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+ 160:sc= -0.0324 (180deg=-0.683) 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 :FLIP amide:sc= 0 F(o=-1.4,f=0) USER MOD Single : A 11 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 12 LYS NZ :NH3+ -130:sc= -0.295 (180deg=-1.37) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.667 K(o=-0.67,f=-4.8!) USER MOD Single : A 18 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.448) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.0822 K(o=-0.082,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= -3.22 K(o=-3.2,f=-4.2) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 21.876 7.521 -2.106 1.00 0.00 N ATOM 2 CA LYS A 1 20.890 6.957 -3.070 1.00 0.00 C ATOM 3 C LYS A 1 21.606 6.540 -4.350 1.00 0.00 C ATOM 4 O LYS A 1 21.066 6.678 -5.447 1.00 0.00 O ATOM 5 CB LYS A 1 19.826 8.010 -3.388 1.00 0.00 C ATOM 6 CG LYS A 1 20.505 9.327 -3.773 1.00 0.00 C ATOM 7 CD LYS A 1 19.492 10.305 -4.382 1.00 0.00 C ATOM 8 CE LYS A 1 19.365 10.073 -5.890 1.00 0.00 C ATOM 9 NZ LYS A 1 18.192 10.831 -6.412 1.00 0.00 N ATOM 0 H1 LYS A 1 21.379 8.101 -1.401 1.00 0.00 H new ATOM 0 H2 LYS A 1 22.375 6.745 -1.626 1.00 0.00 H new ATOM 0 H3 LYS A 1 22.563 8.111 -2.617 1.00 0.00 H new ATOM 0 HA LYS A 1 20.410 6.083 -2.629 1.00 0.00 H new ATOM 0 HB2 LYS A 1 19.191 7.665 -4.204 1.00 0.00 H new ATOM 0 HB3 LYS A 1 19.180 8.162 -2.523 1.00 0.00 H new ATOM 0 HG2 LYS A 1 20.965 9.775 -2.892 1.00 0.00 H new ATOM 0 HG3 LYS A 1 21.305 9.133 -4.487 1.00 0.00 H new ATOM 0 HD2 LYS A 1 18.521 10.176 -3.905 1.00 0.00 H new ATOM 0 HD3 LYS A 1 19.807 11.331 -4.191 1.00 0.00 H new ATOM 0 HE2 LYS A 1 20.275 10.396 -6.396 1.00 0.00 H new ATOM 0 HE3 LYS A 1 19.245 9.009 -6.096 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 18.105 10.674 -7.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 17.327 10.503 -5.937 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 18.324 11.846 -6.227 1.00 0.00 H new ATOM 25 N LYS A 2 22.830 6.040 -4.209 1.00 0.00 N ATOM 26 CA LYS A 2 23.633 5.622 -5.354 1.00 0.00 C ATOM 27 C LYS A 2 24.338 4.305 -5.053 1.00 0.00 C ATOM 28 O LYS A 2 25.381 4.334 -4.401 1.00 0.00 O ATOM 29 CB LYS A 2 24.687 6.692 -5.657 1.00 0.00 C ATOM 30 CG LYS A 2 24.044 7.916 -6.317 1.00 0.00 C ATOM 31 CD LYS A 2 23.962 7.726 -7.834 1.00 0.00 C ATOM 32 CE LYS A 2 23.058 8.806 -8.433 1.00 0.00 C ATOM 33 NZ LYS A 2 23.243 8.841 -9.911 1.00 0.00 N ATOM 0 H LYS A 2 23.290 5.914 -3.307 1.00 0.00 H new ATOM 0 HA LYS A 2 22.975 5.490 -6.213 1.00 0.00 H new ATOM 0 HB2 LYS A 2 25.185 6.990 -4.734 1.00 0.00 H new ATOM 0 HB3 LYS A 2 25.453 6.279 -6.314 1.00 0.00 H new ATOM 0 HG2 LYS A 2 23.045 8.073 -5.910 1.00 0.00 H new ATOM 0 HG3 LYS A 2 24.626 8.808 -6.087 1.00 0.00 H new ATOM 0 HD2 LYS A 2 24.958 7.785 -8.273 1.00 0.00 H new ATOM 0 HD3 LYS A 2 23.569 6.736 -8.067 1.00 0.00 H new ATOM 0 HE2 LYS A 2 22.016 8.599 -8.191 1.00 0.00 H new ATOM 0 HE3 LYS A 2 23.299 9.778 -8.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.630 9.574 -10.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 24.236 9.058 -10.132 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.993 7.916 -10.314 1.00 0.00 H new ATOM 47 N CYS A 3 24.013 3.292 -5.852 1.00 0.00 N ATOM 48 CA CYS A 3 24.658 1.986 -5.757 1.00 0.00 C ATOM 49 C CYS A 3 24.197 1.073 -6.889 1.00 0.00 C ATOM 50 O CYS A 3 23.771 1.559 -7.937 1.00 0.00 O ATOM 51 CB CYS A 3 24.341 1.316 -4.416 1.00 0.00 C ATOM 52 SG CYS A 3 25.225 2.136 -3.065 1.00 0.00 S ATOM 0 H CYS A 3 23.300 3.352 -6.579 1.00 0.00 H new ATOM 0 HA CYS A 3 25.734 2.145 -5.834 1.00 0.00 H new ATOM 0 HB2 CYS A 3 23.268 1.353 -4.230 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.621 0.263 -4.455 1.00 0.00 H new ATOM 57 N TRP A 4 24.632 -0.183 -6.817 1.00 0.00 N ATOM 58 CA TRP A 4 24.462 -1.136 -7.910 1.00 0.00 C ATOM 59 C TRP A 4 23.622 -2.319 -7.432 