USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=6 USER MOD reduce.3.24.130724 removed 263 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 22 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 28 LYS NZ :NH3+ 166:sc= 0.0186 (180deg=0) USER MOD Single : A 1 LYS N :NH3+ -172:sc= -1.21 (180deg=-1.27) 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= -4.63! K(o=-4.6!,f=-0.87) USER MOD Single : A 11 LYS NZ :NH3+ -140:sc= -0.0894! (180deg=-2.12!) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -1.63! C(o=-1.6!,f=-7.6!) USER MOD Single : A 18 LYS NZ :NH3+ 153:sc= -0.201 (180deg=-1.21) USER MOD Single : A 25 ASN : amide:sc= -0.0279 X(o=-0.028,f=0) USER MOD Single : A 27 LYS NZ :NH3+ -128:sc= -0.469 (180deg=-3.73!) USER MOD Single : A 32 ASN : amide:sc= -4.41! C(o=-4.4!,f=-4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 24.349 8.520 -3.581 1.00 0.00 N ATOM 2 CA LYS A 1 23.308 7.464 -3.433 1.00 0.00 C ATOM 3 C LYS A 1 23.344 6.552 -4.655 1.00 0.00 C ATOM 4 O LYS A 1 22.312 6.044 -5.093 1.00 0.00 O ATOM 5 CB LYS A 1 21.936 8.129 -3.308 1.00 0.00 C ATOM 6 CG LYS A 1 21.917 9.013 -2.060 1.00 0.00 C ATOM 7 CD LYS A 1 20.574 9.741 -1.964 1.00 0.00 C ATOM 8 CE LYS A 1 20.556 10.725 -0.787 1.00 0.00 C ATOM 9 NZ LYS A 1 20.533 12.117 -1.316 1.00 0.00 N ATOM 0 H1 LYS A 1 24.423 9.061 -2.696 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.266 8.077 -3.793 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.086 9.160 -4.357 1.00 0.00 H new ATOM 0 HA LYS A 1 23.499 6.869 -2.540 1.00 0.00 H new ATOM 0 HB2 LYS A 1 21.726 8.727 -4.195 1.00 0.00 H new ATOM 0 HB3 LYS A 1 21.156 7.371 -3.243 1.00 0.00 H new ATOM 0 HG2 LYS A 1 22.077 8.405 -1.169 1.00 0.00 H new ATOM 0 HG3 LYS A 1 22.731 9.736 -2.102 1.00 0.00 H new ATOM 0 HD2 LYS A 1 20.382 10.278 -2.893 1.00 0.00 H new ATOM 0 HD3 LYS A 1 19.771 9.013 -1.845 1.00 0.00 H new ATOM 0 HE2 LYS A 1 19.682 10.546 -0.161 1.00 0.00 H new ATOM 0 HE3 LYS A 1 21.434 10.576 -0.159 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 20.521 12.790 -0.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 21.380 12.282 -1.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 19.682 12.253 -1.898 1.00 0.00 H new ATOM 25 N LYS A 2 24.515 6.463 -5.280 1.00 0.00 N ATOM 26 CA LYS A 2 24.686 5.647 -6.477 1.00 0.00 C ATOM 27 C LYS A 2 25.215 4.267 -6.100 1.00 0.00 C ATOM 28 O LYS A 2 26.407 4.110 -5.839 1.00 0.00 O ATOM 29 CB LYS A 2 25.687 6.320 -7.419 1.00 0.00 C ATOM 30 CG LYS A 2 25.180 7.714 -7.795 1.00 0.00 C ATOM 31 CD LYS A 2 26.171 8.375 -8.756 1.00 0.00 C ATOM 32 CE LYS A 2 25.696 9.790 -9.090 1.00 0.00 C ATOM 33 NZ LYS A 2 26.420 10.284 -10.295 1.00 0.00 N ATOM 0 H LYS A 2 25.360 6.947 -4.976 1.00 0.00 H new ATOM 0 HA LYS A 2 23.720 5.544 -6.971 1.00 0.00 H new ATOM 0 HB2 LYS A 2 26.662 6.394 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 2 25.820 5.716 -8.317 1.00 0.00 H new ATOM 0 HG2 LYS A 2 24.198 7.642 -8.262 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.063 8.324 -6.899 1.00 0.00 H new ATOM 0 HD2 LYS A 2 27.162 8.410 -8.304 1.00 0.00 H new ATOM 0 HD3 LYS A 2 26.257 7.785 -9.668 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.621 9.791 -9.272 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.877 10.455 -8.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 26.098 11.246 -10.