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 Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ -167:sc= 0.104 (180deg=-0.389) USER MOD Single : A 1 LYS N :NH3+ -158:sc= -0.122 (180deg=-0.909) 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+ -160:sc= -0.0465 (180deg=-0.573) USER MOD Single : A 16 ASN : amide:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 18 LYS NZ :NH3+ -161:sc= -0.122 (180deg=-1.05) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -2.14 X(o=-2.1,f=-2.5) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 26.609 8.496 -7.299 1.00 0.00 N ATOM 2 CA LYS A 1 25.173 8.549 -7.694 1.00 0.00 C ATOM 3 C LYS A 1 24.366 7.654 -6.759 1.00 0.00 C ATOM 4 O LYS A 1 24.263 7.926 -5.563 1.00 0.00 O ATOM 5 CB LYS A 1 25.030 8.066 -9.138 1.00 0.00 C ATOM 6 CG LYS A 1 25.883 8.951 -10.050 1.00 0.00 C ATOM 7 CD LYS A 1 25.761 8.464 -11.496 1.00 0.00 C ATOM 8 CE LYS A 1 26.800 9.180 -12.362 1.00 0.00 C ATOM 9 NZ LYS A 1 26.460 9.001 -13.801 1.00 0.00 N ATOM 0 H1 LYS A 1 27.098 9.343 -7.653 1.00 0.00 H new ATOM 0 H2 LYS A 1 26.683 8.461 -6.262 1.00 0.00 H new ATOM 0 H3 LYS A 1 27.050 7.647 -7.706 1.00 0.00 H new ATOM 0 HA LYS A 1 24.801 9.571 -7.622 1.00 0.00 H new ATOM 0 HB2 LYS A 1 25.347 7.026 -9.220 1.00 0.00 H new ATOM 0 HB3 LYS A 1 23.985 8.106 -9.446 1.00 0.00 H new ATOM 0 HG2 LYS A 1 25.557 9.988 -9.976 1.00 0.00 H new ATOM 0 HG3 LYS A 1 26.925 8.921 -9.732 1.00 0.00 H new ATOM 0 HD2 LYS A 1 25.913 7.386 -11.542 1.00 0.00 H new ATOM 0 HD3 LYS A 1 24.758 8.661 -11.874 1.00 0.00 H new ATOM 0 HE2 LYS A 1 26.826 10.241 -12.113 1.00 0.00 H new ATOM 0 HE3 LYS A 1 27.794 8.780 -12.160 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 27.167 9.488 -14.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 26.456 7.987 -14.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 25.519 9.402 -13.988 1.00 0.00 H new ATOM 25 N LYS A 2 23.842 6.556 -7.298 1.00 0.00 N ATOM 26 CA LYS A 2 23.091 5.583 -6.509 1.00 0.00 C ATOM 27 C LYS A 2 23.798 4.233 -6.563 1.00 0.00 C ATOM 28 O LYS A 2 24.442 3.894 -7.556 1.00 0.00 O ATOM 29 CB LYS A 2 21.662 5.474 -7.062 1.00 0.00 C ATOM 30 CG LYS A 2 20.634 6.003 -6.059 1.00 0.00 C ATOM 31 CD LYS A 2 20.737 7.529 -5.979 1.00 0.00 C ATOM 32 CE LYS A 2 20.056 8.040 -4.707 1.00 0.00 C ATOM 33 NZ LYS A 2 19.606 9.444 -4.924 1.00 0.00 N ATOM 0 H LYS A 2 23.925 6.317 -8.286 1.00 0.00 H new ATOM 0 HA LYS A 2 23.038 5.905 -5.469 1.00 0.00 H new ATOM 0 HB2 LYS A 2 21.587 6.036 -7.993 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.440 4.433 -7.298 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.629 5.711 -6.364 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.809 5.564 -5.077 1.00 0.00 H new ATOM 0 HD2 LYS A 2 21.784 7.831 -5.986 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.270 7.979 -6.856 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.205 7.407 -4.456 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.747 7.993 -3.866 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 19.142 9.797 -4.063 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 20.428 10.042 -5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 18.933 9.474 -5.717 1.00 0.00 H new ATOM 47 N CYS A 3 23.629 3.440 -5.510 1.00 0.00 N ATOM 48 CA CYS A 3 24.251 2.124 -5.473 1.00 0.00 C ATOM 49 C CYS A 3 23.705 1.235 -6.582 1.00 0.00 C ATOM 50 O CYS A 3 23.244 1.742 -7.605 1.00 0.00 O ATOM 51 CB CYS A 3 24.006 1.452 -4.120 1.00 0.00 C ATOM 52 SG CYS A 3 24.860 2.386 -2.827 1.00 0.00 S ATOM 0 H CYS A 3 23.077 3.680 -4.686 1.00 0.00 H new ATOM 0 HA CYS A 3 25.322 2.259 -5.621 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.937 1.411 -3.909 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.367 0.424 -4.141 1.00 0.00 H new ATOM 57 N TRP A 4 24.152 -0.016 -6.548 1.00 0.00 N ATOM 58 CA TRP A 4 23.971 -0.939 -7.663 1.00 0.00 C ATOM 59 C TRP A 4 23.184 -2.150 -7.172 