1.00 0.00 C ATOM 60 O TRP A 4 23.255 -2.386 -6.259 1.00 0.00 O ATOM 61 CB TRP A 4 25.833 -1.625 -8.395 1.00 0.00 C ATOM 62 CG TRP A 4 26.875 -0.592 -8.112 1.00 0.00 C ATOM 63 CD1 TRP A 4 27.411 -0.356 -6.893 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.631 0.226 -9.055 1.00 0.00 C ATOM 65 NE1 TRP A 4 28.372 0.628 -7.009 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.554 1.014 -8.322 1.00 0.00 C ATOM 67 CE3 TRP A 4 27.563 0.407 -10.445 1.00 0.00 C ATOM 68 CZ2 TRP A 4 29.388 1.941 -8.954 1.00 0.00 C ATOM 69 CZ3 TRP A 4 28.400 1.331 -11.083 1.00 0.00 C ATOM 70 CH2 TRP A 4 29.310 2.095 -10.344 1.00 0.00 C ATOM 0 H TRP A 4 25.110 -0.567 -6.002 1.00 0.00 H new ATOM 0 HA TRP A 4 23.950 -0.646 -8.739 1.00 0.00 H new ATOM 0 HB2 TRP A 4 26.092 -2.560 -7.897 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.796 -1.833 -9.464 1.00 0.00 H new ATOM 0 HD1 TRP A 4 27.132 -0.856 -5.977 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.885 1.022 -6.221 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.860 -0.171 -11.027 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 30.084 2.532 -8.377 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 28.343 1.455 -12.154 1.00 0.00 H new ATOM 0 HH2 TRP A 4 29.952 2.804 -10.846 1.00 0.00 H new ATOM 81 N ASN A 5 23.273 -3.216 -8.349 1.00 0.00 N ATOM 82 CA ASN A 5 22.525 -4.422 -8.003 1.00 0.00 C ATOM 83 C ASN A 5 21.441 -4.120 -6.974 1.00 0.00 C ATOM 84 O ASN A 5 21.181 -4.919 -6.075 1.00 0.00 O ATOM 85 CB ASN A 5 23.464 -5.506 -7.469 1.00 0.00 C ATOM 86 CG ASN A 5 24.533 -5.833 -8.503 1.00 0.00 C ATOM 87 OD1 ASN A 5 25.671 -5.194 -8.471 1.00 0.00 O flip ATOM 88 ND2 ASN A 5 24.353 -6.734 -9.322 1.00 0.00 N flip ATOM 0 H ASN A 5 23.497 -3.131 -9.341 1.00 0.00 H new ATOM 0 HA ASN A 5 22.046 -4.786 -8.912 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.933 -5.168 -6.545 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.895 -6.404 -7.228 1.00 0.00 H new ATOM 0 HD21 ASN A 5 23.463 -7.232 -9.345 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.094 -6.983 -9.978 1.00 0.00 H new ATOM 95 N GLY A 6 20.861 -2.929 -7.069 1.00 0.00 N ATOM 96 CA GLY A 6 19.765 -2.551 -6.186 1.00 0.00 C ATOM 97 C GLY A 6 20.243 -2.461 -4.739 1.00 0.00 C ATOM 98 O GLY A 6 19.439 -2.493 -3.808 1.00 0.00 O ATOM 0 H GLY A 6 21.129 -2.213 -7.744 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.354 -1.591 -6.499 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.960 -3.282 -6.263 1.00 0.00 H new ATOM 102 N GLY A 7 21.532 -2.191 -4.572 1.00 0.00 N ATOM 103 CA GLY A 7 22.110 -2.069 -3.238 1.00 0.00 C ATOM 104 C GLY A 7 21.842 -0.678 -2.677 1.00 0.00 C ATOM 105 O GLY A 7 21.324 0.179 -3.394 1.00 0.00 O ATOM 0 H GLY A 7 22.193 -2.053 -5.337 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.684 -2.824 -2.578 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.184 -2.252 -3.280 1.00 0.00 H new ATOM 109 N ARG A 8 22.449 -0.375 -1.532 1.00 0.00 N ATOM 110 CA ARG A 8 22.381 0.970 -0.968 1.00 0.00 C ATOM 111 C ARG A 8 23.764 1.441 -0.525 1.00 0.00 C ATOM 112 O ARG A 8 24.686 0.634 -0.399 1.00 0.00 O ATOM 113 CB ARG A 8 21.414 0.999 0.220 1.00 0.00 C ATOM 114 CG ARG A 8 21.825 -0.030 1.278 1.00 0.00 C ATOM 115 CD ARG A 8 21.131 0.256 2.612 1.00 0.00 C ATOM 116 NE ARG A 8 19.737 -0.169 2.584 1.00 0.00 N ATOM 117 CZ ARG A 8 18.945 0.029 3.633 1.00 0.00 C ATOM 118 NH1 ARG A 8 19.398 0.669 4.676 1.00 0.00 N ATOM 119 NH2 ARG A 8 17.715 -0.408 3.620 1.00 0.00 N ATOM 0 H ARG A 8 22.991 -1.039 -0.979 1.00 0.00 H new ATOM 0 HA ARG A 8 22.015 1.646 -1.741 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.401 1.996 0.661 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.401 0.790 -0.124 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.567 -1.032 0.936 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.906 -0.007 1.413 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.655 -0.261 3.416 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.184 1.322 2.831 1.00 0.00 H new ATOM 0 HE ARG A 8 19.365 -0.623 1.750 1.00 0.00 H new ATOM 0 HH11 ARG A 8 20.357 1.016 4.685 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.793 0.823 5.483 1.00 0.00 H new ATOM 0 HH21 ARG A 8 17.358 -0.903 2.803 1.00 0.00 H new ATOM 0 HH22 ARG A 8 17.111 -0.254 4.427 1.00 0.00 H new ATOM 133 N CYS A 9 23.859 2.707 -0.126 1.00 0.00 N ATOM 134 CA CYS A 9 25.087 3.235 0.463 1.00 0.00 C ATOM 135 C CYS A 9 24.875 3.424 1.964 1.00 0.00 C ATOM 136 O CYS A 9 24.099 4.287 2.374 1.00 0.00 O ATOM 137 CB CYS A 9 25.440 4.575 -0.200 1.00 0.00 C ATOM 138 SG CYS A 9 26.681 4.342 -1.501 1.00 0.00 S ATOM 0 H CYS A 9 23.101 3.386 -0.200 1.00 0.00 H new ATOM 0 HA CYS A 9 25.910 2.539 0.301 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.542 5.024 -0.624 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.819 5.269 0.551 1.00 0.00 H new ATOM 143 N ARG A 10 25.760 2.826 2.757 1.00 0.00 N ATOM 144 CA ARG A 10 25.772 3.048 4.198 1.00 0.00 C ATOM 145 C ARG A 10 27.116 2.617 4.779 1.00 0.00 C ATOM 146 O ARG A 10 27.845 1.846 4.155 1.00 0.00 O ATOM 147 CB ARG A 10 24.648 2.267 4.885 1.00 0.00 C ATOM 148 CG ARG A 10 23.283 2.858 4.521 1.00 0.00 C ATOM 149 CD ARG A 10 22.215 2.343 5.488 1.00 0.00 C ATOM 150 NE ARG A 10 20.916 2.905 5.138 1.00 0.00 N ATOM 151 CZ ARG A 10 19.916 2.936 6.013 1.00 0.00 C ATOM 152 NH1 ARG A 10 20.157 2.769 7.284 1.00 0.00 N ATOM 153 NH2 ARG A 10 18.710 3.237 5.615 1.00 0.00 N ATOM 0 H ARG A 10 26.479 2.183 2.424 1.00 0.00 H new ATOM 0 HA ARG A 10 25.616 4.112 4.377 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.689 1.220 4.585 1.00 0.00 H new ATOM 0 HB3 ARG A 10 24.786 2.295 5.966 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.327 3.946 4.560 1.00 0.00 H new ATOM 0 HG3 ARG A 10 23.021 2.586 3.498 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.172 1.255 5.450 1.00 0.00 H new ATOM 0 HD3 ARG A 10 22.476 2.616 6.510 1.00 0.00 H new ATOM 0 HE ARG A 10 20.772 3.283 4.202 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.112 2.615 7.606 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.390 2.793 7.956 1.00 0.00 H new ATOM 0 HH21 ARG A 10 18.535 3.448 4.633 1.00 0.00 H new ATOM 0 HH22 ARG A 10 17.942 3.261 6.286 1.00 0.00 H new ATOM 167 N LYS A 11 27.406 3.047 6.003 1.00 0.00 N ATOM 168 CA LYS A 11 28.618 2.611 6.690 1.00 0.00 C ATOM 169 C LYS A 11 28.571 1.109 6.950 1.00 0.00 C ATOM 170 O LYS A 11 29.592 0.478 7.222 1.00 0.00 O ATOM 171 CB LYS A 11 28.757 3.346 8.025 1.00 0.00 C ATOM 172 CG LYS A 11 29.099 4.816 7.768 1.00 0.00 C ATOM 173 CD LYS A 11 29.263 5.567 9.093 1.00 0.00 C ATOM 174 CE LYS A 11 27.895 5.934 9.676 1.00 0.00 C ATOM 175 NZ LYS A 11 28.081 6.825 10.855 1.00 0.00 N ATOM 0 H LYS A 11 26.824 3.692 6.537 1.00 0.00 H new ATOM 0 HA LYS A 11 29.473 2.840 6.054 1.00 0.00 H new ATOM 0 HB2 LYS A 11 27.829 3.272 8.591 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.536 2.881 8.628 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.019 4.886 7.187 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.311 5.281 7.175 1.00 0.00 H new ATOM 0 HD2 LYS A 11 29.813 4.949 9.802 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.852 6.471 8.935 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.288 6.434 8.921 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.359 5.032 9.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.152 7.075 11.