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 27.442 10.297 -10.105 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 26.226 9.654 -11.099 1.00 0.00 H new ATOM 47 N CYS A 3 24.369 3.249 -6.229 1.00 0.00 N ATOM 48 CA CYS A 3 24.782 1.872 -5.979 1.00 0.00 C ATOM 49 C CYS A 3 24.214 0.936 -7.040 1.00 0.00 C ATOM 50 O CYS A 3 23.940 1.365 -8.160 1.00 0.00 O ATOM 51 CB CYS A 3 24.302 1.397 -4.606 1.00 0.00 C ATOM 52 SG CYS A 3 25.018 2.435 -3.305 1.00 0.00 S ATOM 0 H CYS A 3 23.393 3.352 -6.505 1.00 0.00 H new ATOM 0 HA CYS A 3 25.871 1.850 -6.013 1.00 0.00 H new ATOM 0 HB2 CYS A 3 23.214 1.438 -4.558 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.589 0.357 -4.451 1.00 0.00 H new ATOM 57 N TRP A 4 24.440 -0.353 -6.807 1.00 0.00 N ATOM 58 CA TRP A 4 24.227 -1.381 -7.820 1.00 0.00 C ATOM 59 C TRP A 4 23.260 -2.428 -7.269 1.00 0.00 C ATOM 60 O TRP A 4 23.037 -2.495 -6.061 1.00 0.00 O ATOM 61 CB TRP A 4 25.569 -2.028 -8.194 1.00 0.00 C ATOM 62 CG TRP A 4 26.718 -1.136 -7.840 1.00 0.00 C ATOM 63 CD1 TRP A 4 27.077 -0.821 -6.573 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.881 -0.822 -8.663 1.00 0.00 C ATOM 65 NE1 TRP A 4 28.295 -0.173 -6.592 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.852 -0.181 -7.853 1.00 0.00 C ATOM 67 CE3 TRP A 4 28.192 -1.040 -10.014 1.00 0.00 C ATOM 68 CZ2 TRP A 4 30.053 0.302 -8.383 1.00 0.00 C ATOM 69 CZ3 TRP A 4 29.376 -0.527 -10.561 1.00 0.00 C ATOM 70 CH2 TRP A 4 30.299 0.152 -9.753 1.00 0.00 C ATOM 0 H TRP A 4 24.775 -0.714 -5.914 1.00 0.00 H new ATOM 0 HA TRP A 4 23.799 -0.936 -8.718 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.673 -2.982 -7.676 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.587 -2.242 -9.263 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.501 -1.042 -5.687 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.729 0.258 -5.776 1.00 0.00 H new ATOM 0 HE3 TRP A 4 27.515 -1.607 -10.636 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 30.779 0.783 -7.745 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 29.579 -0.656 -11.614 1.00 0.00 H new ATOM 0 HH2 TRP A 4 31.200 0.559 -10.188 1.00 0.00 H new ATOM 81 N ASN A 5 22.709 -3.256 -8.151 1.00 0.00 N ATOM 82 CA ASN A 5 21.827 -4.340 -7.729 1.00 0.00 C ATOM 83 C ASN A 5 20.855 -3.875 -6.649 1.00 0.00 C ATOM 84 O ASN A 5 20.580 -4.606 -5.698 1.00 0.00 O ATOM 85 CB ASN A 5 22.634 -5.525 -7.194 1.00 0.00 C ATOM 86 CG ASN A 5 23.674 -5.967 -8.218 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.733 -7.145 -8.572 1.00 0.00 O ATOM 88 ND2 ASN A 5 24.456 -5.079 -8.767 1.00 0.00 N ATOM 0 H ASN A 5 22.856 -3.198 -9.159 1.00 0.00 H new ATOM 0 HA ASN A 5 21.262 -4.652 -8.607 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.127 -5.246 -6.263 1.00 0.00 H new ATOM 0 HB3 ASN A 5 21.965 -6.354 -6.965 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.118 -5.360 -9.491 1.00 0.00 H new ATOM 0 HD22 ASN A 5 24.406 -4.104 -8.473 1.00 0.00 H new ATOM 95 N GLY A 6 20.427 -2.621 -6.742 1.00 0.00 N ATOM 96 CA GLY A 6 19.450 -2.097 -5.798 1.00 0.00 C ATOM 97 C GLY A 6 20.055 -1.968 -4.404 1.00 0.00 C ATOM 98 O GLY A 6 19.430 -1.413 -3.500 1.00 0.00 O ATOM 0 H GLY A 6 20.737 -1.957 -7.452 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.097 -1.123 -6.137 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.583 -2.756 -5.763 1.00 0.00 H new ATOM 102 N GLY A 7 21.332 -2.315 -4.286 1.00 0.00 N ATOM 103 CA GLY A 7 22.036 -2.141 -3.022 1.00 0.00 C ATOM 104 C GLY A 7 21.982 -0.683 -2.577 1.00 0.00 C ATOM 105 O GLY A 7 21.534 0.176 -3.337 1.00 0.00 O ATOM 0 H GLY A 7 21.894 -2.713 -5.039 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.588 -2.777 -2.259 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.074 -2.456 -3.131 1.00 0.00 H new ATOM 109 N ARG A 8 22.366 -0.411 -1.331 1.00 0.00 N ATOM 110 CA ARG A 8 22.295 0.943 -0.785 1.00 0.00 C ATOM 111 C ARG A 8 23.666 1.407 -0.305 1.00 0.00 C ATOM 112 O ARG A 8 24.647 0.673 -0.424 1.00 0.00 O ATOM 113 CB ARG A 8 21.319 0.992 0.394 1.00 0.00 C ATOM 114 CG ARG A 8 21.674 -0.072 1.442 1.00 0.00 C ATOM 115 CD ARG A 8 21.387 0.458 2.850 1.00 0.00 C ATOM 116 NE ARG A 8 19.968 0.755 3.009 1.00 0.00 N ATOM 117 CZ ARG A 8 19.529 1.473 4.038 1.00 0.00 C ATOM 118 NH1 ARG A 8 18.272 1.416 4.386 1.00 0.00 N ATOM 119 NH2 ARG A 8 20.352 2.247 4.691 1.00 0.00 N ATOM 0 H ARG A 8 22.729 -1.109 -0.682 1.00 0.00 H new ATOM 0 HA ARG A 8 21.948 1.603 -1.580 