21.571 5.316 -10.182 1.00 0.00 C ATOM 32 CE LYS A 2 20.325 4.480 -9.882 1.00 0.00 C ATOM 33 NZ LYS A 2 19.414 4.510 -11.061 1.00 0.00 N ATOM 0 H LYS A 2 24.987 6.280 -7.998 1.00 0.00 H new ATOM 0 HA LYS A 2 23.046 5.893 -5.820 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.436 4.852 -7.354 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.717 6.507 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.581 5.524 -9.415 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.856 3.961 -9.094 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.318 6.376 -10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 2 21.947 5.081 -11.178 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.609 3.453 -9.654 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.813 4.872 -9.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 18.566 3.942 -10.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 19.134 5.492 -11.259 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 19.905 4.117 -11.889 1.00 0.00 H new ATOM 47 N CYS A 3 23.669 3.432 -5.780 1.00 0.00 N ATOM 48 CA CYS A 3 24.259 2.106 -5.643 1.00 0.00 C ATOM 49 C CYS A 3 23.731 1.171 -6.723 1.00 0.00 C ATOM 50 O CYS A 3 23.293 1.629 -7.779 1.00 0.00 O ATOM 51 CB CYS A 3 23.950 1.508 -4.269 1.00 0.00 C ATOM 52 SG CYS A 3 24.739 2.500 -2.976 1.00 0.00 S ATOM 0 H CYS A 3 22.945 3.654 -5.097 1.00 0.00 H new ATOM 0 HA CYS A 3 25.338 2.214 -5.750 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.872 1.477 -4.110 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.309 0.480 -4.221 1.00 0.00 H new ATOM 57 N TRP A 4 24.118 -0.094 -6.600 1.00 0.00 N ATOM 58 CA TRP A 4 23.945 -1.073 -7.669 1.00 0.00 C ATOM 59 C TRP A 4 23.087 -2.223 -7.151 1.00 0.00 C ATOM 60 O TRP A 4 22.820 -2.310 -5.952 1.00 0.00 O ATOM 61 CB TRP A 4 25.311 -1.587 -8.141 1.00 0.00 C ATOM 62 CG TRP A 4 26.385 -0.604 -7.797 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.784 -0.328 -6.534 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.412 -0.055 -8.673 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.906 0.474 -6.584 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.344 0.658 -7.879 1.00 0.00 C ATOM 67 CE3 TRP A 4 27.571 -0.023 -10.069 1.00 0.00 C ATOM 68 CZ2 TRP A 4 29.412 1.359 -8.447 1.00 0.00 C ATOM 69 CZ3 TRP A 4 28.621 0.705 -10.645 1.00 0.00 C ATOM 70 CH2 TRP A 4 29.526 1.409 -9.841 1.00 0.00 C ATOM 0 H TRP A 4 24.559 -0.469 -5.760 1.00 0.00 H new ATOM 0 HA TRP A 4 23.448 -0.607 -8.520 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.526 -2.548 -7.674 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.292 -1.753 -9.218 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.303 -0.678 -5.633 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.356 0.881 -5.764 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.881 -0.562 -10.701 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 30.138 1.854 -7.820 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 28.733 0.723 -11.719 1.00 0.00 H new ATOM 0 HH2 TRP A 4 30.313 1.991 -10.297 1.00 0.00 H new ATOM 81 N ASN A 5 22.602 -3.061 -8.062 1.00 0.00 N ATOM 82 CA ASN A 5 21.822 -4.233 -7.678 1.00 0.00 C ATOM 83 C ASN A 5 20.830 -3.878 -6.576 1.00 0.00 C ATOM 84 O ASN A 5 20.463 -4.722 -5.759 1.00 0.00 O ATOM 85 CB ASN A 5 22.758 -5.331 -7.168 1.00 0.00 C ATOM 86 CG ASN A 5 23.587 -5.899 -8.315 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.145 -6.816 -9.008 1.00 0.00 O ATOM 88 ND2 ASN A 5 24.784 -5.428 -8.533 1.00 0.00 N ATOM 0 H ASN A 5 22.734 -2.951 -9.067 1.00 0.00 H new ATOM 0 HA ASN A 5 21.275 -4.584 -8.553 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.417 -4.927 -6.400 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.176 -6.127 -6.703 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.358 -5.819 -9.280 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.146 -4.668 -7.956 1.00 0.00 H new ATOM 95 N GLY A 6 20.337 -2.646 -6.616 1.00 0.00 N ATOM 96 CA GLY A 6 19.309 -2.214 -5.679 1.00 0.00 C ATOM 97 C GLY A 6 19.858 -2.068 -4.265 1.00 0.00 C ATOM 98 O GLY A 6 19.170 -1.558 -3.382 1.00 0.00 O ATOM 0 H GLY A 6 20.631 -1.933 -7.283 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.894 -1.261 -6.008 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.491 -2.935 -5.679 1.00 0.00 H new ATOM 102 N GLY A 7 21.150 -2.335 -4.097 1.00 0.00 N ATOM 103 CA GLY A 7 21.774 -2.175 -2.789 1.00 0.00 C ATOM 104 C GLY A 7 21.606 -0.744 -2.288 1.00 0.00 C ATOM 105 O GLY A 7 21.026 0.090 -2.983 1.00 0.00 O ATOM 0 H GLY A 7 21.775 -2.657 -4.836 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.326 -2.870 -2.079 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.834 -2.422 -2.852 1.00 0.00 H new ATOM 109 N ARG A 8 22.187 -0.435 -1.129 1.00 0.00 N ATOM 110 CA ARG A 8 22.114 0.912 -0.568 1.00 0.00 C ATOM 111 C ARG A 8 23.507 1.425 -0.213 1.00 0.00 C ATOM 112 O ARG A 8 24.469 0.659 -0.248 1.00 0.00 O ATOM 113 CB ARG A 8 21.215 0.918 0.673 1.00 0.00 C ATOM 114 CG ARG A 8 21.715 -0.098 1.705 1.00 0.00 C ATOM 115 CD ARG A 8 21.026 0.135 3.053 1.00 0.00 C ATOM 116 NE ARG A 8 19.634 -0.297 3.015 1.00 0.00 N ATOM 117 CZ ARG A 8 18.812 -0.041 4.029 1.00 0.00 C ATOM 118 NH1 ARG A 8 19.051 0.971 4.818 1.00 0.00 N ATOM 119 NH2 ARG A 8 17.709 -0.725 4.167 1.00 0.00 N ATOM 0 H ARG A 8 22.713 -1.099 -0.561 1.00 0.00 H new ATOM 0 HA ARG A 8 21.685 1.576 -1.319 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.200 1.915 1.113 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.190 0.681 0.388 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.514 -1.111 1.356 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.795 -0.009 1.820 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.557 -0.408 3.835 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.074 1.193 3.311 1.00 0.00 H new ATOM 0 HE ARG A 8 19.286 -0.802 2.200 1.00 0.00 H new ATOM 0 HH11 ARG A 8 19.866 1.563 4.656 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.423 1.170 5.596 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.476 -1.458 3.497 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.080 -0.527 4.945 1.00 0.00 H new ATOM 133 N CYS A 9 23.586 2.650 0.304 1.00 0.00 N ATOM 134 CA CYS A 9 24.839 3.171 0.848 1.00 0.00 C ATOM 135 C CYS A 9 24.742 3.198 2.373 1.00 0.00 C ATOM 136 O CYS A 9 23.971 3.975 2.935 1.00 0.00 O ATOM 137 CB CYS A 9 25.131 4.578 0.304 1.00 0.00 C ATOM 138 SG CYS A 9 26.166 4.496 -1.183 1.00 0.00 S ATOM 0 H CYS A 9 22.800 3.298 0.358 1.00 0.00 H new ATOM 0 HA CYS A 9 25.660 2.522 0.543 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.194 5.084 0.072 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.633 5.171 1.069 1.00 0.00 H new ATOM 143 N ARG A 10 25.717 2.561 3.016 1.00 0.00 N ATOM 144 CA ARG A 10 25.870 2.632 4.465 1.00 0.00 C ATOM 145 C ARG A 10 27.278 2.195 4.862 1.00 0.00 C ATOM 146 O ARG A 10 27.842 1.279 4.263 1.00 0.00 O ATOM 147 CB ARG A 10 24.841 1.743 5.170 1.00 0.00 C ATOM 148 CG ARG A 10 23.436 2.341 5.056 1.00 0.00 C ATOM 149 CD ARG A 10 22.516 1.677 6.084 1.00 0.00 C ATOM 150 NE ARG A 10 21.166 2.220 5.991 1.00 0.00 N ATOM 151 CZ ARG A 10 20.285 2.045 6.971 1.00 0.00 C ATOM 152 NH1 ARG A 10 19.542 3.043 7.365 1.00 0.00 N ATOM 153 NH2 ARG A 10 20.127 0.864 7.505 