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 Single : A 1 LYS N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 LYS NZ :NH3+ 164:sc=-0.00845 (180deg=-0.282) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 ASN : amide:sc= -2.93! K(o=-2.9!,f=-0.27) USER MOD Single : A 11 LYS NZ :NH3+ -103:sc= -0.443 (180deg=-1.58!) USER MOD Single : A 12 LYS NZ :NH3+ 162:sc= -0.0569 (180deg=-0.448) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 ASN : amide:sc= -0.079 X(o=-0.079,f=-0.022) USER MOD Single : A 18 LYS NZ :NH3+ -172:sc= 0.0179 (180deg=-0.0859) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.7 K(o=-0.7,f=-0.13) USER MOD Single : A 27 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.455) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 32 ASN : amide:sc= -1.17 K(o=-1.2,f=-3.9!) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.173 9.474 -8.546 1.00 0.00 N ATOM 2 CA LYS A 1 25.894 8.385 -7.830 1.00 0.00 C ATOM 3 C LYS A 1 24.895 7.629 -6.959 1.00 0.00 C ATOM 4 O LYS A 1 24.539 8.077 -5.870 1.00 0.00 O ATOM 5 CB LYS A 1 27.016 9.002 -6.984 1.00 0.00 C ATOM 6 CG LYS A 1 28.357 8.913 -7.717 1.00 0.00 C ATOM 7 CD LYS A 1 29.420 9.687 -6.935 1.00 0.00 C ATOM 8 CE LYS A 1 30.810 9.313 -7.455 1.00 0.00 C ATOM 9 NZ LYS A 1 30.887 9.578 -8.919 1.00 0.00 N ATOM 0 H1 LYS A 1 25.843 9.999 -9.144 1.00 0.00 H new ATOM 0 H2 LYS A 1 24.426 9.063 -9.141 1.00 0.00 H new ATOM 0 H3 LYS A 1 24.747 10.122 -7.853 1.00 0.00 H new ATOM 0 HA LYS A 1 26.342 7.684 -8.535 1.00 0.00 H new ATOM 0 HB2 LYS A 1 26.783 10.044 -6.767 1.00 0.00 H new ATOM 0 HB3 LYS A 1 27.084 8.484 -6.027 1.00 0.00 H new ATOM 0 HG2 LYS A 1 28.656 7.870 -7.824 1.00 0.00 H new ATOM 0 HG3 LYS A 1 28.261 9.322 -8.723 1.00 0.00 H new ATOM 0 HD2 LYS A 1 29.256 10.759 -7.042 1.00 0.00 H new ATOM 0 HD3 LYS A 1 29.344 9.457 -5.872 1.00 0.00 H new ATOM 0 HE2 LYS A 1 31.572 9.890 -6.931 1.00 0.00 H new ATOM 0 HE3 LYS A 1 31.013 8.261 -7.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 31.883 9.586 -9.218 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 30.377 8.832 -9.434 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 30.455 10.501 -9.128 1.00 0.00 H new ATOM 25 N LYS A 2 24.562 6.415 -7.387 1.00 0.00 N ATOM 26 CA LYS A 2 23.689 5.534 -6.618 1.00 0.00 C ATOM 27 C LYS A 2 24.256 4.119 -6.592 1.00 0.00 C ATOM 28 O LYS A 2 25.098 3.761 -7.415 1.00 0.00 O ATOM 29 CB LYS A 2 22.292 5.498 -7.239 1.00 0.00 C ATOM 30 CG LYS A 2 21.604 6.847 -7.023 1.00 0.00 C ATOM 31 CD LYS A 2 20.153 6.773 -7.506 1.00 0.00 C ATOM 32 CE LYS A 2 19.342 5.804 -6.639 1.00 0.00 C ATOM 33 NZ LYS A 2 17.918 6.239 -6.620 1.00 0.00 N ATOM 0 H LYS A 2 24.886 6.017 -8.268 1.00 0.00 H new ATOM 0 HA LYS A 2 23.626 5.920 -5.601 1.00 0.00 H new ATOM 0 HB2 