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.344 1.981 0.851 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.302 0.831 0.037 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.096 -0.978 1.262 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.726 -0.343 1.355 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.695 -0.279 3.591 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.975 1.358 3.032 1.00 0.00 H new ATOM 0 HE ARG A 8 19.302 0.406 2.320 1.00 0.00 H new ATOM 0 HH11 ARG A 8 17.626 0.820 3.868 1.00 0.00 H new ATOM 0 HH12 ARG A 8 17.936 1.967 5.176 1.00 0.00 H new ATOM 0 HH21 ARG A 8 21.332 2.301 4.412 1.00 0.00 H new ATOM 0 HH22 ARG A 8 20.016 2.798 5.481 1.00 0.00 H new ATOM 133 N CYS A 9 23.730 2.631 0.216 1.00 0.00 N ATOM 134 CA CYS A 9 24.957 3.165 0.807 1.00 0.00 C ATOM 135 C CYS A 9 24.817 3.258 2.325 1.00 0.00 C ATOM 136 O CYS A 9 23.934 3.950 2.832 1.00 0.00 O ATOM 137 CB CYS A 9 25.272 4.543 0.213 1.00 0.00 C ATOM 138 SG CYS A 9 26.225 4.362 -1.317 1.00 0.00 S ATOM 0 H CYS A 9 22.940 3.276 0.241 1.00 0.00 H new ATOM 0 HA CYS A 9 25.781 2.489 0.577 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.345 5.081 0.011 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.835 5.137 0.933 1.00 0.00 H new ATOM 143 N ARG A 10 25.760 2.656 3.043 1.00 0.00 N ATOM 144 CA ARG A 10 25.829 2.799 4.495 1.00 0.00 C ATOM 145 C ARG A 10 27.224 2.419 4.986 1.00 0.00 C ATOM 146 O ARG A 10 27.918 1.635 4.339 1.00 0.00 O ATOM 147 CB ARG A 10 24.747 1.925 5.147 1.00 0.00 C ATOM 148 CG ARG A 10 23.689 2.787 5.846 1.00 0.00 C ATOM 149 CD ARG A 10 24.264 3.470 7.093 1.00 0.00 C ATOM 150 NE ARG A 10 24.365 4.909 6.872 1.00 0.00 N ATOM 151 CZ ARG A 10 23.358 5.728 7.158 1.00 0.00 C ATOM 152 NH1 ARG A 10 23.175 6.132 8.386 1.00 0.00 N ATOM 153 NH2 ARG A 10 22.548 6.125 6.215 1.00 0.00 N ATOM 0 H ARG A 10 26.488 2.064 2.643 1.00 0.00 H new ATOM 0 HA ARG A 10 25.646 3.836 4.776 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.271 1.304 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.206 1.250 5.870 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.317 3.542 5.154 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.839 2.166 6.128 1.00 0.00 H new ATOM 0 HD2 ARG A 10 23.626 3.270 7.954 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.247 3.059 7.322 1.00 0.00 H new ATOM 0 HE ARG A 10 25.228 5.295 6.489 1.00 0.00 H new ATOM 0 HH11 ARG A 10 23.805 5.819 9.125 1.00 0.00 H new ATOM 0 HH12 ARG A 10 22.402 6.761 8.606 1.00 0.00 H new ATOM 0 HH21 ARG A 10 22.687 5.807 5.256 1.00 0.00 H new ATOM 0 HH22 ARG A 10 21.776 6.754 6.437 1.00 0.00 H new ATOM 167 N LYS A 11 27.580 2.861 6.189 1.00 0.00 N ATOM 168 CA LYS A 11 28.858 2.476 6.778 1.00 0.00 C ATOM 169 C LYS A 11 28.917 0.963 6.950 1.00 0.00 C ATOM 170 O LYS A 11 29.992 0.371 7.058 1.00 0.00 O ATOM 171 CB LYS A 11 29.041 3.138 8.147 1.00 0.00 C ATOM 172 CG LYS A 11 29.172 4.652 7.979 1.00 0.00 C ATOM 173 CD LYS A 11 29.457 5.290 9.340 1.00 0.00 C ATOM 174 CE LYS A 11 29.564 6.808 9.179 1.00 0.00 C ATOM 175 NZ LYS A 11 30.608 7.124 8.163 1.00 0.00 N ATOM 0 H LYS A 11 27.010 3.478 6.768 1.00 0.00 H new ATOM 0 HA LYS A 11 29.654 2.805 6.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.191 2.907 8.789 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.929 2.740 8.638 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.976 4.884 7.281 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.255 5.063 7.557 1.00 0.00 H new ATOM 0 HD2 LYS A 11 28.661 5.043 10.043 1.00 0.00 H new ATOM 0 HD3 LYS A 11 30.383 4.891 9.754 1.00 0.00 H new ATOM 0 HE2 LYS A 11 28.604 7.221 8.871 1.00 0.00 H new ATOM 0 HE3 LYS A 11 29.818 7.269 10.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.159 7.949 8.476 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 31.241 6.307 8.