1.00 0.00 N ATOM 0 H ARG A 10 26.418 1.985 2.551 1.00 0.00 H new ATOM 0 HA ARG A 10 25.706 3.665 4.773 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.853 0.746 4.730 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.109 1.631 6.221 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.472 3.417 5.225 1.00 0.00 H new ATOM 0 HG3 ARG A 10 23.045 2.189 4.050 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.493 0.600 5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.909 1.836 7.088 1.00 0.00 H new ATOM 0 HE ARG A 10 20.893 2.743 5.159 1.00 0.00 H new ATOM 0 HH11 ARG A 10 19.638 3.956 6.921 1.00 0.00 H new ATOM 0 HH12 ARG A 10 18.866 2.910 8.117 1.00 0.00 H new ATOM 0 HH21 ARG A 10 20.680 0.075 7.170 1.00 0.00 H new ATOM 0 HH22 ARG A 10 19.451 0.731 8.257 1.00 0.00 H new ATOM 167 N LYS A 11 27.814 2.799 5.918 1.00 0.00 N ATOM 168 CA LYS A 11 29.110 2.400 6.456 1.00 0.00 C ATOM 169 C LYS A 11 29.122 0.912 6.788 1.00 0.00 C ATOM 170 O LYS A 11 30.186 0.305 6.910 1.00 0.00 O ATOM 171 CB LYS A 11 29.418 3.216 7.712 1.00 0.00 C ATOM 172 CG LYS A 11 28.263 3.073 8.707 1.00 0.00 C ATOM 173 CD LYS A 11 28.461 4.058 9.862 1.00 0.00 C ATOM 174 CE LYS A 11 27.279 3.961 10.829 1.00 0.00 C ATOM 175 NZ LYS A 11 27.241 5.178 11.688 1.00 0.00 N ATOM 0 H LYS A 11 27.370 3.568 6.419 1.00 0.00 H new ATOM 0 HA LYS A 11 29.874 2.590 5.702 1.00 0.00 H new ATOM 0 HB2 LYS A 11 30.347 2.871 8.165 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.561 4.265 7.452 1.00 0.00 H new ATOM 0 HG2 LYS A 11 27.313 3.266 8.209 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.221 2.053 9.088 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.391 3.837 10.386 1.00 0.00 H new ATOM 0 HD3 LYS A 11 28.546 5.074 9.476 1.00 0.00 H new ATOM 0 HE2 LYS A 11 26.347 3.866 10.273 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.373 3.069 11.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 26.438 5.114 12.346 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.127 5.249 12.229 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 27.132 6.022 11.090 1.00 0.00 H new ATOM 189 N LYS A 12 27.950 0.299 6.658 1.00 0.00 N ATOM 190 CA LYS A 12 27.800 -1.144 6.805 1.00 0.00 C ATOM 191 C LYS A 12 26.842 -1.648 5.730 1.00 0.00 C ATOM 192 O LYS A 12 26.452 -0.887 4.846 1.00 0.00 O ATOM 193 CB LYS A 12 27.262 -1.454 8.208 1.00 0.00 C ATOM 194 CG LYS A 12 28.360 -2.039 9.101 1.00 0.00 C ATOM 195 CD LYS A 12 27.879 -2.124 10.554 1.00 0.00 C ATOM 196 CE LYS A 12 28.154 -0.807 11.285 1.00 0.00 C ATOM 197 NZ LYS A 12 27.284 -0.714 12.490 1.00 0.00 N ATOM 0 H LYS A 12 27.079 0.787 6.448 1.00 0.00 H new ATOM 0 HA LYS A 12 28.760 -1.645 6.685 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.868 -0.543 8.659 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.433 -2.158 8.136 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.637 -3.031 8.745 1.00 0.00 H new ATOM 0 HG3 LYS A 12 29.254 -1.418 9.043 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.812 -2.345 10.578 1.00 0.00 H new ATOM 0 HD3 LYS A 12 28.386 -2.943 11.064 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.203 -0.753 11.576 1.00 0.00 H new ATOM 0 HE3 LYS A 12 27.964 0.036 10.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 27.472 0.181 12.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.286 -0.747 12.