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.645 6.332 11.577 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.576 7.691 10.561 1.00 0.00 H new ATOM 189 N LYS A 12 27.375 0.544 6.817 1.00 0.00 N ATOM 190 CA LYS A 12 27.161 -0.892 6.967 1.00 0.00 C ATOM 191 C LYS A 12 26.393 -1.420 5.759 1.00 0.00 C ATOM 192 O LYS A 12 26.016 -0.651 4.876 1.00 0.00 O ATOM 193 CB LYS A 12 26.374 -1.176 8.248 1.00 0.00 C ATOM 194 CG LYS A 12 24.986 -0.535 8.168 1.00 0.00 C ATOM 195 CD LYS A 12 24.227 -0.798 9.472 1.00 0.00 C ATOM 196 CE LYS A 12 23.961 -2.296 9.656 1.00 0.00 C ATOM 197 NZ LYS A 12 25.019 -2.878 10.528 1.00 0.00 N ATOM 0 H LYS A 12 26.527 1.068 6.602 1.00 0.00 H new ATOM 0 HA LYS A 12 28.127 -1.393 7.031 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.278 -2.252 8.394 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.914 -0.785 9.110 1.00 0.00 H new ATOM 0 HG2 LYS A 12 25.078 0.538 7.998 1.00 0.00 H new ATOM 0 HG3 LYS A 12 24.432 -0.945 7.323 1.00 0.00 H new ATOM 0 HD2 LYS A 12 24.804 -0.420 10.316 1.00 0.00 H new ATOM 0 HD3 LYS A 12 23.282 -0.255 9.464 1.00 0.00 H new ATOM 0 HE2 LYS A 12 22.979 -2.451 10.103 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.954 -2.798 8.688 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 25.412 -3.729 10.077 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 25.777 -2.179 10.668 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 24.608 -3.133 11.449 1.00 0.00 H new ATOM 211 N CYS A 13 26.240 -2.738 5.675 1.00 0.00 N ATOM 212 CA CYS A 13 25.501 -3.348 4.575 1.00 0.00 C ATOM 213 C CYS A 13 24.149 -3.862 5.050 1.00 0.00 C ATOM 214 O CYS A 13 24.054 -4.578 6.047 1.00 0.00 O ATOM 215 CB CYS A 13 26.335 -4.494 3.997 1.00 0.00 C ATOM 216 SG CYS A 13 27.960 -3.847 3.528 1.00 0.00 S ATOM 0 H CYS A 13 26.616 -3.402 6.352 1.00 0.00 H new ATOM 0 HA CYS A 13 25.318 -2.600 3.804 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.443 -5.291 4.732 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.835 -4.926 3.130 1.00 0.00 H new ATOM 221 N LYS A 14 23.101 -3.399 4.375 1.00 0.00 N ATOM 222 CA LYS A 14 21.736 -3.767 4.731 1.00 0.00 C ATOM 223 C LYS A 14 21.660 -5.260 5.034 1.00 0.00 C ATOM 224 O LYS A 14 22.622 -5.998 4.829 1.00 0.00 O ATOM 225 CB LYS A 14 20.794 -3.351 3.592 1.00 0.00 C ATOM 226 CG LYS A 14 19.483 -4.144 3.600 1.00 0.00 C ATOM 227 CD LYS A 14 18.544 -3.604 2.516 1.00 0.00 C ATOM 228 CE LYS A 14 17.530 -4.682 2.126 1.00 0.00 C ATOM 229 NZ LYS A 14 16.638 -4.166 1.050 1.00 0.00 N ATOM 0 H LYS A 14 23.172 -2.767 3.577 1.00 0.00 H new ATOM 0 HA LYS A 14 21.423 -3.244 5.635 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.573 -2.287 3.677 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.298 -3.496 2.636 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.685 -5.201 3.426 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.007 -4.068 4.578 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.025 -2.718 2.880 1.00 0.00 H new ATOM 0 HD3 LYS A 14 19.120 -3.300 1.642 1.00 0.00 H new ATOM 0 HE2 LYS A 14 18.050 -5.577 1.783 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.939 -4.970 2.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.950 -4.901 0.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.132 -3.324 1.392 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.208 -3.912 0.218 1.00 0.00 H new ATOM 243 N GLU A 15 20.534 -5.686 5.594 1.00 0.00 N ATOM 244 CA GLU A 15 20.310 -7.093 5.905 1.00 0.00 C ATOM 245 C GLU A 15 20.972 -8.016 4.885 1.00 0.00 C ATOM 246 O GLU A 15 20.600 -8.032 3.711 1.00 0.00 O ATOM 247 CB GLU A 15 18.804 -7.354 5.923 1.00 0.00 C ATOM 248 CG GLU A 15 18.172 -6.541 7.053 1.00 0.00 C ATOM 249 CD GLU A 15 16.652 -6.581 6.935 1.00 0.00 C ATOM 250 OE1 GLU A 15 16.171 -7.247 6.033 1.00 0.00 O ATOM 251 OE2 GLU A 15 16.009 -5.806 7.624 1.00 0.00 O ATOM 0 H GLU A 15 19.758 -5.073 5.843 1.00 0.00 H new ATOM 0 HA GLU A 15 20.755 -7.305 6.877 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.362 -7.076 4.966 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.608 -8.416 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.481 -6.942 8.018 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.522 -5.509 7.010 1.00 0.00 H new ATOM 258 N ASN A 16 22.024 -8.701 