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 30.153 7.337 7.252 1.00 0.00 H new ATOM 189 N LYS A 12 27.743 0.347 6.872 1.00 0.00 N ATOM 190 CA LYS A 12 27.605 -1.101 6.957 1.00 0.00 C ATOM 191 C LYS A 12 26.629 -1.568 5.884 1.00 0.00 C ATOM 192 O LYS A 12 26.172 -0.764 5.071 1.00 0.00 O ATOM 193 CB LYS A 12 27.072 -1.494 8.336 1.00 0.00 C ATOM 194 CG LYS A 12 25.960 -0.521 8.735 1.00 0.00 C ATOM 195 CD LYS A 12 25.271 -1.017 10.008 1.00 0.00 C ATOM 196 CE LYS A 12 24.203 -0.012 10.443 1.00 0.00 C ATOM 197 NZ LYS A 12 23.229 -0.684 11.349 1.00 0.00 N ATOM 0 H LYS A 12 26.858 0.839 6.748 1.00 0.00 H new ATOM 0 HA LYS A 12 28.578 -1.569 6.806 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.690 -2.515 8.315 1.00 0.00 H new ATOM 0 HB3 LYS A 12 27.876 -1.469 9.072 1.00 0.00 H new ATOM 0 HG2 LYS A 12 26.375 0.473 8.899 1.00 0.00 H new ATOM 0 HG3 LYS A 12 25.233 -0.434 7.927 1.00 0.00 H new ATOM 0 HD2 LYS A 12 24.816 -1.991 9.830 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.005 -1.148 10.803 1.00 0.00 H new ATOM 0 HE2 LYS A 12 24.668 0.832 10.953 1.00 0.00 H new ATOM 0 HE3 LYS A 12 23.688 0.388 9.570 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 22.502 -0.001 11.645 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 22.777 -1.475 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 23.727 -1.045 12.187 1.00 0.00 H new ATOM 211 N CYS A 13 26.503 -2.883 5.738 1.00 0.00 N ATOM 212 CA CYS A 13 25.703 -3.455 4.661 1.00 0.00 C ATOM 213 C CYS A 13 24.402 -4.028 5.205 1.00 0.00 C ATOM 214 O CYS A 13 24.391 -4.807 6.158 1.00 0.00 O ATOM 215 CB CYS A 13 26.519 -4.546 3.967 1.00 0.00 C ATOM 216 SG CYS A 13 28.080 -3.813 3.420 1.00 0.00 S ATOM 0 H CYS A 13 26.943 -3.571 6.350 1.00 0.00 H new ATOM 0 HA CYS A 13 25.449 -2.675 3.943 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.706 -5.375 4.650 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.969 -4.951 3.117 1.00 0.00 H new ATOM 221 N LYS A 14 23.306 -3.551 4.625 1.00 0.00 N ATOM 222 CA LYS A 14 21.973 -3.922 5.079 1.00 0.00 C ATOM 223 C LYS A 14 21.878 -5.434 5.259 1.00 0.00 C ATOM 224 O LYS A 14 22.839 -6.157 5.003 1.00 0.00 O ATOM 225 CB LYS A 14 20.946 -3.395 4.071 1.00 0.00 C ATOM 226 CG LYS A 14 19.597 -4.107 4.218 1.00 0.00 C ATOM 227 CD LYS A 14 18.532 -3.419 3.356 1.00 0.00 C ATOM 228 CE LYS A 14 18.601 -3.903 1.903 1.00 0.00 C ATOM 229 NZ LYS A 14 18.195 -2.795 0.994 1.00 0.00 N ATOM 0 H LYS A 14 23.316 -2.904 3.836 1.00 0.00 H new ATOM 0 HA LYS A 14 21.764 -3.474 6.051 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.810 -2.323 4.215 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.324 -3.535 3.058 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.696 -5.151 3.921 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.287 -4.101 5.263 1.00 0.00 H new ATOM 0 HD2 LYS A 14 17.542 -3.623 3.764 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.674 -2.339 3.390 1.00 0.00 H new ATOM 0 HE2 LYS A 14 19.613 -4.232 1.665 1.00 0.00 H new ATOM 0 HE3 LYS A 14 17.945 -4.762 1.763 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 18.241 -3.121 0.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.222 -2.502 1.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 18.838 -1.988 1.122 1.00 0.00 H new ATOM 243 N GLU A 15 20.801 -5.875 5.900 1.00 0.00 N ATOM 244 CA GLU A 15 20.572 -7.297 6.132 1.00 0.00 C ATOM 245 C GLU A 15 21.181 -8.167 5.036 1.00 0.00 C ATOM 246 O GLU A 15 20.743 -8.137 3.886 1.00 0.00 O ATOM 247 CB GLU A 15 19.068 -7.565 6.209 1.00 0.00 C ATOM 248 CG GLU A 15 18.507 -6.929 7.482 1.00 0.00 C ATOM 249 CD GLU A 15 17.001 -7.159 7.558 1.00 0.00 C ATOM 250 OE1 GLU A 15 16.532 -7.528 8.621 1.00 0.00 O ATOM 251 OE2 GLU A 15 16.343 -6.972 6.548 1.00 0.00 O ATOM 0 H GLU A 15 20.071 -5.266 6.269 1.00 0.00 H new ATOM 0 HA GLU A 15 21.058 -7.558 7.072 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.568 -7.154 5.332 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.878 -8.638 6.210 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.994 -7.358 8.358 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.721 -5.860 7.490 1.00 0.00 H new ATOM 258 N ASN A 16 22.263 -8.852 5.386 1.00 0.00 N ATOM 259 CA ASN A 16 22.881 -9.821 4.488 1.00 0.00 C ATOM 260 C ASN A 16 23.298 -9.162 3.178 1.00 0.00 C ATOM 261 O ASN A 16 22.878 -9.596 2.105 1.00 0.00 O ATOM 262 CB ASN A 16 21.902 -10.954 4.173 1.00 0.00 C ATOM 263 CG ASN A 16 21.276 -11.481 5.459 1.00 0.00 C ATOM 264 OD1 ASN A 16 21.258 -10.784 6.473 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.840 -12.710 5.502 1.00 0.00 N ATOM 0 H ASN A 16 22.732 -8.754 6.287 1.00 0.00 H new ATOM 0 HA ASN A 16 23.763 -10.219 4.990 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.123 -10.595 3.501 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.422 -11.760 3.656 1.00 0.00 H new ATOM 0 HD21 ASN A 16 20.484 -13.094 6.377 1.00 0.00 H new ATOM 0 HD22 ASN A 16 20.856 -13.286 4.661 1.00 0.00 H new ATOM 272 N GLU A 17 24.035 -8.059 3.272 1.00 0.00 N ATOM 273 CA GLU A 17 24.453 -7.318 2.085 1.00 0.00 C ATOM 274 C GLU A 17 25.974 -7.237 1.991 1.00 0.00 C ATOM 275 O GLU A 17 26.667 -7.168 3.006 1.00 0.00 O ATOM 276 CB GLU A 17 23.848 -5.909 2.121 1.00 0.00 C ATOM 277 CG GLU A 17 22.349 -5.914 1.802 1.00 0.00 C ATOM 278 CD GLU A 17 21.992 -4.805 0.815 1.00 0.00 C ATOM 279 OE1 GLU A 17 21.092 -5.011 0.018 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.616 -3.758 0.883 1.00 0.00 O ATOM 0 H GLU A 17 24.354 -7.659 4.154 1.00 0.00 H new ATOM 0 HA GLU A 17 24.093 -7.847 1.203 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.006 -5.473 3.107 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.368 -5.274 1.404 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.066 -6.881 1.385 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.778 -5.784 2.721 1.00 0.00 H new ATOM 287 N LYS A 18 26.484 -7.412 0.774 1.00 0.00 N ATOM 288 CA LYS A 18 27.924 -7.455 0.539 1.00 0.00 C ATOM 289 C LYS A 18 28.463 -6.030 0.401 1.00 0.00 C ATOM 290 O LYS A 18 28.047 -5.328 -0.520 1.00 0.00 O ATOM 291 CB LYS A 18 28.204 -8.272 -0.731 1.00 0.00 C ATOM 292 CG LYS A 18 29.232 -9.380 -0.472 1.00 0.00 C ATOM 293 CD LYS A 18 28.571 -10.569 0.239 1.00 0.00 C ATOM 294 CE LYS A 18 27.984 -11.546 -0.784 1.00 0.00 C ATOM 295 NZ LYS A 18 29.080 -12.084 -1.638 1.00 0.00 N ATOM 0 H LYS A 18 25.918 -7.527 -0.067 1.00 0.00 H new ATOM 0 HA LYS A 18 28.427 -7.932 1.380 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.275 -8.713 -1.093 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.570 -7.611 -1.517 1.00 0.00 H new ATOM 0 HG2 LYS A 18 29.667 -9.709 -1.416 1.00 0.00 H new ATOM 0 HG3 LYS A 18 30.048 -8.992 0.137 1.00 0.00 H new ATOM 0 HD2 LYS A 18 29.304 -11.082 0.861 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.784 -10.212 0.903 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.472 -12.361 -0.273 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.241 -11.041 -1.401 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 28.814 -13.025 -1.993 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 29.240 -11.443 -2.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.952 -12.160 -1.077 1.00 0.00 H new ATOM 309 N PRO A 19 29.474 -5.636 1.133 1.00 0.00 N ATOM 310 CA PRO A 19 30.104 -4.303 0.920 1.00 0.00 C ATOM 311 C PRO A 19 30.600 -4.141 -0.514 1.00 0.00 C ATOM 312 O PRO A 19 31.516 -4.853 -0.926 1.00 0.00 O ATOM 313 CB PRO A 19 31.259 -4.240 1.927 1.00 0.00 C ATOM 314 CG PRO A 19 31.025 -5.330 2.925 1.00 0.00 C ATOM 315 CD PRO A 19 30.040 -6.327 2.305 1.00 0.00 C ATOM 0 HA PRO A 19 29.393 -3.491 1.072 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.217 -4.375 1.425 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.291 -3.267 2.418 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.963 -5.825 3.177 