1.00 0.00 C ATOM 60 O TRP A 4 22.877 -2.241 -5.984 1.00 0.00 O ATOM 61 CB TRP A 4 25.335 -1.375 -8.211 1.00 0.00 C ATOM 62 CG TRP A 4 26.352 -0.309 -7.957 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.937 -0.071 -6.763 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.016 0.561 -8.920 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.871 0.936 -6.914 1.00 0.00 N ATOM 66 CE2 TRP A 4 27.947 1.371 -8.221 1.00 0.00 C ATOM 67 CE3 TRP A 4 26.845 0.784 -10.296 1.00 0.00 C ATOM 68 CZ2 TRP A 4 28.709 2.342 -8.878 1.00 0.00 C ATOM 69 CZ3 TRP A 4 27.623 1.739 -10.962 1.00 0.00 C ATOM 70 CH2 TRP A 4 28.548 2.519 -10.257 1.00 0.00 C ATOM 0 H TRP A 4 24.647 -0.417 -5.752 1.00 0.00 H new ATOM 0 HA TRP A 4 23.422 -0.448 -8.467 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.646 -2.306 -7.737 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.261 -1.571 -9.281 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.711 -0.584 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.435 1.312 -6.152 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.109 0.215 -10.844 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 29.413 2.948 -8.328 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 27.509 1.875 -12.027 1.00 0.00 H new ATOM 0 HH2 TRP A 4 29.138 3.258 -10.778 1.00 0.00 H new ATOM 81 N ASN A 5 22.743 -2.990 -8.104 1.00 0.00 N ATOM 82 CA ASN A 5 22.008 -4.201 -7.753 1.00 0.00 C ATOM 83 C ASN A 5 21.013 -3.924 -6.630 1.00 0.00 C ATOM 84 O ASN A 5 20.677 -4.813 -5.848 1.00 0.00 O ATOM 85 CB ASN A 5 22.981 -5.294 -7.308 1.00 0.00 C ATOM 86 CG ASN A 5 23.768 -5.818 -8.504 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.465 -6.891 -9.024 1.00 0.00 O ATOM 88 ND2 ASN A 5 24.836 -5.177 -8.895 1.00 0.00 N ATOM 0 H ASN A 5 22.881 -2.855 -9.106 1.00 0.00 H new ATOM 0 HA ASN A 5 21.461 -4.534 -8.635 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.666 -4.898 -6.558 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.432 -6.110 -6.839 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.422 -5.566 -9.634 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.084 -4.288 -8.462 1.00 0.00 H new ATOM 95 N GLY A 6 20.475 -2.709 -6.621 1.00 0.00 N ATOM 96 CA GLY A 6 19.431 -2.350 -5.670 1.00 0.00 C ATOM 97 C GLY A 6 19.985 -2.180 -4.259 1.00 0.00 C ATOM 98 O GLY A 6 19.254 -1.805 -3.343 1.00 0.00 O ATOM 0 H GLY A 6 20.744 -1.960 -7.259 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.953 -1.423 -5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.661 -3.121 -5.668 1.00 0.00 H new ATOM 102 N GLY A 7 21.301 -2.294 -4.124 1.00 0.00 N ATOM 103 CA GLY A 7 21.930 -2.122 -2.819 1.00 0.00 C ATOM 104 C GLY A 7 21.631 -0.743 -2.240 1.00 0.00 C ATOM 105 O GLY A 7 21.013 0.086 -2.907 1.00 0.00 O ATOM 0 H GLY A 7 21.945 -2.501 -4.888 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.572 -2.892 -2.135 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.008 -2.255 -2.912 1.00 0.00 H new ATOM 109 N ARG A 8 22.290 -0.419 -1.130 1.00 0.00 N ATOM 110 CA ARG A 8 22.183 0.912 -0.538 1.00 0.00 C ATOM 111 C ARG A 8 23.558 1.429 -0.120 1.00 0.00 C ATOM 112 O ARG A 8 24.533 0.678 -0.141 1.00 0.00 O ATOM 113 CB ARG A 8 21.264 0.869 0.688 1.00 0.00 C ATOM 114 CG ARG A 8 21.712 -0.229 1.661 1.00 0.00 C ATOM 115 CD ARG A 8 21.424 0.170 3.112 1.00 0.00 C ATOM 116 NE ARG A 8 19.990 0.239 3.365 1.00 0.00 N ATOM 117 CZ ARG A 8 19.524 0.386 4.602 1.00 0.00 C ATOM 118 NH1 ARG A 8 18.341 -0.071 4.910 1.00 0.00 N ATOM 119 NH2 ARG A 8 20.311 0.832 5.543 1.00 0.00 N ATOM 0 H ARG A 8 22.902 -1.058 -0.623 1.00 0.00 H new ATOM 0 HA ARG A 8 21.764 1.585 -1.286 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.276 1.836 1.192 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.237 0.686 0.373 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.195 -1.160 1.427 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.779 -0.417 1.537 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.881 -0.553 3.788 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.880 1.137 3.323 1.00 0.00 H new ATOM 0 HE ARG A 8 19.337 0.174 2.584 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.775 -0.540 4.203 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.982 0.041 5.858 1.00 0.00 H new ATOM 0 HH21 ARG A 8 21.280 1.067 5.329 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.957 0.946 6.493 1.00 0.00 H new ATOM 133 N CYS A 9 23.598 2.637 0.438 1.00 0.00 N ATOM 134 CA CYS A 9 24.831 3.189 0.995 1.00 0.00 C ATOM 135 C CYS A 9 24.751 3.172 2.520 1.00 0.00 C ATOM 136 O CYS A 9 23.858 3.775 3.113 1.00 0.00 O ATOM 137 CB CYS A 9 25.064 4.622 0.499 1.00 0.00 C ATOM 138 SG CYS A 9 25.910 4.605 -1.103 1.00 0.00 S ATOM 0 H CYS A 9 22.789 3.253 0.517 1.00 0.00 H new ATOM 0 HA CYS A 9 25.669 2.575 0.664 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.110 5.142 0.408 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.660 5.173 1.226 1.00 0.00 H new ATOM 143 N ARG A 10 25.754 2.561 3.144 1.00 0.00 N ATOM 144 CA ARG A 10 25.870 2.567 4.598 1.00 0.00 C ATOM 145 C ARG A 10 27.291 2.166 4.988 1.00 0.00 C ATOM 146 O ARG A 10 27.920 1.358 4.306 1.00 0.00 O ATOM 147 CB ARG A 10 24.830 1.609 5.197 1.00 0.00 C ATOM 148 CG ARG A 10 23.811 2.366 6.056 1.00 0.00 C ATOM 149 CD ARG A 10 24.468 2.924 7.325 1.00 0.00 C ATOM 150 NE ARG A 10 23.613 2.661 8.477 1.00 0.00 N ATOM 151 CZ ARG A 10 22.921 3.627 9.077 1.00 0.00 C ATOM 152 NH1 ARG A 10 21.638 3.732 8.873 1.00 0.00 N ATOM 153 NH2 ARG A 10 23.523 4.444 9.897 1.00 0.00 N ATOM 0 H ARG A 10 26.499 2.055 2.664 1.00 0.00 H new ATOM 0 HA ARG A 10 25.675 3.565 4.992 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.313 1.081 4.395 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.332 0.855 5.803 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.377 3.182 5.478 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.993 1.699 6.329 1.00 0.00 H new ATOM 0 HD2 ARG A 10 25.445 2.464 7.473 1.00 0.00 H new ATOM 0 HD3 ARG A 10 24.633 3.996 7.219 1.00 0.00 H new ATOM 0 HE ARG A 10 23.543 1.708 8.834 1.00 0.00 H new ATOM 0 HH11 ARG A 10 21.165 3.074 8.254 1.00 0.00 H new ATOM 0 HH12 ARG A 10 21.107 4.472 9.333 1.00 0.00 H new ATOM 0 HH21 ARG A 10 24.522 4.342 10.077 1.00 0.00 H new ATOM 0 HH22 ARG A 10 22.995 5.185 10.358 1.00 0.00 H new ATOM 167 N LYS A 11 27.760 2.656 6.132 1.00 0.00 N ATOM 168 CA LYS A 11 29.058 2.236 6.649 1.00 0.00 C ATOM 169 C LYS A 11 29.061 0.727 6.852 1.00 0.00 C ATOM 170 O LYS A 11 30.106 0.110 7.062 1.00 0.00 O ATOM 171 CB LYS A 11 29.334 2.920 7.988 1.00 0.00 C ATOM 172 CG LYS A 11 29.411 4.432 7.770 1.00 0.00 C ATOM 173 CD LYS A 11 29.541 5.161 9.112 1.00 0.00 C ATOM 174 CE LYS A 11 28.160 5.394 9.735 1.00 0.00 C ATOM 175 NZ LYS A 11 28.281 5.380 11.219 1.00 0.00 N ATOM 0 H LYS A 11 27.268 3.336 6.712 1.00 0.00 H new ATOM 0 HA LYS A 11 29.831 2.516 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.545 2.682 8.701 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.269 2.553 8.412 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.264 4.671 7.135 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.519 4.776 7.247 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.159 4.575 9.792 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.046 6.116 8.966 1.00 0.00 H new ATOM 0 HE2 LYS A 11 27.754 6.349 9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 11 27.466 4.620 9.