LYS A 2 22.361 5.279 -8.305 1.00 0.00 H new ATOM 0 HB3 LYS A 2 21.702 4.700 -6.788 1.00 0.00 H new ATOM 0 HG2 LYS A 2 21.632 7.115 -5.967 1.00 0.00 H new ATOM 0 HG3 LYS A 2 22.138 7.628 -7.564 1.00 0.00 H new ATOM 0 HD2 LYS A 2 19.702 7.765 -7.471 1.00 0.00 H new ATOM 0 HD3 LYS A 2 20.127 6.447 -8.546 1.00 0.00 H new ATOM 0 HE2 LYS A 2 19.420 4.791 -7.034 1.00 0.00 H new ATOM 0 HE3 LYS A 2 19.742 5.782 -5.625 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 17.363 5.584 -6.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 17.853 7.199 -6.225 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 17.542 6.238 -7.590 1.00 0.00 H new ATOM 47 N CYS A 3 23.846 3.342 -5.596 1.00 0.00 N ATOM 48 CA CYS A 3 24.335 1.975 -5.476 1.00 0.00 C ATOM 49 C CYS A 3 23.747 1.091 -6.569 1.00 0.00 C ATOM 50 O CYS A 3 23.382 1.587 -7.636 1.00 0.00 O ATOM 51 CB CYS A 3 23.971 1.388 -4.111 1.00 0.00 C ATOM 52 SG CYS A 3 24.721 2.384 -2.797 1.00 0.00 S ATOM 0 H CYS A 3 23.188 3.629 -4.872 1.00 0.00 H new ATOM 0 HA CYS A 3 25.420 2.004 -5.581 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.888 1.367 -3.991 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.320 0.357 -4.043 1.00 0.00 H new ATOM 57 N TRP A 4 24.049 -0.198 -6.446 1.00 0.00 N ATOM 58 CA TRP A 4 23.860 -1.157 -7.530 1.00 0.00 C ATOM 59 C TRP A 4 22.979 -2.296 -7.022 1.00 0.00 C ATOM 60 O TRP A 4 22.892 -2.521 -5.815 1.00 0.00 O ATOM 61 CB TRP A 4 25.221 -1.692 -7.996 1.00 0.00 C ATOM 62 CG TRP A 4 26.326 -0.760 -7.610 1.00 0.00 C ATOM 63 CD1 TRP A 4 26.724 -0.545 -6.335 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.416 -0.270 -8.447 1.00 0.00 C ATOM 65 NE1 TRP A 4 27.911 0.159 -6.337 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.364 0.384 -7.620 1.00 0.00 C ATOM 67 CE3 TRP A 4 27.648 -0.281 -9.832 1.00 0.00 C ATOM 68 CZ2 TRP A 4 29.513 0.982 -8.145 1.00 0.00 C ATOM 69 CZ3 TRP A 4 28.762 0.376 -10.370 1.00 0.00 C ATOM 70 CH2 TRP A 4 29.677 1.029 -9.534 1.00 0.00 C ATOM 0 H TRP A 4 24.431 -0.607 -5.593 1.00 0.00 H new ATOM 0 HA TRP A 4 23.376 -0.675 -8.380 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.399 -2.674 -7.557 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.213 -1.823 -9.078 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.195 -0.873 -5.453 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.393 0.474 -5.495 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.963 -0.799 -10.487 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 30.262 1.401 -7.489 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 28.917 0.379 -11.439 1.00 0.00 H new ATOM 0 HH2 TRP A 4 30.509 1.569 -9.961 1.00 0.00 H new ATOM 81 N ASN A 5 22.385 -3.053 -7.938 1.00 0.00 N ATOM 82 CA ASN A 5 21.603 -4.224 -7.557 1.00 0.00 C ATOM 83 