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.622 -4.920 3.851 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.544 -7.248 2.013 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.260 -6.602 3.015 1.00 0.00 H new ATOM 323 N ILE A 20 30.217 -3.039 -1.155 1.00 0.00 N ATOM 324 CA ILE A 20 30.754 -2.727 -2.477 1.00 0.00 C ATOM 325 C ILE A 20 30.840 -1.223 -2.729 1.00 0.00 C ATOM 326 O ILE A 20 30.541 -0.418 -1.846 1.00 0.00 O ATOM 327 CB ILE A 20 29.950 -3.492 -3.545 1.00 0.00 C ATOM 328 CG1 ILE A 20 30.862 -3.895 -4.707 1.00 0.00 C ATOM 329 CG2 ILE A 20 28.752 -2.731 -4.140 1.00 0.00 C ATOM 330 CD1 ILE A 20 30.215 -5.032 -5.503 1.00 0.00 C ATOM 0 H ILE A 20 29.550 -2.359 -0.790 1.00 0.00 H new ATOM 0 HA ILE A 20 31.788 -3.067 -2.535 1.00 0.00 H new ATOM 0 HB ILE A 20 29.549 -4.353 -3.010 1.00 0.00 H new ATOM 0 HG12 ILE A 20 31.038 -3.038 -5.357 1.00 0.00 H new ATOM 0 HG13 ILE A 20 31.833 -4.212 -4.326 1.00 0.00 H new ATOM 0 HG21 ILE A 20 28.255 -3.357 -4.881 1.00 0.00 H new ATOM 0 HG22 ILE A 20 28.049 -2.481 -3.346 1.00 0.00 H new ATOM 0 HG23 ILE A 20 29.103 -1.815 -4.616 1.00 0.00 H new ATOM 0 HD11 ILE A 20 30.868 -5.315 -6.329 1.00 0.00 H new ATOM 0 HD12 ILE A 20 30.061 -5.892 -4.850 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.255 -4.700 -5.897 1.00 0.00 H new ATOM 342 N GLY A 21 31.282 -0.868 -3.931 1.00 0.00 N ATOM 343 CA GLY A 21 31.351 0.521 -4.373 1.00 0.00 C ATOM 344 C GLY A 21 31.682 1.482 -3.236 1.00 0.00 C ATOM 345 O GLY A 21 32.242 1.079 -2.217 1.00 0.00 O ATOM 0 H GLY A 21 31.604 -1.538 -4.629 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.107 0.613 -5.153 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.397 0.805 -4.818 1.00 0.00 H new ATOM 349 N TYR A 22 31.606 2.775 -3.537 1.00 0.00 N ATOM 350 CA TYR A 22 32.046 3.812 -2.607 1.00 0.00 C ATOM 351 C TYR A 22 31.018 4.940 -2.568 1.00 0.00 C ATOM 352 O TYR A 22 30.208 5.082 -3.484 1.00 0.00 O ATOM 353 CB TYR A 22 33.420 4.331 -3.052 1.00 0.00 C ATOM 354 CG TYR A 22 34.351 4.505 -1.873 1.00 0.00 C ATOM 355 CD1 TYR A 22 35.086 3.411 -1.403 1.00 0.00 C ATOM 356 CD2 TYR A 22 34.442 5.740 -1.220 1.00 0.00 C ATOM 357 CE1 TYR A 22 35.938 3.559 -0.302 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.292 5.888 -0.118 1.00 0.00 C ATOM 359 CZ TYR A 22 36.036 4.797 0.345 1.00 0.00 C ATOM 360 OH TYR A 22 36.871 4.941 1.434 1.00 0.00 O ATOM 0 H TYR A 22 31.243 3.131 -4.421 1.00 0.00 H new ATOM 0 HA TYR A 22 32.135 3.402 -1.601 1.00 0.00 H new ATOM 0 HB2 TYR A 22 33.860 3.635 -3.766 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.301 5.284 -3.568 1.00 0.00 H new ATOM 0 HD1 TYR A 22 34.996 2.451 -1.890 1.00 0.00 H new ATOM 0 HD2 TYR A 22 33.856 6.579 -1.567 1.00 0.00 H new ATOM 0 HE1 TYR A 22 36.519 2.719 0.048 1.00 0.00 H new ATOM 0 HE2 TYR A 22 35.374 6.845 0.376 1.00 0.00 H new ATOM 0 HH TYR A 22 36.822 5.863 1.764 1.00 0.00 H new ATOM 370 N CYS A 23 30.967 5.647 -1.443 1.00 0.00 N ATOM 371 CA CYS A 23 29.919 6.630 -1.184 1.00 0.00 C ATOM 372 C CYS A 23 30.477 7.716 -0.264 1.00 0.00 C ATOM 373 O CYS A 23 31.681 7.768 -0.014 1.00 0.00 O ATOM 374 CB CYS A 23 28.692 5.949 -0.561 1.00 0.00 C ATOM 375 SG CYS A 23 27.210 6.108 -1.589 1.00 0.00 S ATOM 0 H CYS A 23 31.647 5.556 -0.688 1.00 0.00 H new ATOM 0 HA CYS A 23 29.599 7.088 -2.120 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.909 4.892 -0.403 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.498 6.384 0.419 1.00 0.00 H new ATOM 380 N ARG A 24 29.613 8.642 0.141 1.00 0.00 N ATOM 381 CA ARG A 24 30.029 9.803 0.921 1.00 0.00 C ATOM 382 C ARG A 24 30.279 9.420 2.378 1.00 0.00 C ATOM 383 O ARG A 24 30.163 8.246 2.726 1.00 0.00 O ATOM 384 CB ARG A 24 28.932 10.873 0.866 1.00 0.00 C ATOM 385 CG ARG A 24 29.043 11.703 -0.416 1.00 0.00 C ATOM 386 CD ARG A 24 29.000 10.806 -1.656 1.00 0.00 C ATOM 387 NE ARG A 24 30.348 10.366 -1.999 1.00 0.00 N ATOM 388 CZ ARG