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 27.346 5.538 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 28.651 4.459 11.528 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 28.931 6.134 11.521 1.00 0.00 H new ATOM 189 N LYS A 12 27.860 0.159 6.842 1.00 0.00 N ATOM 190 CA LYS A 12 27.670 -1.282 6.952 1.00 0.00 C ATOM 191 C LYS A 12 26.785 -1.752 5.803 1.00 0.00 C ATOM 192 O LYS A 12 26.434 -0.969 4.921 1.00 0.00 O ATOM 193 CB LYS A 12 27.023 -1.611 8.305 1.00 0.00 C ATOM 194 CG LYS A 12 27.892 -2.579 9.111 1.00 0.00 C ATOM 195 CD LYS A 12 27.290 -2.766 10.505 1.00 0.00 C ATOM 196 CE LYS A 12 25.934 -3.469 10.408 1.00 0.00 C ATOM 197 NZ LYS A 12 25.633 -4.138 11.705 1.00 0.00 N ATOM 0 H LYS A 12 26.990 0.685 6.757 1.00 0.00 H new ATOM 0 HA LYS A 12 28.630 -1.795 6.895 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.874 -0.693 8.873 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.038 -2.050 8.144 1.00 0.00 H new ATOM 0 HG2 LYS A 12 27.956 -3.539 8.599 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.908 -2.192 9.191 1.00 0.00 H new ATOM 0 HD2 LYS A 12 27.968 -3.352 11.126 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.171 -1.797 10.990 1.00 0.00 H new ATOM 0 HE2 LYS A 12 25.153 -2.747 10.168 1.00 0.00 H new ATOM 0 HE3 LYS A 12 25.948 -4.203 9.602 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 24.712 -4.617 11.643 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.374 -4.837 11.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 25.603 -3.427 12.464 1.00 0.00 H new ATOM 211 N CYS A 13 26.638 -3.067 5.687 1.00 0.00 N ATOM 212 CA CYS A 13 25.809 -3.648 4.638 1.00 0.00 C ATOM 213 C CYS A 13 24.514 -4.198 5.215 1.00 0.00 C ATOM 214 O CYS A 13 24.515 -4.999 6.150 1.00 0.00 O ATOM 215 CB CYS A 13 26.613 -4.751 3.949 1.00 0.00 C ATOM 216 SG CYS A 13 28.177 -4.036 3.389 1.00 0.00 S ATOM 0 H CYS A 13 27.080 -3.748 6.304 1.00 0.00 H new ATOM 0 HA CYS A 13 25.537 -2.882 3.912 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.796 -5.576 4.638 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.056 -5.158 3.105 1.00 0.00 H new ATOM 221 N LYS A 14 23.411 -3.719 4.650 1.00 0.00 N ATOM 222 CA LYS A 14 22.088 -4.120 5.107 1.00 0.00 C ATOM 223 C LYS A 14 22.049 -5.629 5.327 1.00 0.00 C ATOM 224 O LYS A 14 22.986 -6.346 4.976 1.00 0.00 O ATOM 225 CB LYS A 14 21.041 -3.653 4.089 1.00 0.00 C ATOM 226 CG LYS A 14 19.737 -4.440 4.239 1.00 0.00 C ATOM 227 CD LYS A 14 18.655 -3.819 3.355 1.00 0.00 C ATOM 228 CE LYS A 14 17.342 -4.575 3.572 1.00 0.00 C ATOM 229 NZ LYS A 14 17.510 -5.992 3.143 1.00 0.00 N ATOM 0 H LYS A 14 23.408 -3.054 3.877 1.00 0.00 H new ATOM 0 HA LYS A 14 21.858 -3.650 6.064 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.845 -2.589 4.226 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.431 -3.778 3.079 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.895 -5.481 3.959 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.416 -4.435 5.281 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.528 -2.765 3.600 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.950 -3.869 2.307 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.055 -4.533 4.623 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.540 -4.104 3.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.576 -6.414 2.965 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 18.077 -6.026 2.272 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.994 -6.526 3.892 1.00 0.00 H new ATOM 243 N GLU A 15 20.994 -6.095 5.987 1.00 0.00 N ATOM 244 CA GLU A 15 20.856 -7.512 6.297 1.00 0.00 C ATOM 245 C GLU A 15 21.376 -8.389 5.161 1.00 0.00 C ATOM 246 O GLU A 15 20.884 -8.322 4.034 1.00 0.00 O ATOM 247 CB GLU A 15 19.382 -7.835 6.552 1.00 0.00 C ATOM 248 CG GLU A 15 18.923 -7.187 7.862 1.00 0.00 C ATOM 249 CD GLU A 15 18.772 -5.680 7.681 1.00 0.00 C ATOM 250 OE1 GLU A 15 19.757 -4.982 7.856 1.00 0.00 O ATOM 251 OE2 GLU A 15 17.647 -5.237 7.520 1.00 0.00 O ATOM 0 H GLU A 15 20.224 -5.513 6.317 1.00 0.00 H new ATOM 0 HA GLU A 15 21.450 -7.722 7.186 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.773 -7.472 5.724 1.00 0.00 H new ATOM 0 HB3 GLU A 15 19.241 -8.915 6.602 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.973 -7.620 8.177 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.645 -7.395 8.651 1.00 0.00 H new ATOM 258 N ASN A 16 22.480 -9.078 5.431 1.00 0.00 N ATOM 259 CA ASN A 16 23.038 -10.033 4.479 1.00 0.00 C ATOM 260 C ASN A 16 23.400 -9.351 3.166 1.00 0.00 C ATOM 261 O ASN A 16 22.949 -9.773 2.101 1.00 0.00 O ATOM 262 CB ASN A 16 22.022 -11.136 4.182 1.00 0.00 C ATOM 263 CG ASN A 16 21.533 -11.759 5.485 1.00 0.00 C ATOM 264 OD1 ASN A 16 22.338 -12.135 6.336 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.251 -11.898 5.686 1.00 0.00 N ATOM 0 H ASN A 16 23.006 -8.993 6.301 1.00 0.00 H new ATOM 0 HA ASN A 16 23.937 -10.456 4.928 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.179 -10.725 3.627 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.477 -11.900 3.552 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.913 -12.320 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.587 -11.585 4.978 1.00 0.00 H new ATOM 272 N GLU A 17 24.144 -8.251 3.248 1.00 0.00 N ATOM 273 CA GLU A 17 24.543 -7.510 2.056 1.00 0.00 C ATOM 274 C GLU A 17 26.061 -7.395 1.967 1.00 0.00 C ATOM 275 O GLU A 17 26.750 -7.374 2.987 1.00 0.00 O ATOM 276 CB GLU A 17 23.901 -6.118 2.083 1.00 0.00 C ATOM 277 CG GLU A 17 22.385 -6.193 1.859 1.00 0.00 C ATOM 278 CD GLU A 17 21.900 -5.166 0.838 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.788 -4.690 0.998 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.664 -4.811 -0.045 1.00 0.00 O ATOM 0 H GLU A 17 24.482 -7.854 4.125 1.00 0.00 H new ATOM 0 HA GLU A 17 24.198 -8.050 1.174 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.105 -5.641 3.042 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.353 -5.493 1.313 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.119 -7.194 1.519 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.871 -6.031 2.807 1.00 0.00 H new ATOM 287 N LYS A 18 26.585 -7.480 0.746 1.00 0.00 N ATOM 288 CA LYS A 18 28.029 -7.480 0.534 1.00 0.00 C ATOM 289 C LYS A 18 28.530 -6.039 0.430 1.00 0.00 C ATOM 290 O LYS A 18 28.008 -5.299 -0.402 1.00 0.00 O ATOM 291 CB LYS A 18 28.352 -8.270 -0.743 1.00 0.00 C ATOM 292 CG LYS A 18 29.330 -9.416 -0.458 1.00 0.00 C ATOM 293 CD LYS A 18 28.601 -10.559 0.255 1.00 0.00 C ATOM 294 CE LYS A 18 29.610 -11.428 1.009 1.00 0.00 C ATOM 295 NZ LYS A 18 30.872 -11.513 0.222 1.00 0.00 N ATOM 0 H LYS A 18 26.032 -7.550 -0.109 1.00 0.00 H new ATOM 0 HA LYS A 18 28.532 -7.957 1.375 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.432 -8.672 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.781 -7.600 -1.489 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.764 -9.776 -1.391 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.154 -9.058 0.159 1.00 0.00 H new ATOM 0 HD2 LYS A 18 27.864 -10.155 0.950 1.00 0.00 H new ATOM 0 HD3 LYS A 18 28.057 -11.164 -0.470 1.00 0.00 H new ATOM 0 HE2 LYS A 18 29.809 -11.003 1.993 1.00 0.00 H new ATOM 0 HE3 LYS A 18 29.200 -12.425 1.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 31.428 -12.331 0.544 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 30.645 -11.624 -0.787 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 31.426 -10.643 0.359 1.00 0.00 H new ATOM 309 N PRO A 19 29.560 -5.635 1.132 1.00 0.00 N ATOM 310 CA PRO A 19 30.172 -4.292 0.911 1.00 0.00 C ATOM 311 C PRO A 19 30.672 -4.117 -0.519 1.00 0.00 C ATOM 312 O PRO A 19 31.672 -4.735 -0.884 1.00 0.00 O ATOM 313 CB PRO A 19 31.324 -4.198 1.920 1.00 0.00 C ATOM 314 CG PRO A 19 31.182 -5.361 2.847 1.00 0.00 C ATOM 315 CD PRO A 19 30.311 -6.404 2.142 1.00 0.00 C ATOM 0 HA PRO A 19 29.439 -3.498 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.287 -4.225 1.411 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.281 -3.258 2.470 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.159 -5.778 3.092 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.724 -5.050 3.786 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.919 -7.181 1.678 