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.486 -1.511 13.127 1.00 0.00 H new ATOM 211 N CYS A 13 26.711 -2.966 5.639 1.00 0.00 N ATOM 212 CA CYS A 13 25.868 -3.577 4.619 1.00 0.00 C ATOM 213 C CYS A 13 24.600 -4.146 5.241 1.00 0.00 C ATOM 214 O CYS A 13 24.646 -4.921 6.196 1.00 0.00 O ATOM 215 CB CYS A 13 26.672 -4.675 3.922 1.00 0.00 C ATOM 216 SG CYS A 13 28.215 -3.936 3.338 1.00 0.00 S ATOM 0 H CYS A 13 27.176 -3.630 6.257 1.00 0.00 H new ATOM 0 HA CYS A 13 25.565 -2.826 3.890 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.877 -5.495 4.610 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.108 -5.092 3.088 1.00 0.00 H new ATOM 221 N LYS A 14 23.469 -3.698 4.704 1.00 0.00 N ATOM 222 CA LYS A 14 22.169 -4.122 5.204 1.00 0.00 C ATOM 223 C LYS A 14 22.168 -5.630 5.440 1.00 0.00 C ATOM 224 O LYS A 14 23.116 -6.328 5.083 1.00 0.00 O ATOM 225 CB LYS A 14 21.084 -3.687 4.211 1.00 0.00 C ATOM 226 CG LYS A 14 19.808 -4.516 4.376 1.00 0.00 C ATOM 227 CD LYS A 14 18.696 -3.935 3.500 1.00 0.00 C ATOM 228 CE LYS A 14 17.588 -4.973 3.314 1.00 0.00 C ATOM 229 NZ LYS A 14 17.347 -5.695 4.596 1.00 0.00 N ATOM 0 H LYS A 14 23.428 -3.042 3.924 1.00 0.00 H new ATOM 0 HA LYS A 14 21.957 -3.648 6.163 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.855 -2.632 4.360 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.458 -3.792 3.193 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.998 -5.553 4.098 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.497 -4.518 5.421 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.290 -3.035 3.961 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.099 -3.642 2.531 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.671 -4.484 2.984 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.869 -5.682 2.535 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.370 -6.051 4.616 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.008 -6.494 4.674 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.495 -5.045 5.394 1.00 0.00 H new ATOM 243 N GLU A 15 21.138 -6.107 6.129 1.00 0.00 N ATOM 244 CA GLU A 15 21.019 -7.525 6.446 1.00 0.00 C ATOM 245 C GLU A 15 21.557 -8.404 5.321 1.00 0.00 C ATOM 246 O GLU A 15 21.020 -8.412 4.212 1.00 0.00 O ATOM 247 CB GLU A 15 19.545 -7.857 6.689 1.00 0.00 C ATOM 248 CG GLU A 15 19.065 -7.123 7.942 1.00 0.00 C ATOM 249 CD GLU A 15 17.571 -7.353 8.137 1.00 0.00 C ATOM 250 OE1 GLU A 15 16.859 -7.351 7.146 1.00 0.00 O ATOM 251 OE2 GLU A 15 17.153 -7.464 9.277 1.00 0.00 O ATOM 0 H GLU A 15 20.372 -5.532 6.479 1.00 0.00 H new ATOM 0 HA GLU A 15 21.612 -7.726 7.338 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.946 -7.561 5.828 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.417 -8.933 6.812 1.00 0.00 H new ATOM 0 HG2 GLU A 15 19.613 -7.478 8.815 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.269 -6.056 7.850 1.00 0.00 H new ATOM 258 N ASN A 16 22.684 -9.055 5.588 1.00 0.00 N ATOM 259 CA ASN A 16 23.255 -10.016 4.651 1.00 0.00 C ATOM 260 C ASN A 16 23.574 -9.358 3.313 1.00 0.00 C ATOM 261 O ASN A 16 23.159 -9.851 2.265 1.00 0.00 O ATOM 262 CB ASN A 16 22.271 -11.162 4.406 1.00 0.00 C ATOM 263 CG ASN A 16 21.692 -11.652 5.728 1.00 0.00 C ATOM 264 OD1 ASN A 16 22.419 -11.804 6.709 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.413 -11.892 5.816 1.00 0.00 N ATOM 0 H ASN A 16 23.221 -8.934 6.447 1.00 0.00 H new ATOM 0 HA ASN A 16 24.176 -10.397 5.092 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.467 -10.827 3.751 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.777 -11.982 3.896 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.013 -12.207 6.700 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.813 -11.765 5.001 1.00 0.00 H new ATOM 272 N GLU A 17 24.264 -8.222 3.351 1.00 0.00 N ATOM 273 CA GLU A 17 24.610 -7.497 2.131 1.00 0.00 C ATOM 274 C GLU A 17 26.124 -7.382 1.969 1.00 0.00 C ATOM 275 O GLU A 17 26.859 -7.293 