C ASN A 5 20.643 -3.887 -6.421 1.00 0.00 C ATOM 84 O ASN A 5 20.488 -4.666 -5.480 1.00 0.00 O ATOM 85 CB ASN A 5 22.521 -5.366 -7.114 1.00 0.00 C ATOM 86 CG ASN A 5 23.574 -5.637 -8.183 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.257 -5.677 -9.371 1.00 0.00 O ATOM 88 ND2 ASN A 5 24.800 -5.902 -7.822 1.00 0.00 N ATOM 0 H ASN A 5 22.429 -2.879 -8.942 1.00 0.00 H new ATOM 0 HA ASN A 5 21.031 -4.538 -8.430 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.006 -5.109 -6.172 1.00 0.00 H new ATOM 0 HB3 ASN A 5 21.934 -6.266 -6.935 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.498 -6.143 -8.526 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.060 -5.868 -6.836 1.00 0.00 H new ATOM 95 N GLY A 6 20.123 -2.665 -6.436 1.00 0.00 N ATOM 96 CA GLY A 6 19.155 -2.252 -5.428 1.00 0.00 C ATOM 97 C GLY A 6 19.809 -2.183 -4.051 1.00 0.00 C ATOM 98 O GLY A 6 19.128 -2.045 -3.036 1.00 0.00 O ATOM 0 H GLY A 6 20.352 -1.950 -7.127 1.00 0.00 H new ATOM 0 HA2 GLY A 6 18.743 -1.278 -5.690 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.322 -2.955 -5.406 1.00 0.00 H new ATOM 102 N GLY A 7 21.138 -2.173 -4.038 1.00 0.00 N ATOM 103 CA GLY A 7 21.881 -2.056 -2.789 1.00 0.00 C ATOM 104 C GLY A 7 21.720 -0.655 -2.208 1.00 0.00 C ATOM 105 O GLY A 7 21.128 0.213 -2.849 1.00 0.00 O ATOM 0 H GLY A 7 21.719 -2.244 -4.873 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.523 -2.797 -2.074 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.936 -2.266 -2.964 1.00 0.00 H new ATOM 109 N ARG A 8 22.301 -0.414 -1.035 1.00 0.00 N ATOM 110 CA ARG A 8 22.217 0.898 -0.398 1.00 0.00 C ATOM 111 C ARG A 8 23.597 1.385 0.035 1.00 0.00 C ATOM 112 O ARG A 8 24.551 0.608 0.062 1.00 0.00 O ATOM 113 CB ARG A 8 21.291 0.843 0.820 1.00 0.00 C ATOM 114 CG ARG A 8 21.743 -0.232 1.819 1.00 0.00 C ATOM 115 CD ARG A 8 21.429 0.215 3.251 1.00 0.00 C ATOM 116 NE ARG A 8 19.989 0.312 3.458 1.00 0.00 N ATOM 117 CZ ARG A 8 19.485 0.891 4.544 1.00 0.00 C ATOM 118 NH1 ARG A 8 18.742 1.958 4.431 1.00 0.00 N ATOM 119 NH2 ARG A 8 19.711 0.379 5.723 1.00 0.00 N ATOM 0 H ARG A 8 22.833 -1.107 -0.508 1.00 0.00 H new ATOM 0 HA ARG A 8 21.811 1.597 -1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.276 1.816 1.312 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.272 0.634 0.495 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.238 -1.174 1.605 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.813 -0.412 1.712 1.00 0.00 H new ATOM 0 HD2 ARG A 8 21.856 -0.494 3.960 1.00 0.00 H new ATOM 0 HD3 ARG A 8 21.895 1.181 3.446 1.00 0.00 H new ATOM 0 HE ARG A 8 19.356 -0.072 2.756 1.00 0.00 H new ATOM 0 HH11 ARG A 8 18.547 2.349 3.509 1.00 0.00 H new ATOM 0 HH12 ARG A 8 18.356 2.401 5.265 1.00 0.00 H new ATOM 0 HH21 ARG A 8 20.275 -0.466 