A 24 31.109 11.056 -2.845 1.00 0.00 C ATOM 389 NH1 ARG A 24 31.865 12.022 -2.400 1.00 0.00 N ATOM 390 NH2 ARG A 24 30.990 10.865 -4.130 1.00 0.00 N ATOM 0 H ARG A 24 28.613 8.610 -0.060 1.00 0.00 H new ATOM 0 HA ARG A 24 30.956 10.189 0.496 1.00 0.00 H new ATOM 0 HB2 ARG A 24 27.952 10.398 0.913 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.011 11.526 1.735 1.00 0.00 H new ATOM 0 HG2 ARG A 24 28.228 12.426 -0.457 1.00 0.00 H new ATOM 0 HG3 ARG A 24 29.973 12.271 -0.406 1.00 0.00 H new ATOM 0 HD2 ARG A 24 28.363 9.942 -1.468 1.00 0.00 H new ATOM 0 HD3 ARG A 24 28.562 11.349 -2.493 1.00 0.00 H new ATOM 0 HE ARG A 24 30.715 9.511 -1.581 1.00 0.00 H new ATOM 0 HH11 ARG A 24 31.872 12.247 -1.405 1.00 0.00 H new ATOM 0 HH12 ARG A 24 32.449 12.552 -3.047 1.00 0.00 H new ATOM 0 HH21 ARG A 24 30.315 10.188 -4.485 1.00 0.00 H new ATOM 0 HH22 ARG A 24 31.572 11.393 -4.780 1.00 0.00 H new ATOM 404 N ASN A 25 30.997 10.310 3.058 1.00 0.00 N ATOM 405 CA ASN A 25 31.258 10.198 4.491 1.00 0.00 C ATOM 406 C ASN A 25 31.366 8.745 4.942 1.00 0.00 C ATOM 407 O ASN A 25 30.892 8.403 6.026 1.00 0.00 O ATOM 408 CB ASN A 25 30.158 10.903 5.290 1.00 0.00 C ATOM 409 CG ASN A 25 29.647 12.123 4.530 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.395 13.073 4.298 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.378 12.203 4.239 1.00 0.00 N ATOM 0 H ASN A 25 31.417 11.134 2.628 1.00 0.00 H new ATOM 0 HA ASN A 25 32.217 10.680 4.681 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.336 10.212 5.477 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.545 11.208 6.262 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.004 13.054 3.818 1.00 0.00 H new ATOM 0 HD22 ASN A 25 27.760 11.415 4.432 1.00 0.00 H new ATOM 418 N GLY A 26 32.256 8.000 4.294 1.00 0.00 N ATOM 419 CA GLY A 26 32.583 6.654 4.747 1.00 0.00 C ATOM 420 C GLY A 26 31.640 5.624 4.132 1.00 0.00 C ATOM 421 O GLY A 26 31.976 4.444 4.044 1.00 0.00 O ATOM 0 H GLY A 26 32.760 8.303 3.460 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.612 6.416 4.478 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.519 6.607 5.834 1.00 0.00 H new ATOM 425 N LYS A 27 30.418 6.044 3.826 1.00 0.00 N ATOM 426 CA LYS A 27 29.400 5.087 3.412 1.00 0.00 C ATOM 427 C LYS A 27 29.734 4.553 2.022 1.00 0.00 C ATOM 428 O LYS A 27 30.445 5.221 1.272 1.00 0.00 O ATOM 429 CB LYS A 27 28.013 5.738 3.433 1.00 0.00 C ATOM 430 CG LYS A 27 27.950 6.808 4.527 1.00 0.00 C ATOM 431 CD LYS A 27 26.495 7.072 4.922 1.00 0.00 C ATOM 432 CE LYS A 27 26.470 8.020 6.120 1.00 0.00 C ATOM 433 NZ LYS A 27 25.064 8.212 6.574 1.00 0.00 N ATOM 0 H LYS A 27 30.113 7.017 3.855 1.00 0.00 H new ATOM 0 HA LYS A 27 29.386 4.252 4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.798 6.186 2.463 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.250 4.980 3.610 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.518 6.482 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.411 7.730 4.172 1.00 0.00 H new ATOM 0 HD2 LYS A 27 25.951 7.509 4.085 1.00 0.00 H new ATOM 0 HD3 LYS A 27 25.997 6.135 5.172 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.073 7.613 6.932 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.909 8.979 5.847 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 24.856 9.229 6.638 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.416 7.768 5.893 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 24.938 7.773 7.508 1.00 0.00 H new ATOM 447 N LYS A 28 29.592 3.240 1.870 1.00 0.00 N ATOM 448 CA LYS A 28 29.958 2.551 0.636 1.00 0.00 C ATOM 449 C LYS A 28 28.695 1.930 0.052 1.00 0.00 C ATOM 450 O LYS A 28 27.825 1.540 0.829 1.00 0.00 O ATOM 451 CB LYS A 28 31.019 1.482 0.924 1.00 0.00 C ATOM 452 CG LYS A 28 31.862 1.927 2.124 1.00 0.00 C ATOM 453 CD LYS A 28 33.196 1.177 2.155 1.00 0.00 C ATOM 454 CE LYS A 28 34.027 1.603 3.372 1.00 0.00 C ATOM 455 NZ LYS