2.952 1.00 0.00 O ATOM 276 CB GLU A 17 23.968 -6.105 2.158 1.00 0.00 C ATOM 277 CG GLU A 17 22.447 -6.169 1.957 1.00 0.00 C ATOM 278 CD GLU A 17 21.941 -5.099 0.991 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.745 -5.080 0.748 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.711 -4.224 0.629 1.00 0.00 O ATOM 0 H GLU A 17 24.594 -7.784 4.211 1.00 0.00 H new ATOM 0 HA GLU A 17 24.226 -8.054 1.277 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.188 -5.623 3.111 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.411 -5.486 1.378 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.175 -7.154 1.579 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.951 -6.049 2.920 1.00 0.00 H new ATOM 287 N LYS A 18 26.584 -7.540 0.732 1.00 0.00 N ATOM 288 CA LYS A 18 28.012 -7.524 0.435 1.00 0.00 C ATOM 289 C LYS A 18 28.520 -6.086 0.348 1.00 0.00 C ATOM 290 O LYS A 18 27.956 -5.306 -0.420 1.00 0.00 O ATOM 291 CB LYS A 18 28.263 -8.238 -0.896 1.00 0.00 C ATOM 292 CG LYS A 18 27.427 -9.519 -0.958 1.00 0.00 C ATOM 293 CD LYS A 18 27.712 -10.389 0.269 1.00 0.00 C ATOM 294 CE LYS A 18 27.186 -11.808 0.032 1.00 0.00 C ATOM 295 NZ LYS A 18 27.632 -12.692 1.146 1.00 0.00 N ATOM 0 H LYS A 18 25.987 -7.681 -0.083 1.00 0.00 H new ATOM 0 HA LYS A 18 28.546 -8.038 1.235 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.003 -7.582 -1.727 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.322 -8.477 -0.998 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.367 -9.270 -0.999 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.660 -10.072 -1.868 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.784 -10.417 0.466 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.237 -9.958 1.150 1.00 0.00 H new ATOM 0 HE2 LYS A 18 26.098 -11.799 -0.027 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.554 -12.190 -0.920 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 27.276 -13.656 0.988 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.671 -12.708 1.182 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 27.260 -12.329 2.047 1.00 0.00 H new ATOM 309 N PRO A 19 29.565 -5.703 1.038 1.00 0.00 N ATOM 310 CA PRO A 19 30.166 -4.352 0.845 1.00 0.00 C ATOM 311 C PRO A 19 30.678 -4.147 -0.575 1.00 0.00 C ATOM 312 O PRO A 19 31.674 -4.763 -0.953 1.00 0.00 O ATOM 313 CB PRO A 19 31.303 -4.265 1.873 1.00 0.00 C ATOM 314 CG PRO A 19 31.124 -5.417 2.810 1.00 0.00 C ATOM 315 CD PRO A 19 30.274 -6.463 2.085 1.00 0.00 C ATOM 0 HA PRO A 19 29.425 -3.566 0.991 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.274 -4.314 1.381 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.266 -3.318 2.412 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.090 -5.836 3.094 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.635 -5.093 3.729 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.894 -7.249 1.654 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.574 -6.947 2.766 1.00 0.00 H new ATOM 323 N ILE A 20 30.259 -3.041 -1.187 1.00 0.00 N ATOM 324 CA ILE A 20 30.896 -2.597 -2.424 1.00 0.00 C ATOM 325 C ILE A 20 30.920 -1.078 -2.553 1.00 0.00 C ATOM 326 O ILE A 20 30.329 -0.351 -1.753 1.00 0.00 O ATOM 327 CB ILE A 20 30.276 -3.275 -3.658 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.209 -2.461 -4.415 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.637 -4.607 -3.254 1.00 0.00 C ATOM 330 CD1 ILE A 20 29.309 -2.759 -5.914 1.00 0.00 C ATOM 0 H ILE A 20 29.498 -2.448 -0.856 1.00 0.00 H new ATOM 0 HA ILE A 20 31.937 -2.915 -2.374 1.00 0.00 H new ATOM 0 HB ILE A 20 31.117 -3.393 -4.342 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.214 -2.715 -4.048 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.353 -1.396 -4.235 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.200 -5.082 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.398 -5.261 -2.829 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.858 -4.427 -2.513 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.555 -2.184 -6.450 1.00 0.00 H new ATOM 0 HD12 ILE A 20 30.300 -2.483 -6.274 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.144 -3.823 -6.085 1.00 0.00 H new ATOM 342 N GLY A 21 31.416 -0.655 -3.712 1.00 0.00 N ATOM 343 CA GLY A 21 31.303 0.731 -4.152 1.00 0.00 C ATOM 344 C GLY A 21 31.644 1.688 -3.018 1.00 0.00 C ATOM 345 O GLY A 21 32.060 1.254 -1.945 1.00 0.00 O ATOM 0 H GLY A 21 31.906 -1.261 -4.370 1.00 0.00 H new ATOM 0 HA2 GLY A 21 31.972 0.905 -4.995 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.290 0.924 -4.504 1.00 0.00 H new ATOM 349 N TYR A 22 31.641 2.984 -3.316 1.00 0.00 N ATOM 350 CA TYR A 22 32.074 3.991 -2.353 1.00 0.00 C ATOM 351 C TYR A 22 31.064 5.133 -2.296 1.00 0.00 C ATOM 352 O TYR A 22 30.252 5.297 -3.206 1.00 0.00 O ATOM 353 CB TYR A 22 33.451 4.527 -2.759 1.00 0.00 C ATOM 354 CG TYR A 22 34.150 5.138 -1.567 1.00 0.00 C ATOM 355 CD1 TYR A 22 35.006 4.352 -0.786 1.00 0.00 C ATOM 356 CD2 TYR A 22 33.853 6.448 -1.172 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.641 4.905 0.332 1.00 0.00 C ATOM 358 CE2 TYR A 22 34.474 6.997 -0.044 1.00 0.00 C ATOM 359 CZ TYR A 22 35.371 6.226 0.707 1.00 0.00 C ATOM 360 OH TYR A 22 35.986 6.769 1.818 1.00 0.00 O ATOM 0 H TYR A 22 31.344 3.361 -4.216 1.00 0.00 H new ATOM 0 HA TYR A 22 32.141 3.536 -1.365 1.00 0.00 H new ATOM 0 HB2 TYR A 22 34.057 3.719 -3.169 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.340 5.273 -3.546 1.00 0.00 H new ATOM 0 HD1 TYR A 22 35.176 3.318 -1.047 1.00 0.00 H new ATOM 0 HD2 TYR A 22 33.145 7.035 -1.738 1.00 0.00 H new ATOM 0 HE1 TYR A 22 36.339 4.313 0.905 1.00 0.00 H new ATOM 0 HE2 TYR A 22 34.262 8.015 0.247 1.00 0.00 H new ATOM 0 HH TYR A 22 35.689 7.695 1.937 1.00 0.00 H new ATOM 370 N CYS A 23 30.960 5.745 -1.121 1.00 0.00 N ATOM 371 CA CYS A 23 29.912 6.719 -0.834 1.00 0.00 C ATOM 372 C CYS A 23 30.467 7.718 0.182 1.00 0.00 C ATOM 373 O CYS A 23 31.663 7.715 0.475 1.00 0.00 O ATOM 374 CB CYS A 23 28.664 5.993 -0.308 1.00 0.00 C ATOM 375 SG CYS A 23 27.189 6.237 -1.331 1.00 0.00 S ATOM 0 H CYS A 23 31.598 5.581 -0.342 1.00 0.00 H new ATOM 0 HA CYS A 23 29.614 7.259 -1.733 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.877 4.926 -0.243 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.454 6.339 0.704 1.00 0.00 H new ATOM 380 N ARG A 24 29.619 8.637 0.632 1.00 0.00 N ATOM 381 CA ARG A 24 30.036 9.734 1.505 1.00 0.00 C ATOM 382 C ARG A 24 30.221 9.260 2.944 1.00 0.00 C ATOM 383 O ARG A 24 30.011 8.079 3.221 1.00 0.00 O ATOM 384 CB ARG A 24 28.974 10.835 1.459 1.00 0.00 C ATOM 385 CG ARG A 24 27.590 10.188 1.356 1.00 0.00 C ATOM 386 CD ARG A 24 26.509 11.220 1.682 1.00 0.00 C ATOM 387 NE ARG A 24 26.570 12.325 0.733 1.00 0.00 N ATOM 388 CZ ARG A 24 25.625 13.258 0.711 1.00 0.00 C ATOM 389 NH1 ARG A 24 25.768 14.351 1.409 1.00 0.00 N ATOM 390 NH2 ARG A 24 24.509 13.034 0.071 1.00 0.00 N ATOM 0 H ARG A 24 28.625 8.645 0.404 1.00 0.00 H new ATOM 0 HA ARG A 24 30.994 10.115 1.152 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.035 11.454 2.354 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.148 11.490 0.606 1.00 0.00 H new ATOM 0 HG2 ARG A 24 27.437 9.793 0.352 1.00 0.00 H new ATOM 0 HG3 ARG A 24 27.520 9.345 2.044 1.00 0.00 H new ATOM 0 HD2 ARG A 24 25.525 10.752 1.645 