5.812 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.324 0.824 6.555 1.00 0.00 H new ATOM 133 N CYS A 9 23.653 2.617 0.537 1.00 0.00 N ATOM 134 CA CYS A 9 24.882 3.169 1.101 1.00 0.00 C ATOM 135 C CYS A 9 24.763 3.225 2.622 1.00 0.00 C ATOM 136 O CYS A 9 23.924 3.950 3.157 1.00 0.00 O ATOM 137 CB CYS A 9 25.136 4.577 0.545 1.00 0.00 C ATOM 138 SG CYS A 9 26.025 4.489 -1.031 1.00 0.00 S ATOM 0 H CYS A 9 22.857 3.254 0.564 1.00 0.00 H new ATOM 0 HA CYS A 9 25.720 2.529 0.825 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.187 5.095 0.405 1.00 0.00 H new ATOM 0 HB3 CYS A 9 25.714 5.159 1.263 1.00 0.00 H new ATOM 143 N ARG A 10 25.734 2.625 3.303 1.00 0.00 N ATOM 144 CA ARG A 10 25.837 2.742 4.754 1.00 0.00 C ATOM 145 C ARG A 10 27.223 2.282 5.201 1.00 0.00 C ATOM 146 O ARG A 10 27.869 1.494 4.510 1.00 0.00 O ATOM 147 CB ARG A 10 24.725 1.917 5.420 1.00 0.00 C ATOM 148 CG ARG A 10 23.759 2.808 6.210 1.00 0.00 C ATOM 149 CD ARG A 10 24.425 3.242 7.519 1.00 0.00 C ATOM 150 NE ARG A 10 23.639 4.278 8.179 1.00 0.00 N ATOM 151 CZ ARG A 10 24.165 5.032 9.139 1.00 0.00 C ATOM 152 NH1 ARG A 10 25.452 5.243 9.174 1.00 0.00 N ATOM 153 NH2 ARG A 10 23.393 5.563 10.047 1.00 0.00 N ATOM 0 H ARG A 10 26.461 2.053 2.874 1.00 0.00 H new ATOM 0 HA ARG A 10 25.709 3.781 5.057 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.173 1.367 4.658 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.169 1.179 6.088 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.488 3.683 5.619 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.836 2.267 6.420 1.00 0.00 H new ATOM 0 HD2 ARG A 10 24.532 2.383 8.181 1.00 0.00 H new ATOM 0 HD3 ARG A 10 25.429 3.614 7.316 1.00 0.00 H new ATOM 0 HE ARG A 10 22.669 4.426 7.899 1.00 0.00 H new ATOM 0 HH11 ARG A 10 26.056 4.829 8.464 1.00 0.00 H new ATOM 0 HH12 ARG A 10 25.854 5.822 9.911 1.00 0.00 H new ATOM 0 HH21 ARG A 10 22.387 5.399 10.020 1.00 0.00 H new ATOM 0 HH22 ARG A 10 23.796 6.142 10.784 1.00 0.00 H new ATOM 167 N LYS A 11 27.658 2.722 6.379 1.00 0.00 N ATOM 168 CA LYS A 11 28.920 2.241 6.931 1.00 0.00 C ATOM 169 C LYS A 11 28.858 0.731 7.136 1.00 0.00 C ATOM 170 O LYS A 11 29.885 0.067 7.279 1.00 0.00 O ATOM 171 CB LYS A 11 29.222 2.913 8.273 1.00 0.00 C ATOM 172 CG LYS A 11 29.618 4.376 8.057 1.00 0.00 C ATOM 173 CD LYS A 11 30.214 4.939 9.351 1.00 0.00 C ATOM 174 CE LYS A 11 31.570 4.294 9.666 1.00 0.00 C ATOM 175 NZ LYS A 11 31.382 3.229 10.691 1.00 0.00 N ATOM 0 H LYS A 11 27.165 3.399 6.961 1.00 0.00 H new ATOM 0 HA LYS A 11 29.712 2.489 6.224 1.00 0.00 H new ATOM 0 HB2 LYS A 11 28.347 2.858 8.920 1.00 0.00 H new ATOM 0 HB3 LYS A 11 30.028 2.382 8.780 1.00 0.00 H new ATOM 0 HG2 LYS A 11 30.343 4.452 7.247 1.00 0.00 H new ATOM 0 HG3 LYS A 11 28.747 4.960 7.761 1.00 0.00 H new ATOM 0 HD2 LYS A 11 30.335 6.018 9.259 1.00 0.00 H new ATOM 0 HD3 LYS A 11 29.525 4.765 10.177 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.003 3.870 8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 11 32.268 5.047 10.