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.640 -6.900 2.843 1.00 0.00 H new ATOM 323 N ILE A 20 30.238 -3.039 -1.170 1.00 0.00 N ATOM 324 CA ILE A 20 30.880 -2.617 -2.414 1.00 0.00 C ATOM 325 C ILE A 20 30.907 -1.101 -2.586 1.00 0.00 C ATOM 326 O ILE A 20 30.436 -0.336 -1.744 1.00 0.00 O ATOM 327 CB ILE A 20 30.262 -3.308 -3.640 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.080 -2.562 -4.275 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.755 -4.700 -3.257 1.00 0.00 C ATOM 330 CD1 ILE A 20 28.910 -3.009 -5.730 1.00 0.00 C ATOM 0 H ILE A 20 29.461 -2.452 -0.865 1.00 0.00 H new ATOM 0 HA ILE A 20 31.919 -2.939 -2.339 1.00 0.00 H new ATOM 0 HB ILE A 20 31.069 -3.338 -4.372 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.167 -2.762 -3.714 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.251 -1.486 -4.232 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.319 -5.182 -4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.586 -5.301 -2.888 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.998 -4.610 -2.478 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.070 -2.478 -6.178 1.00 0.00 H new ATOM 0 HD12 ILE A 20 29.820 -2.786 -6.288 1.00 0.00 H new ATOM 0 HD13 ILE A 20 28.719 -4.082 -5.761 1.00 0.00 H new ATOM 342 N GLY A 21 31.391 -0.710 -3.761 1.00 0.00 N ATOM 343 CA GLY A 21 31.360 0.677 -4.208 1.00 0.00 C ATOM 344 C GLY A 21 31.653 1.642 -3.066 1.00 0.00 C ATOM 345 O GLY A 21 32.199 1.233 -2.043 1.00 0.00 O ATOM 0 H GLY A 21 31.817 -1.349 -4.432 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.092 0.820 -5.003 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.381 0.901 -4.632 1.00 0.00 H new ATOM 349 N TYR A 22 31.578 2.934 -3.372 1.00 0.00 N ATOM 350 CA TYR A 22 31.987 3.975 -2.434 1.00 0.00 C ATOM 351 C TYR A 22 30.885 5.027 -2.328 1.00 0.00 C ATOM 352 O TYR A 22 30.005 5.107 -3.185 1.00 0.00 O ATOM 353 CB TYR A 22 33.307 4.599 -2.909 1.00 0.00 C ATOM 354 CG TYR A 22 34.377 4.504 -1.846 1.00 0.00 C ATOM 355 CD1 TYR A 22 34.625 5.591 -1.000 1.00 0.00 C ATOM 356 CD2 TYR A 22 35.050 3.292 -1.642 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.593 5.489 0.006 1.00 0.00 C ATOM 358 CE2 TYR A 22 36.021 3.191 -0.640 1.00 0.00 C ATOM 359 CZ TYR A 22 36.301 4.293 0.177 1.00 0.00 C ATOM 360 OH TYR A 22 37.258 4.193 1.167 1.00 0.00 O ATOM 0 H TYR A 22 31.236 3.286 -4.266 1.00 0.00 H new ATOM 0 HA TYR A 22 32.146 3.547 -1.444 1.00 0.00 H new ATOM 0 HB2 TYR A 22 33.645 4.094 -3.814 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.144 5.645 -3.170 1.00 0.00 H new ATOM 0 HD1 TYR A 22 34.069 6.509 -1.123 1.00 0.00 H new ATOM 0 HD2 TYR A 22 34.819 2.436 -2.258 1.00 0.00 H new ATOM 0 HE1 TYR A 22 35.794 6.332 0.650 1.00 0.00 H new ATOM 0 HE2 TYR A 22 36.555 2.263 -0.497 1.00 0.00 H new ATOM 0 HH TYR A 22 37.654 3.297 1.150 1.00 0.00 H new ATOM 370 N CYS A 23 30.853 5.716 -1.193 1.00 0.00 N ATOM 371 CA CYS A 23 29.779 6.652 -0.882 1.00 0.00 C ATOM 372 C CYS A 23 30.316 7.687 0.107 1.00 0.00 C ATOM 373 O CYS A 23 31.528 7.794 0.294 1.00 0.00 O ATOM 374 CB CYS A 23 28.567 5.897 -0.319 1.00 0.00 C ATOM 375 SG CYS A 23 27.038 6.282 -1.211 1.00 0.00 S ATOM 0 H CYS A 23 31.566 5.643 -0.467 1.00 0.00 H new ATOM 0 HA CYS A 23 29.444 7.166 -1.783 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.754 4.824 -0.371 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.443 6.148 0.734 1.00 0.00 H new ATOM 380 N ARG A 24 29.441 8.572 0.572 1.00 0.00 N ATOM 381 CA ARG A 24 29.862 9.723 1.365 1.00 0.00 C ATOM 382 C ARG A 24 30.193 9.315 2.797 1.00 0.00 C ATOM 383 O ARG A 24 30.134 8.128 3.111 1.00 0.00 O ATOM 384 CB ARG A 24 28.732 10.751 1.418 1.00 0.00 C ATOM 385 CG ARG A 24 28.368 11.205 0.004 1.00 0.00 C ATOM 386 CD ARG A 24 27.323 12.318 0.096 1.00 0.00 C ATOM 387 NE ARG A 24 26.343 11.996 1.128 1.00 0.00 N ATOM 388 CZ ARG A 24 25.053 12.279 0.984 1.00 0.00 C ATOM 389 NH1 ARG A 24 