5.324 1.00 0.00 N ATOM 259 CA ASN A 16 22.690 -9.699 4.496 1.00 0.00 C ATOM 260 C ASN A 16 23.159 -9.099 3.176 1.00 0.00 C ATOM 261 O ASN A 16 22.792 -9.588 2.106 1.00 0.00 O ATOM 262 CB ASN A 16 21.739 -10.857 4.188 1.00 0.00 C ATOM 263 CG ASN A 16 21.120 -11.384 5.478 1.00 0.00 C ATOM 264 OD1 ASN A 16 20.437 -10.643 6.186 1.00 0.00 O ATOM 265 ND2 ASN A 16 21.329 -12.622 5.834 1.00 0.00 N ATOM 0 H ASN A 16 22.434 -8.582 6.251 1.00 0.00 H new ATOM 0 HA ASN A 16 23.553 -10.059 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 16 20.954 -10.523 3.509 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.279 -11.657 3.682 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.926 -12.978 6.701 1.00 0.00 H new ATOM 0 HD22 ASN A 16 21.895 -13.233 5.246 1.00 0.00 H new ATOM 272 N GLU A 17 23.925 -8.013 3.246 1.00 0.00 N ATOM 273 CA GLU A 17 24.388 -7.327 2.044 1.00 0.00 C ATOM 274 C GLU A 17 25.911 -7.233 2.010 1.00 0.00 C ATOM 275 O GLU A 17 26.559 -7.126 3.051 1.00 0.00 O ATOM 276 CB GLU A 17 23.768 -5.925 1.990 1.00 0.00 C ATOM 277 CG GLU A 17 22.277 -5.985 1.635 1.00 0.00 C ATOM 278 CD GLU A 17 21.908 -4.981 0.543 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.774 -4.532 0.545 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.742 -4.708 -0.304 1.00 0.00 O ATOM 0 H GLU A 17 24.237 -7.590 4.120 1.00 0.00 H new ATOM 0 HA GLU A 17 24.074 -7.902 1.173 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.894 -5.432 2.954 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.295 -5.321 1.252 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.024 -6.992 1.303 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.683 -5.785 2.527 1.00 0.00 H new ATOM 287 N LYS A 18 26.474 -7.452 0.825 1.00 0.00 N ATOM 288 CA LYS A 18 27.924 -7.502 0.661 1.00 0.00 C ATOM 289 C LYS A 18 28.471 -6.079 0.552 1.00 0.00 C ATOM 290 O LYS A 18 28.004 -5.340 -0.315 1.00 0.00 O ATOM 291 CB LYS A 18 28.254 -8.320 -0.596 1.00 0.00 C ATOM 292 CG LYS A 18 28.911 -9.657 -0.236 1.00 0.00 C ATOM 293 CD LYS A 18 27.915 -10.571 0.491 1.00 0.00 C ATOM 294 CE LYS A 18 28.660 -11.517 1.435 1.00 0.00 C ATOM 295 NZ LYS A 18 29.811 -12.134 0.715 1.00 0.00 N ATOM 0 H LYS A 18 25.948 -7.598 -0.037 1.00 0.00 H new ATOM 0 HA LYS A 18 28.390 -7.981 1.522 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.341 -8.502 -1.163 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.921 -7.747 -1.240 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.269 -10.148 -1.141 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.781 -9.482 0.397 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.202 -9.969 1.055 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.341 -11.147 -0.235 1.00 0.00 H new ATOM 0 HE2 LYS A 18 29.015 -10.971 2.309 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.985 -12.293 1.796 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 30.095 -13.009 1.200 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 29.531 -12.355 -0.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 30.610 -11.469 0.704 1.00 0.00 H new ATOM 309 N PRO A 19 29.472 -5.683 1.299 1.00 0.00 N ATOM 310 CA PRO A 19 30.123 -4.357 1.088 1.00 0.00 C ATOM 311 C PRO A 19 30.717 -4.230 -0.311 1.00 0.00 C ATOM 312 O PRO A 19 31.696 -4.913 -0.610 1.00 0.00 O ATOM 313 CB PRO A 19 31.219 -4.273 2.160 1.00 0.00 C ATOM 314 CG PRO A 19 30.929 -5.358 3.147 1.00 0.00 C ATOM 315 CD PRO A 19 30.093 -6.413 2.420 1.00 0.00 C ATOM 0 HA PRO A 19 29.401 -3.545 1.172 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.206 -4.405 1.717 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.215 -3.296 2.644 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.854 -5.793 3.525 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.388 -4.963 4.007 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.714 -7.235 2.063 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.339 -6.845 3.078 1.00 0.00 H new ATOM 323 N ILE A 20 30.357 -3.169 -1.033 1.00 0.00 N ATOM 324 CA ILE A 20 31.073 -2.838 -2.264 1.00 0.00 C ATOM 325 C ILE A 20 31.183 -1.337 -2.512 1.00 0.00 C ATOM 326 O ILE A 20 30.711 -0.509 -1.733 1.00 0.00 O ATOM 327 CB ILE A 20 30.489 -3.564 -3.485 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.362 -2.811 -4.208 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.920 -4.920 -3.062 1.00 0.00 C ATOM 330 CD1 ILE A 20 29.239 -3.323 -5.646 1.00 0.00 C ATOM 0 H ILE A 20 29.592 -2.537 -0.795 1.00 0.00 H new ATOM 0 HA ILE A 20 32.090 -3.201 -2.117 1.00 0.00 H new ATOM 0 HB ILE A 20 31.326 -3.652 -4.178 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.419 -2.953 -3.679 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.569 -1.741 -4.209 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.508 -5.429 -3.933 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.714 -5.528 -2.628 1.00 0.00 H new ATOM 0 HG23 ILE A 20 29.133 -4.770 -2.323 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.439 -2.787 -6.156 1.00 0.00 H new ATOM 0 HD12 ILE A 20 30.179 -3.158 -6.173 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.012 -4.389 -5.634 1.00 0.00 H new ATOM 342 N GLY A 21 31.735 -1.031 -3.682 1.00 0.00 N ATOM 343 CA GLY A 21 31.786 0.333 -4.196 1.00 0.00 C ATOM 344 C GLY A 21 32.078 1.340 -3.092 1.00 0.00 C ATOM 345 O GLY A 21 32.543 0.960 -2.018 1.00 0.00 O ATOM 0 H GLY A 21 32.160 -1.722 -4.301 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.555 0.403 -4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.836 0.579 -4.671 1.00 0.00 H new ATOM 349 N TYR A 22 32.094 2.617 -3.461 1.00 0.00 N ATOM 350 CA TYR A 22 32.517 3.673 -2.546 1.00 0.00 C ATOM 351 C TYR A 22 31.505 4.815 -2.564 1.00 0.00 C ATOM 352 O TYR A 22 30.695 4.923 -3.483 1.00 0.00 O ATOM 353 CB TYR A 22 33.906 4.171 -2.961 1.00 0.00 C ATOM 354 CG TYR A 22 34.733 4.529 -1.747 1.00 0.00 C ATOM 355 CD1 TYR A 22 34.699 5.828 -1.228 1.00 0.00 C ATOM 356 CD2 TYR A 22 35.511 3.546 -1.127 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.434 6.140 -0.077 1.00 0.00 C ATOM 358 CE2 TYR A 22 36.259 3.861 0.014 1.00 0.00 C ATOM 359 CZ TYR A 22 36.221 5.158 0.538 1.00 0.00 C ATOM 360 OH TYR A 22 36.957 5.464 1.664 1.00 0.00 O ATOM 0 H TYR A 22 31.819 2.946 -4.387 1.00 0.00 H new ATOM 0 HA TYR A 22 32.569 3.282 -1.530 1.00 0.00 H new ATOM 0 HB2 TYR A 22 34.416 3.400 -3.539 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.806 5.042 -3.609 1.00 0.00 H new ATOM 0 HD1 TYR A 22 34.107 6.589 -1.714 1.00 0.00 H new ATOM 0 HD2 TYR A 22 35.535 2.544 -1.528 1.00 0.00 H new ATOM 0 HE1 TYR A 22 35.394 7.137 0.336 1.00 0.00 H new ATOM 0 HE2 TYR A 22 36.865 3.104 0.489 1.00 0.00 H new ATOM 0 HH TYR A 22 37.444 4.668 1.962 1.00 0.00 H new ATOM 370 N CYS A 23 31.445 5.546 -1.457 1.00 0.00 N ATOM 371 CA CYS A 23 30.394 6.533 -1.229 1.00 0.00 C ATOM 372 C CYS A 23 30.941 7.617 -0.301 1.00 0.00 C ATOM 373 O CYS A 23 32.149 7.700 -0.079 1.00 0.00 O ATOM 374 CB CYS A 23 29.143 5.872 -0.634 1.00 0.00 C ATOM 375 SG CYS A 23 27.676 6.094 -1.674 1.00 0.00 S ATOM 0 H CYS A 23 32.119 5.473 -0.695 1.00 0.00 H new ATOM 0 HA CYS A 23 30.097 6.982 -2.177 1.00 0.00 H new ATOM 0 HB2 CYS A 23 29.329 4.807 -0.498 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.950 6.291 0.354 1.00 0.00 H new ATOM 380 N ARG A 24 30.073 8.548 0.082 1.00 0.00 N ATOM 381 CA ARG A 24 30.488 9.734 0.822 1.00 0.00 C ATOM 382 C ARG A 24 30.754 9.392 2.283 1.00 0.00 C ATOM 383 O ARG A 24 30.643 8.222 2.649 1.00 0.00 O ATOM 384 CB ARG A 24 29.363 10.769 0.769 1.00 0.00 C ATOM 385 CG ARG A 24 29.047 11.110 -0.687 1.00 0.00 C ATOM 386 CD ARG A 24 27.746 11.912 -0.741 1.00 0.00 C ATOM 387 NE ARG A 24 27.405 12.234 -2.122 1.00 0.00 N ATOM 388 CZ ARG A 24 28.019 13.223 -2.763 1.00 0.00 C ATOM 389 NH1 ARG A 24 28.185 14.375 -2.173 1.00 0.00 