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.646 11.594 2.697 1.00 0.00 H new ATOM 0 HE ARG A 24 27.349 12.382 0.077 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.607 14.490 1.973 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.041 15.066 1.391 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.366 12.146 -0.409 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.780 13.747 0.051 1.00 0.00 H new ATOM 404 N ASN A 25 30.924 10.074 3.731 1.00 0.00 N ATOM 405 CA ASN A 25 31.102 9.846 5.164 1.00 0.00 C ATOM 406 C ASN A 25 31.182 8.353 5.478 1.00 0.00 C ATOM 407 O ASN A 25 30.665 7.893 6.497 1.00 0.00 O ATOM 408 CB ASN A 25 29.967 10.524 5.947 1.00 0.00 C ATOM 409 CG ASN A 25 30.382 11.900 6.461 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.955 12.698 5.719 1.00 0.00 O ATOM 411 ND2 ASN A 25 30.197 12.197 7.719 1.00 0.00 N ATOM 0 H ASN A 25 31.389 10.915 3.390 1.00 0.00 H new ATOM 0 HA ASN A 25 32.048 10.291 5.474 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.091 10.624 5.306 1.00 0.00 H new ATOM 0 HB3 ASN A 25 29.677 9.893 6.787 1.00 0.00 H new ATOM 0 HD21 ASN A 25 30.527 13.090 8.086 1.00 0.00 H new ATOM 0 HD22 ASN A 25 29.722 11.536 8.334 1.00 0.00 H new ATOM 418 N GLY A 26 32.110 7.680 4.807 1.00 0.00 N ATOM 419 CA GLY A 26 32.414 6.292 5.136 1.00 0.00 C ATOM 420 C GLY A 26 31.442 5.343 4.444 1.00 0.00 C ATOM 421 O GLY A 26 31.699 4.144 4.345 1.00 0.00 O ATOM 0 H GLY A 26 32.660 8.067 4.040 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.435 6.058 4.834 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.361 6.150 6.215 1.00 0.00 H new ATOM 425 N LYS A 27 30.263 5.855 4.109 1.00 0.00 N ATOM 426 CA LYS A 27 29.206 5.002 3.582 1.00 0.00 C ATOM 427 C LYS A 27 29.570 4.521 2.180 1.00 0.00 C ATOM 428 O LYS A 27 30.355 5.185 1.503 1.00 0.00 O ATOM 429 CB LYS A 27 27.878 5.764 3.601 1.00 0.00 C ATOM 430 CG LYS A 27 27.798 6.621 4.869 1.00 0.00 C ATOM 431 CD LYS A 27 26.341 6.824 5.287 1.00 0.00 C ATOM 432 CE LYS A 27 26.321 7.619 6.594 1.00 0.00 C ATOM 433 NZ LYS A 27 24.931 7.672 7.122 1.00 0.00 N ATOM 0 H LYS A 27 30.018 6.842 4.191 1.00 0.00 H new ATOM 0 HA LYS A 27 29.095 4.117 4.209 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.796 6.396 2.717 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.044 5.063 3.570 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.350 6.139 5.676 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.270 7.588 4.692 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.794 7.358 4.510 1.00 0.00 H new ATOM 0 HD3 LYS A 27 25.847 5.862 5.421 1.00 0.00 H new ATOM 0 HE2 LYS A 27 26.982 7.153 7.325 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.695 8.628 6.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 24.917 8.212 8.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.313 8.135 6.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.590 6.706 7.299 1.00 0.00 H new ATOM 447 N LYS A 28 29.419 3.214 1.988 1.00 0.00 N ATOM 448 CA LYS A 28 29.794 2.551 0.742 1.00 0.00 C ATOM 449 C LYS A 28 28.534 1.969 0.113 1.00 0.00 C ATOM 450 O LYS A 28 27.666 1.536 0.870 1.00 0.00 O ATOM 451 CB LYS A 28 30.793 1.434 1.046 1.00 0.00 C ATOM 452 CG LYS A 28 32.019 2.065 1.706 1.00 0.00 C ATOM 453 CD LYS A 28 33.075 0.995 1.996 1.00 0.00 C ATOM 454 CE LYS A 28 34.055 1.508 3.054 1.00 0.00 C ATOM 455 NZ LYS A 28 34.452 2.909 2.741 1.00 0.00 N ATOM 0 H LYS A 28 29.033 2.584 2.691 1.00 0.00 H new ATOM 0 HA LYS A 28 30.257 3.259 0.055 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.345 0.691 1.706 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.077 0.917 0.130 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.438 2.832 1.054 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.728 2.559 2.633 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.594 0.081 2.345 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.612 0.743 1.081 1.00 0.00 H new ATOM 0 HE2 LYS A 28 33.594 1.463 4.041 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.938 0.869 3.