24.448 13.026 1.868 1.00 0.00 N ATOM 390 NH2 ARG A 24 24.383 11.781 -0.019 1.00 0.00 N ATOM 0 H ARG A 24 28.435 8.515 0.414 1.00 0.00 H new ATOM 0 HA ARG A 24 30.750 10.143 0.894 1.00 0.00 H new ATOM 0 HB2 ARG A 24 27.859 10.318 1.905 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.038 11.609 2.016 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.256 11.563 -0.517 1.00 0.00 H new ATOM 0 HG3 ARG A 24 27.976 10.367 -0.572 1.00 0.00 H new ATOM 0 HD2 ARG A 24 27.809 13.266 0.327 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.824 12.441 -0.865 1.00 0.00 H new ATOM 0 HE ARG A 24 26.657 11.540 1.985 1.00 0.00 H new ATOM 0 HH11 ARG A 24 24.966 13.391 2.667 1.00 0.00 H new ATOM 0 HH12 ARG A 24 23.458 13.244 1.759 1.00 0.00 H new ATOM 0 HH21 ARG A 24 24.850 11.174 -0.693 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.393 11.999 -0.129 1.00 0.00 H new ATOM 404 N ASN A 25 30.919 10.206 3.467 1.00 0.00 N ATOM 405 CA ASN A 25 31.244 10.062 4.882 1.00 0.00 C ATOM 406 C ASN A 25 31.404 8.600 5.285 1.00 0.00 C ATOM 407 O ASN A 25 30.965 8.205 6.364 1.00 0.00 O ATOM 408 CB ASN A 25 30.143 10.685 5.741 1.00 0.00 C ATOM 409 CG ASN A 25 29.820 12.094 5.259 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.672 12.982 5.317 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.595 12.384 4.917 1.00 0.00 N ATOM 0 H ASN A 25 31.300 11.051 3.041 1.00 0.00 H new ATOM 0 HA ASN A 25 32.192 10.574 5.045 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.247 10.066 5.699 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.461 10.715 6.783 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.341 13.347 4.697 1.00 0.00 H new ATOM 0 HD22 ASN A 25 27.891 11.648 4.869 1.00 0.00 H new ATOM 418 N GLY A 26 32.281 7.896 4.576 1.00 0.00 N ATOM 419 CA GLY A 26 32.628 6.529 4.948 1.00 0.00 C ATOM 420 C GLY A 26 31.699 5.522 4.278 1.00 0.00 C ATOM 421 O GLY A 26 32.052 4.352 4.132 1.00 0.00 O ATOM 0 H GLY A 26 32.761 8.246 3.747 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.659 6.322 4.662 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.569 6.418 6.031 1.00 0.00 H new ATOM 425 N LYS A 27 30.456 5.925 4.033 1.00 0.00 N ATOM 426 CA LYS A 27 29.448 4.960 3.613 1.00 0.00 C ATOM 427 C LYS A 27 29.747 4.488 2.194 1.00 0.00 C ATOM 428 O LYS A 27 30.421 5.189 1.439 1.00 0.00 O ATOM 429 CB LYS A 27 28.039 5.554 3.708 1.00 0.00 C ATOM 430 CG LYS A 27 27.971 6.607 4.818 1.00 0.00 C ATOM 431 CD LYS A 27 26.531 6.754 5.315 1.00 0.00 C ATOM 432 CE LYS A 27 26.509 7.715 6.504 1.00 0.00 C ATOM 433 NZ LYS A 27 25.109 7.855 6.998 1.00 0.00 N ATOM 0 H LYS A 27 30.129 6.888 4.115 1.00 0.00 H new ATOM 0 HA LYS A 27 29.485 4.103 4.285 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.764 6.005 2.755 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.317 4.762 3.906 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.621 6.319 5.644 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.335 7.564 4.445 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.893 7.131 4.515 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.133 5.783 5.609 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.152 7.341 7.301 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.901 8.688 6.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.090 8.508 7.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.508 8.230 6.