A 28 35.432 1.851 2.940 1.00 0.00 N ATOM 0 H LYS A 28 29.222 2.625 2.595 1.00 0.00 H new ATOM 0 HA LYS A 28 30.386 3.250 -0.082 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.542 0.525 1.133 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.654 1.337 0.050 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.044 3.000 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.314 1.743 3.048 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.015 0.103 2.190 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.753 1.377 1.240 1.00 0.00 H new ATOM 0 HE2 LYS A 28 33.606 2.504 3.818 1.00 0.00 H new ATOM 0 HE3 LYS A 28 34.000 0.826 4.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 35.941 2.361 3.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 35.904 0.943 2.757 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.432 2.423 2.071 1.00 0.00 H new ATOM 469 N CYS A 29 28.774 1.431 -1.176 1.00 0.00 N ATOM 470 CA CYS A 29 27.603 0.783 -1.755 1.00 0.00 C ATOM 471 C CYS A 29 27.682 -0.696 -1.419 1.00 0.00 C ATOM 472 O CYS A 29 28.500 -1.424 -1.966 1.00 0.00 O ATOM 473 CB CYS A 29 27.581 0.902 -3.279 1.00 0.00 C ATOM 474 SG CYS A 29 26.989 2.550 -3.729 1.00 0.00 S ATOM 0 H CYS A 29 29.602 1.459 -1.771 1.00 0.00 H new ATOM 0 HA CYS A 29 26.710 1.262 -1.353 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.579 0.736 -3.685 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.932 0.138 -3.707 1.00 0.00 H new ATOM 479 N CYS A 30 26.837 -1.168 -0.518 1.00 0.00 N ATOM 480 CA CYS A 30 26.798 -2.609 -0.327 1.00 0.00 C ATOM 481 C CYS A 30 25.862 -3.233 -1.353 1.00 0.00 C ATOM 482 O CYS A 30 24.643 -3.102 -1.244 1.00 0.00 O ATOM 483 CB CYS A 30 26.323 -2.923 1.089 1.00 0.00 C ATOM 484 SG CYS A 30 27.472 -2.236 2.311 1.00 0.00 S ATOM 0 H CYS A 30 26.204 -0.616 0.061 1.00 0.00 H new ATOM 0 HA CYS A 30 27.796 -3.026 -0.463 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.327 -2.509 1.245 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.244 -4.002 1.222 1.00 0.00 H new ATOM 489 N VAL A 31 26.417 -4.137 -2.154 1.00 0.00 N ATOM 490 CA VAL A 31 25.619 -4.847 -3.146 1.00 0.00 C ATOM 491 C VAL A 31 25.031 -6.078 -2.469 1.00 0.00 C ATOM 492 O VAL A 31 25.751 -6.984 -2.046 1.00 0.00 O ATOM 493 CB VAL A 31 26.485 -5.210 -4.361 1.00 0.00 C ATOM 494 CG1 VAL A 31 26.199 -6.621 -4.888 1.00 0.00 C ATOM 495 CG2 VAL A 31 26.215 -4.227 -5.502 1.00 0.00 C ATOM 0 H VAL A 31 27.404 -4.393 -2.137 1.00 0.00 H new ATOM 0 HA VAL A 31 24.807 -4.223 -3.520 1.00 0.00 H new ATOM 0 HB VAL A 31 27.522 -5.164 -4.027 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.839 -6.825 -5.747 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.401 -7.350 -4.103 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.154 -6.692 -5.189 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.832 -4.489 -6.362 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.163 -4.275 -5.782 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.458 -3.216 -5.176 1.00 0.00 H new ATOM 505 N ASN A 32 23.705 -6.116 -2.459 1.00 0.00 N ATOM 506 CA ASN A 32 22.987 -7.155 -1.736 1.00 0.00 C ATOM 507 C ASN A 32 23.523 -8.524 -2.138 1.00 0.00 C ATOM 508 O ASN A 32 23.803 -8.688 -3.314 1.00 0.00 O ATOM 509 CB ASN A 32 21.492 -7.032 -2.047 1.00 0.00 C ATOM 510 CG ASN A 32 20.652 -7.493 -0.860 1.00 0.00 C ATOM 511 OD1 ASN A 32 19.656 -6.853 -0.524 1.00 0.00 O ATOM 512 ND2 ASN A 32 21.086 -8.468 -0.110 1.00 0.00 N ATOM 513 OXT ASN A 32 23.909 -9.261 -1.245 1.00 0.00 O ATOM 0 H ASN A 32 23.108 -5.443 -2.941 1.00 0.00 H new ATOM 0 HA ASN A 32 23.133 -7.039 -0.662 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.250 -5.997 -2.289 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.248 -7.630 -2.925 1.00 0.00 H new ATOM 0 HD21 ASN A 32 20.600 -8.701 0.756 1.00 0.00 H new ATOM 0 HD22 ASN A 32 21.912 -8.998 -0.389 1.00 0.00 H new TER 520 ASN A 32