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 31.699 3.579 11.618 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 30.376 2.971 10.743 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 31.940 2.392 10.428 1.00 0.00 H new ATOM 189 N LYS A 12 27.640 0.200 7.136 1.00 0.00 N ATOM 190 CA LYS A 12 27.414 -1.238 7.231 1.00 0.00 C ATOM 191 C LYS A 12 26.600 -1.705 6.031 1.00 0.00 C ATOM 192 O LYS A 12 26.177 -0.890 5.210 1.00 0.00 O ATOM 193 CB LYS A 12 26.646 -1.553 8.515 1.00 0.00 C ATOM 194 CG LYS A 12 27.531 -1.250 9.726 1.00 0.00 C ATOM 195 CD LYS A 12 26.741 -1.522 11.008 1.00 0.00 C ATOM 196 CE LYS A 12 27.655 -1.327 12.219 1.00 0.00 C ATOM 197 NZ LYS A 12 28.123 0.087 12.268 1.00 0.00 N ATOM 0 H LYS A 12 26.785 0.752 7.070 1.00 0.00 H new ATOM 0 HA LYS A 12 28.374 -1.753 7.245 1.00 0.00 H new ATOM 0 HB2 LYS A 12 25.733 -0.959 8.560 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.345 -2.601 8.524 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.428 -1.868 9.699 1.00 0.00 H new ATOM 0 HG3 LYS A 12 27.859 -0.211 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 12 25.886 -0.849 11.071 1.00 0.00 H new ATOM 0 HD3 LYS A 12 26.346 -2.538 10.996 1.00 0.00 H new ATOM 0 HE2 LYS A 12 27.120 -1.576 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.509 -2.002 12.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 28.479 0.302 13.221 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 28.886 0.225 11.574 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.331 0.723 12.043 1.00 0.00 H new ATOM 211 N CYS A 13 26.462 -3.018 5.879 1.00 0.00 N ATOM 212 CA CYS A 13 25.722 -3.579 4.753 1.00 0.00 C ATOM 213 C CYS A 13 24.400 -4.181 5.214 1.00 0.00 C ATOM 214 O CYS A 13 24.352 -4.986 6.145 1.00 0.00 O ATOM 215 CB CYS A 13 26.575 -4.643 4.060 1.00 0.00 C ATOM 216 SG CYS A 13 28.135 -3.886 3.545 1.00 0.00 S ATOM 0 H CYS A 13 26.851 -3.711 6.518 1.00 0.00 H new ATOM 0 HA CYS A 13 25.498 -2.778 4.049 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.764 -5.476 4.737 1.00 0.00 H new ATOM 0 HB3 CYS A 13 26.047 -5.047 3.196 1.00 0.00 H new ATOM 221 N LYS A 14 23.324 -3.712 4.591 1.00 0.00 N ATOM 222 CA LYS A 14 21.981 -4.137 4.965 1.00 0.00 C ATOM 223 C LYS A 14 21.922 -5.654 5.107 1.00 0.00 C ATOM 224 O LYS A 14 22.910 -6.342 4.854 1.00 0.00 O ATOM 225 CB LYS A 14 20.977 -3.627 3.927 1.00 0.00 C ATOM 226 CG LYS A 14 19.628 -4.334 4.071 1.00 0.00 C ATOM 227 CD LYS A 14 18.596 -3.628 3.190 1.00 0.00 C ATOM 228 CE LYS A 14 17.224 -4.271 3.404 