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.751 6.925 7.296 1.00 0.00 H new ATOM 447 N LYS A 28 29.598 3.183 1.999 1.00 0.00 N ATOM 448 CA LYS A 28 29.938 2.531 0.738 1.00 0.00 C ATOM 449 C LYS A 28 28.667 1.941 0.145 1.00 0.00 C ATOM 450 O LYS A 28 27.753 1.613 0.903 1.00 0.00 O ATOM 451 CB LYS A 28 30.971 1.428 0.974 1.00 0.00 C ATOM 452 CG LYS A 28 32.194 2.059 1.641 1.00 0.00 C ATOM 453 CD LYS A 28 33.359 1.069 1.661 1.00 0.00 C ATOM 454 CE LYS A 28 34.452 1.589 2.602 1.00 0.00 C ATOM 455 NZ LYS A 28 34.393 3.076 2.677 1.00 0.00 N ATOM 0 H LYS A 28 29.238 2.546 2.710 1.00 0.00 H new ATOM 0 HA LYS A 28 30.369 3.257 0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.554 0.645 1.607 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.251 0.960 0.030 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.484 2.962 1.103 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.946 2.360 2.659 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.013 0.090 1.993 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.760 0.941 0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.322 1.161 3.596 1.00 0.00 H new ATOM 0 HE3 LYS A 28 35.432 1.273 2.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.257 3.435 3.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.317 3.469 1.717 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 33.564 3.363 3.236 1.00 0.00 H new ATOM 469 N CYS A 29 28.729 1.470 -1.096 1.00 0.00 N ATOM 470 CA CYS A 29 27.559 0.778 -1.621 1.00 0.00 C ATOM 471 C CYS A 29 27.727 -0.694 -1.300 1.00 0.00 C ATOM 472 O CYS A 29 28.399 -1.442 -2.006 1.00 0.00 O ATOM 473 CB CYS A 29 27.431 0.913 -3.138 1.00 0.00 C ATOM 474 SG CYS A 29 26.764 2.558 -3.480 1.00 0.00 S ATOM 0 H CYS A 29 29.528 1.547 -1.726 1.00 0.00 H new ATOM 0 HA CYS A 29 26.668 1.216 -1.170 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.401 0.785 -3.618 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.773 0.141 -3.538 1.00 0.00 H new ATOM 479 N CYS A 30 26.918 -1.129 -0.348 1.00 0.00 N ATOM 480 CA CYS A 30 26.775 -2.556 -0.130 1.00 0.00 C ATOM 481 C CYS A 30 25.753 -3.112 -1.111 1.00 0.00 C ATOM 482 O CYS A 30 24.547 -2.978 -0.902 1.00 0.00 O ATOM 483 CB CYS A 30 26.318 -2.801 1.307 1.00 0.00 C ATOM 484 SG CYS A 30 27.617 -2.321 2.475 1.00 0.00 S ATOM 0 H CYS A 30 26.366 -0.534 0.269 1.00 0.00 H new ATOM 0 HA CYS A 30 27.730 -3.057 -0.290 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.411 -2.232 1.509 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.070 -3.854 1.442 1.00 0.00 H new ATOM 489 N VAL A 31 26.226 -3.936 -2.041 1.00 0.00 N ATOM 490 CA VAL A 31 25.321 -4.582 -2.981 1.00 0.00 C ATOM 491 C VAL A 31 24.831 -5.879 -2.350 1.00 0.00 C ATOM 492 O VAL A 31 25.576 -6.852 -2.229 1.00 0.00 O ATOM 493 CB VAL A 31 26.031 -4.824 -4.318 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.535 -6.096 -5.015 1.00 0.00 C ATOM 495 CG2 VAL A 31 25.835 -3.623 -5.249 1.00 0.00 C ATOM 0 H VAL A 31 27.212 -4.168 -2.162 1.00 0.00 H new ATOM 0 HA VAL A 31 24.462 -3.945 -3.192 1.00 0.00 H new ATOM 0 HB VAL A 31 27.091 -4.954 -4.098 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.067 -6.225 -5.958 1.00 0.00 H new ATOM 0 HG12 VAL A 31 25.719 -6.958 -4.373 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.466 -6.011 -5.210 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.344 -3.809 -6.195 1.00 0.00 H new ATOM 0 HG22 VAL A 31 24.771 -3.475 -5.433 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.250 -2.730 -4.783 1.00 0.00 H new ATOM 505 N ASN A 32 23.511 -5.940 -2.221 1.00 0.00 N ATOM 506 CA ASN A 32 22.859 -7.069 -1.575 1.00 0.00 C ATOM 507 C ASN A 32 23.331 -8.381 -2.191 1.00 0.00 C ATOM 508 O ASN A 32 23.918 -9.165 -1.465 1.00 0.00 O ATOM 509 CB ASN A 32 21.344 -6.915 -1.720 1.00 0.00 C ATOM 510 CG ASN A 32 20.622 -7.685 -0.619 1.00 0.00 C ATOM 511 OD1 ASN A 32 20.947 -8.842 -0.357 1.00 0.00 O ATOM 512 ND2 ASN A 32 19.757 -7.060 0.134 1.00 0.00 N ATOM 513 OXT ASN A 32 23.320 -8.465 -3.408 1.00 0.00 O ATOM 0 H ASN A 32 22.872 -5.219 -2.556 1.00 0.00 H new ATOM 0 HA ASN A 32 23.120 -7.087 -0.517 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.073 -5.860 -1.672 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.027 -7.281 -2.696 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.349 -7.531 0.941 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.489 -6.101 -0.085 1.00 0.00 H new TER 520 ASN A 32