N ATOM 390 NH2 ARG A 24 28.528 13.016 -3.945 1.00 0.00 N ATOM 0 H ARG A 24 29.072 8.503 -0.109 1.00 0.00 H new ATOM 0 HA ARG A 24 31.401 10.124 0.372 1.00 0.00 H new ATOM 0 HB2 ARG A 24 28.473 10.379 1.263 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.658 11.669 1.308 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.863 11.686 -1.124 1.00 0.00 H new ATOM 0 HG3 ARG A 24 28.951 10.197 -1.275 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.939 11.339 -0.284 1.00 0.00 H new ATOM 0 HD3 ARG A 24 27.853 12.830 -0.162 1.00 0.00 H new ATOM 0 HE ARG A 24 26.686 11.693 -2.602 1.00 0.00 H new ATOM 0 HH11 ARG A 24 27.844 14.515 -1.222 1.00 0.00 H new ATOM 0 HH12 ARG A 24 28.656 15.136 -2.663 1.00 0.00 H new ATOM 0 HH21 ARG A 24 28.455 12.095 -4.378 1.00 0.00 H new ATOM 0 HH22 ARG A 24 28.999 13.775 -4.437 1.00 0.00 H new ATOM 404 N ASN A 25 31.496 10.281 2.938 1.00 0.00 N ATOM 405 CA ASN A 25 31.756 10.194 4.372 1.00 0.00 C ATOM 406 C ASN A 25 31.785 8.750 4.860 1.00 0.00 C ATOM 407 O ASN A 25 31.305 8.454 5.954 1.00 0.00 O ATOM 408 CB ASN A 25 30.686 10.976 5.136 1.00 0.00 C ATOM 409 CG ASN A 25 30.911 12.476 4.975 1.00 0.00 C ATOM 410 OD1 ASN A 25 32.030 12.915 4.709 1.00 0.00 O ATOM 411 ND2 ASN A 25 29.915 13.295 5.182 1.00 0.00 N ATOM 0 H ASN A 25 31.935 11.084 2.488 1.00 0.00 H new ATOM 0 HA ASN A 25 32.740 10.625 4.558 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.696 10.708 4.766 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.715 10.708 6.192 1.00 0.00 H new ATOM 0 HD21 ASN A 25 30.063 14.303 5.124 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.989 12.927 5.402 1.00 0.00 H new ATOM 418 N GLY A 26 32.633 7.950 4.222 1.00 0.00 N ATOM 419 CA GLY A 26 32.915 6.604 4.707 1.00 0.00 C ATOM 420 C GLY A 26 31.967 5.586 4.082 1.00 0.00 C ATOM 421 O GLY A 26 32.279 4.397 4.027 1.00 0.00 O ATOM 0 H GLY A 26 33.135 8.209 3.372 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.946 6.338 4.472 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.818 6.577 5.792 1.00 0.00 H new ATOM 425 N LYS A 27 30.756 6.021 3.746 1.00 0.00 N ATOM 426 CA LYS A 27 29.734 5.064 3.341 1.00 0.00 C ATOM 427 C LYS A 27 30.071 4.515 1.957 1.00 0.00 C ATOM 428 O LYS A 27 30.838 5.136 1.222 1.00 0.00 O ATOM 429 CB LYS A 27 28.340 5.701 3.355 1.00 0.00 C ATOM 430 CG LYS A 27 28.295 6.856 4.359 1.00 0.00 C ATOM 431 CD LYS A 27 26.844 7.176 4.721 1.00 0.00 C ATOM 432 CE LYS A 27 26.827 8.220 5.839 1.00 0.00 C ATOM 433 NZ LYS A 27 25.417 8.543 6.195 1.00 0.00 N ATOM 0 H LYS A 27 30.465 6.999 3.745 1.00 0.00 H new ATOM 0 HA LYS A 27 29.720 4.242 4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.089 6.066 2.359 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.593 4.952 3.618 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.853 6.590 5.257 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.776 7.737 3.934 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.312 7.552 3.847 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.328 6.271 5.043 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.356 7.841 6.713 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.348 9.122 5.517 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.405 9.253 6.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.926 8.921 5.360 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.934 7.681 6.519 1.00 0.00 H new ATOM 447 N LYS A 28 29.852 3.212 1.810 1.00 0.00 N ATOM 448 CA LYS A 28 30.227 2.478 0.605 1.00 0.00 C ATOM 449 C LYS A 28 28.966 1.890 -0.012 1.00 0.00 C ATOM 450 O LYS A 28 28.002 1.651 0.714 1.00 0.00 O ATOM 451 CB LYS A 28 31.216 1.366 0.953 1.00 0.00 C ATOM 452 CG LYS A 28 32.417 2.014 1.643 1.00 0.00 C ATOM 453 CD LYS A 28 33.544 0.991 1.793 1.00 0.00 C ATOM 454 CE LYS A 28 34.679 1.608 2.614 1.00 0.00 C ATOM 455 NZ LYS A 28 35.915 0.793 2.451 1.00 0.00 N ATOM 0 H LYS A 28 29.409 