1.00 0.00 C ATOM 229 NZ LYS A 14 16.186 -3.475 2.689 1.00 0.00 N ATOM 0 H LYS A 14 23.356 -3.038 3.826 1.00 0.00 H new ATOM 0 HA LYS A 14 21.719 -3.711 5.933 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.842 -2.552 4.045 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.371 -3.791 2.924 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.719 -5.380 3.779 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.306 -4.320 5.112 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.556 -2.567 3.436 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.885 -3.701 2.142 1.00 0.00 H new ATOM 0 HE2 LYS A 14 17.229 -5.297 3.035 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.994 -4.316 4.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 15.253 -3.911 2.834 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 16.176 -2.504 3.061 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 16.404 -3.454 1.672 1.00 0.00 H new ATOM 243 N GLU A 15 20.846 -6.127 5.729 1.00 0.00 N ATOM 244 CA GLU A 15 20.618 -7.554 5.937 1.00 0.00 C ATOM 245 C GLU A 15 21.381 -8.421 4.940 1.00 0.00 C ATOM 246 O GLU A 15 21.019 -8.503 3.766 1.00 0.00 O ATOM 247 CB GLU A 15 19.122 -7.849 5.809 1.00 0.00 C ATOM 248 CG GLU A 15 18.368 -7.172 6.955 1.00 0.00 C ATOM 249 CD GLU A 15 16.870 -7.416 6.801 1.00 0.00 C ATOM 250 OE1 GLU A 15 16.120 -6.898 7.612 1.00 0.00 O ATOM 251 OE2 GLU A 15 16.504 -8.178 5.923 1.00 0.00 O ATOM 0 H GLU A 15 20.107 -5.532 6.103 1.00 0.00 H new ATOM 0 HA GLU A 15 20.983 -7.799 6.935 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.750 -7.487 4.851 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.950 -8.925 5.832 1.00 0.00 H new ATOM 0 HG2 GLU A 15 18.713 -7.564 7.912 1.00 0.00 H new ATOM 0 HG3 GLU A 15 18.574 -6.102 6.956 1.00 0.00 H new ATOM 258 N ASN A 16 22.520 -8.940 5.386 1.00 0.00 N ATOM 259 CA ASN A 16 23.284 -9.890 4.587 1.00 0.00 C ATOM 260 C ASN A 16 23.694 -9.278 3.253 1.00 0.00 C ATOM 261 O ASN A 16 23.341 -9.808 2.199 1.00 0.00 O ATOM 262 CB ASN A 16 22.440 -11.133 4.301 1.00 0.00 C ATOM 263 CG ASN A 16 21.783 -11.627 5.585 1.00 0.00 C ATOM 264 OD1 ASN A 16 20.597 -11.957 5.588 1.00 0.00 O ATOM 265 ND2 ASN A 16 22.486 -11.694 6.682 1.00 0.00 N ATOM 0 H ASN A 16 22.933 -8.720 6.292 1.00 0.00 H new ATOM 0 HA ASN A 16 24.175 -10.156 5.155 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.676 -10.901 3.559 1.00 0.00 H new ATOM 0 HB3 ASN A 16 23.067 -11.918 3.879 1.00 0.00 H new ATOM 0 HD21 ASN A 16 22.053 -12.021 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 16 23.468 -11.420 6.676 1.00 0.00 H new ATOM 272 N GLU A 17 24.297 -8.092 3.294 1.00 0.00 N ATOM 273 CA GLU A 17 24.680 -7.392 2.072 1.00 0.00 C ATOM 274 C GLU A 17 26.197 -7.257 1.962 1.00 0.00 C ATOM 275 O GLU