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.349 3.131 3.219 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.572 3.014 1.713 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 33.713 3.561 3.072 1.00 0.00 H new ATOM 469 N CYS A 29 28.613 1.518 -1.137 1.00 0.00 N ATOM 470 CA CYS A 29 27.464 0.812 -1.694 1.00 0.00 C ATOM 471 C CYS A 29 27.651 -0.668 -1.413 1.00 0.00 C ATOM 472 O CYS A 29 28.265 -1.398 -2.188 1.00 0.00 O ATOM 473 CB CYS A 29 27.315 0.992 -3.205 1.00 0.00 C ATOM 474 SG CYS A 29 26.675 2.652 -3.535 1.00 0.00 S ATOM 0 H CYS A 29 29.417 1.621 -1.756 1.00 0.00 H new ATOM 0 HA CYS A 29 26.568 1.223 -1.230 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.277 0.854 -3.698 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.638 0.239 -3.610 1.00 0.00 H new ATOM 479 N CYS A 30 26.829 -1.129 -0.481 1.00 0.00 N ATOM 480 CA CYS A 30 26.733 -2.555 -0.224 1.00 0.00 C ATOM 481 C CYS A 30 25.704 -3.160 -1.169 1.00 0.00 C ATOM 482 O CYS A 30 24.499 -3.004 -0.969 1.00 0.00 O ATOM 483 CB CYS A 30 26.302 -2.772 1.226 1.00 0.00 C ATOM 484 SG CYS A 30 27.618 -2.265 2.366 1.00 0.00 S ATOM 0 H CYS A 30 26.228 -0.545 0.101 1.00 0.00 H new ATOM 0 HA CYS A 30 27.698 -3.034 -0.388 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.396 -2.201 1.431 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.060 -3.823 1.386 1.00 0.00 H new ATOM 489 N VAL A 31 26.172 -4.013 -2.074 1.00 0.00 N ATOM 490 CA VAL A 31 25.263 -4.696 -2.985 1.00 0.00 C ATOM 491 C VAL A 31 24.777 -5.976 -2.320 1.00 0.00 C ATOM 492 O VAL A 31 25.521 -6.949 -2.194 1.00 0.00 O ATOM 493 CB VAL A 31 25.981 -4.990 -4.306 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.333 -6.156 -5.067 1.00 0.00 C ATOM 495 CG2 VAL A 31 25.997 -3.720 -5.167 1.00 0.00 C ATOM 0 H VAL A 31 27.158 -4.245 -2.195 1.00 0.00 H new ATOM 0 HA VAL A 31 24.401 -4.067 -3.208 1.00 0.00 H new ATOM 0 HB VAL A 31 27.004 -5.292 -4.080 1.00 0.00 H new ATOM 0 HG11 VAL A 31 25.874 -6.329 -5.997 1.00 0.00 H new ATOM 0 HG12 VAL A 31 25.369 -7.056 -4.453 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.295 -5.912 -5.292 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.507 -3.925 -6.108 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.973 -3.405 -5.370 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.522 -2.926 -4.635 1.00 0.00 H new ATOM 505 N ASN A 32 23.457 -6.040 -2.205 1.00 0.00 N ATOM 506 CA ASN A 32 22.809 -7.149 -1.524 1.00 0.00 C ATOM 507 C ASN A 32 23.218 -8.472 -2.162 1.00 0.00 C ATOM 508 O ASN A 32 22.817 -8.696 -3.291 1.00 0.00 O ATOM 509 CB ASN A 32 21.292 -6.967 -1.596 1.00 0.00 C ATOM 510 CG ASN A 32 20.612 -7.808 -0.522 1.00 0.00 C ATOM 511 OD1 ASN A 32 20.956 -8.976 -0.344 1.00 0.00 O ATOM 512 ND2 ASN A 32 19.764 -7.243 0.292 1.00 0.00 N ATOM 513 OXT ASN A 32 24.122 -9.096 -1.630 1.00 0.00 O ATOM 0 H ASN A 32 22.816 -5.337 -2.574 1.00 0.00 H new ATOM 0 HA ASN A 32 23.120 -7.165 -0.479 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.037 -5.916 -1.461 1.00 0.00 H new ATOM 0 HB3 ASN A 32 20.929 -7.259 -2.581 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.384 -7.769 1.079 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.481 -6.275 0.142 1.00 0.00 H new TER 520 ASN A 32