2.634 2.524 1.00 0.00 H new ATOM 0 HA LYS A 28 30.708 3.149 -0.106 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.750 0.630 1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.531 0.838 0.053 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.764 2.868 1.062 1.00 0.00 H new ATOM 0 HG3 LYS A 28 32.124 2.392 2.622 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.172 0.092 2.284 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.911 0.690 0.812 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.861 2.632 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.397 1.653 3.666 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.685 1.214 3.010 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 35.737 -0.177 2.782 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 36.187 0.772 1.447 1.00 0.00 H new ATOM 469 N CYS A 29 29.064 1.347 -1.221 1.00 0.00 N ATOM 470 CA CYS A 29 27.894 0.672 -1.769 1.00 0.00 C ATOM 471 C CYS A 29 27.976 -0.788 -1.369 1.00 0.00 C ATOM 472 O CYS A 29 28.661 -1.594 -1.992 1.00 0.00 O ATOM 473 CB CYS A 29 27.819 0.740 -3.293 1.00 0.00 C ATOM 474 SG CYS A 29 27.126 2.354 -3.717 1.00 0.00 S ATOM 0 H CYS A 29 29.894 1.357 -1.813 1.00 0.00 H new ATOM 0 HA CYS A 29 27.008 1.171 -1.376 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.808 0.618 -3.734 1.00 0.00 H new ATOM 0 HB3 CYS A 29 27.194 -0.063 -3.684 1.00 0.00 H new ATOM 479 N CYS A 30 27.099 -1.142 -0.443 1.00 0.00 N ATOM 480 CA CYS A 30 26.865 -2.553 -0.201 1.00 0.00 C ATOM 481 C CYS A 30 25.876 -3.083 -1.230 1.00 0.00 C ATOM 482 O CYS A 30 24.667 -2.893 -1.092 1.00 0.00 O ATOM 483 CB CYS A 30 26.311 -2.739 1.209 1.00 0.00 C ATOM 484 SG CYS A 30 27.525 -2.198 2.441 1.00 0.00 S ATOM 0 H CYS A 30 26.557 -0.498 0.133 1.00 0.00 H new ATOM 0 HA CYS A 30 27.800 -3.105 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.389 -2.169 1.323 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.060 -3.787 1.373 1.00 0.00 H new ATOM 489 N VAL A 31 26.365 -3.958 -2.102 1.00 0.00 N ATOM 490 CA VAL A 31 25.491 -4.624 -3.059 1.00 0.00 C ATOM 491 C VAL A 31 24.938 -5.883 -2.403 1.00 0.00 C ATOM 492 O VAL A 31 25.649 -6.873 -2.228 1.00 0.00 O ATOM 493 CB VAL A 31 26.278 -4.928 -4.339 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.855 -6.241 -5.011 1.00 0.00 C ATOM 495 CG2 VAL A 31 26.134 -3.773 -5.336 1.00 0.00 C ATOM 0 H VAL A 31 27.349 -4.220 -2.166 1.00 0.00 H new ATOM 0 HA VAL A 31 24.651 -3.989 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 31 27.320 -5.042 -4.040 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.450 -6.397 -5.911 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.015 -7.070 -4.322 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.800 -6.189 -5.278 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.697 -4.001 -6.241 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.082 -3.639 -5.588 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.520 -2.857 -4.889 1.00 0.00 H new ATOM 505 N ASN A 32 23.612 -5.910 -2.349 1.00 0.00 N ATOM 506 CA ASN A 32 22.891 -7.018 -1.742 1.00 0.00 C ATOM 507 C ASN A 32 23.380 -8.347 -2.305 1.00 0.00 C ATOM 508 O ASN A 32 23.890 -8.335 -3.414 1.00 0.00 O ATOM 509 CB ASN A 32 21.393 -6.822 -1.995 1.00 0.00 C ATOM 510 CG ASN A 32 20.563 -7.349 -0.829 1.00 0.00 C ATOM 511 OD1 ASN A 32 19.681 -6.648 -0.335 1.00 0.00 O ATOM 512 ND2 ASN A 32 20.912 -8.464 -0.248 1.00 0.00 N ATOM 513 OXT ASN A 32 23.475 -9.284 -1.530 1.00 0.00 O ATOM 0 H ASN A 32 23.013 -5.173 -2.721 1.00 0.00 H new ATOM 0 HA ASN A 32 23.073 -7.038 -0.668 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.182 -5.763 -2.145 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.106 -7.337 -2.911 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.454 -8.754 0.616 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.643 -9.045 -0.658 1.00 0.00 H new TER 520 ASN A 32