A 17 26.901 -7.195 2.970 1.00 0.00 O ATOM 276 CB GLU A 17 24.010 -6.012 2.026 1.00 0.00 C ATOM 277 CG GLU A 17 22.520 -6.094 1.676 1.00 0.00 C ATOM 278 CD GLU A 17 22.092 -4.963 0.743 1.00 0.00 C ATOM 279 OE1 GLU A 17 20.919 -4.924 0.411 1.00 0.00 O ATOM 280 OE2 GLU A 17 22.860 -4.029 0.578 1.00 0.00 O ATOM 0 H GLU A 17 24.530 -7.598 4.156 1.00 0.00 H new ATOM 0 HA GLU A 17 24.339 -7.980 1.220 1.00 0.00 H new ATOM 0 HB2 GLU A 17 24.126 -5.523 2.993 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.519 -5.389 1.290 1.00 0.00 H new ATOM 0 HG2 GLU A 17 22.310 -7.054 1.204 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.929 -6.053 2.591 1.00 0.00 H new ATOM 287 N LYS A 18 26.696 -7.422 0.739 1.00 0.00 N ATOM 288 CA LYS A 18 28.134 -7.425 0.487 1.00 0.00 C ATOM 289 C LYS A 18 28.648 -5.996 0.320 1.00 0.00 C ATOM 290 O LYS A 18 28.222 -5.320 -0.616 1.00 0.00 O ATOM 291 CB LYS A 18 28.432 -8.234 -0.780 1.00 0.00 C ATOM 292 CG LYS A 18 27.494 -9.440 -0.861 1.00 0.00 C ATOM 293 CD LYS A 18 27.602 -10.277 0.416 1.00 0.00 C ATOM 294 CE LYS A 18 26.838 -11.590 0.234 1.00 0.00 C ATOM 295 NZ LYS A 18 25.376 -11.308 0.165 1.00 0.00 N ATOM 0 H LYS A 18 26.124 -7.556 -0.095 1.00 0.00 H new ATOM 0 HA LYS A 18 28.640 -7.881 1.338 1.00 0.00 H new ATOM 0 HB2 LYS A 18 28.307 -7.605 -1.661 1.00 0.00 H new ATOM 0 HB3 LYS A 18 29.469 -8.569 -0.772 1.00 0.00 H new ATOM 0 HG2 LYS A 18 26.467 -9.103 -0.998 1.00 0.00 H new ATOM 0 HG3 LYS A 18 27.748 -10.050 -1.728 1.00 0.00 H new ATOM 0 HD2 LYS A 18 28.649 -10.482 0.642 1.00 0.00 H new ATOM 0 HD3 LYS A 18 27.196 -9.722 1.262 1.00 0.00 H new ATOM 0 HE2 LYS A 18 27.166 -12.091 -0.677 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.050 -12.265 1.063 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 24.849 -12.204 0.178 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 25.095 -10.729 0.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 25.163 -10.793 -0.713 1.00 0.00 H new ATOM 309 N PRO A 19 29.653 -5.571 1.043 1.00 0.00 N ATOM 310 CA PRO A 19 30.227 -4.211 0.839 1.00 0.00 C ATOM 311 C PRO A 19 30.642 -3.999 -0.614 1.00 0.00 C ATOM 312 O PRO A 19 31.560 -4.670 -1.085 1.00 0.00 O ATOM 313 CB PRO A 19 31.437 -4.145 1.780 1.00 0.00 C ATOM 314 CG PRO A 19 31.291 -5.269 2.757 1.00 0.00 C ATOM 315 CD PRO A 19 30.289 -6.271 2.174 1.00 0.00 C ATOM 0 HA PRO A 19 29.502 -3.427 1.056 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.367 -4.239 1.220 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.472 -3.186 2.297 1.00 0.00 H new ATOM 0 HG2 PRO A 19 32.253 -5.750 2.932 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.941 -4.895 3.719 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.790 -7.180 1.842 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.550 -6.567 2.919 1.00 0.00 H new ATOM 323 N ILE A 20 30.191 -2.901 -1.217 1.00 0.00 N ATOM 324 CA ILE A 20 30.679 -2.533 -2.544 1.00 0.00 C ATOM 325 C ILE A 20 30.732 -1.020 -2.745 1.00 0.00 C ATOM 326 O ILE A 20 30.431 -0.248 -1.834 1.00 0.00 O ATOM 327 CB ILE A 20 29.855 -3.265 -3.620 1.00 0.00 C ATOM 328 CG1 ILE A 20 30.735 -3.578 -4.833 1.00 0.00 C ATOM 329 CG2 ILE A 20 28.619 -2.505 -4.130 1.00 0.00 C ATOM 330 CD1 ILE A 20 30.093 -4.689 -5.668 1.00 0.00 C ATOM 0 H ILE A 20 29.503 -2.262 -0.818 1.00 0.00 H new ATOM 0 HA ILE A 20 31.714 -2.860 -2.641 1.00 0.00 H new ATOM 0 HB ILE A 20 29.495 -4.164 -3.120 1.00 0.00 H new ATOM 0 HG12 ILE A 20 30.864 -2.682 -5.441 1.00 0.00 H new ATOM 0 HG13 ILE A 20 31.728 -3.886 -4.504 1.00 0.00 H new ATOM 0 HG21 ILE A 20 28.108 -3.105 -4.884 1.00 0.00 H new ATOM 0 HG22 ILE A 20 27.941 -2.313 -3.298 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.930 -1.558 -4.570 1.00 0.00 H new ATOM 0 HD11 ILE A 20 30.724 -4.907 -6.530 1.00 0.00 H new ATOM 0 HD12 ILE A 20 29.987 -5.587 -5.059 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.110 -4.365 -6.011 1.00 0.00 H new ATOM 342 N GLY A 21 31.120 -0.619 -3.951 1.00 0.00 N ATOM 343 CA GLY A 21 31.102 0.783 -4.356 1.00 0.00 C ATOM 344 C GLY A 21 31.512 1.711 -3.217 1.00 0.00 C ATOM 345 O GLY A 21 32.104 1.274 -2.230 1.00 0.00 O ATOM 0 H GLY A 21 31.455 -1.255 -4.674 1.00 0.00 H new ATOM 0 HA2 GLY A 21 31.776 0.925 -5.200 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.102 1.049 -4.698 1.00 0.00 H new ATOM 349 N TYR A 22 31.401 3.014 -3.457 1.00 0.00 N ATOM 350 CA TYR A 22 31.852 4.011 -2.491 1.00 0.00 C ATOM 351 C TYR A 22 30.804 5.110 -2.347 1.00 0.00 C ATOM 352 O TYR A 22 29.894 5.221 -3.169 1.00 0.00 O ATOM 353 CB TYR A 22 33.184 4.609 -2.958 1.00 0.00 C ATOM 354 CG TYR A 22 33.976 5.123 -1.778 1.00 0.00 C ATOM 355 CD1 TYR A 22 33.755 6.415 -1.286 1.00 0.00 C ATOM 356 CD2 TYR A 22 34.910 4.287 -1.154 1.00 0.00 C ATOM 357 CE1 TYR A 22 34.455 6.863 -0.159 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.623 4.742 -0.039 1.00 0.00 C ATOM 359 CZ TYR A 22 35.395 6.030 0.459 1.00 0.00 C ATOM 360 OH TYR A 22 36.100 6.479 1.557 1.00 0.00 O ATOM 0 H TYR A 22 31.003 3.404 -4.311 1.00 0.00 H new ATOM 0 HA TYR A 22 31.993 3.535 -1.521 1.00 0.00 H new ATOM 0 HB2 TYR A 22 33.762 3.853 -3.490 1.00 0.00 H new ATOM 0 HB3 TYR A 22 32.998 5.421 -3.661 1.00 0.00 H new ATOM 0 HD1 TYR A 22 33.045 7.066 -1.775 1.00 0.00 H new ATOM 0 HD2 TYR A 22 35.080 3.290 -1.533 1.00 0.00 H new ATOM 0 HE1 TYR A 22 34.270 7.852 0.234 1.00 0.00 H new ATOM 0 HE2 TYR A 22 36.349 4.099 0.437 1.00 0.00 H new ATOM 0 HH TYR A 22 36.710 5.776 1.864 1.00 0.00 H new ATOM 370 N CYS A 23 30.828 5.786 -1.204 1.00 0.00 N ATOM 371 CA CYS A 23 29.766 6.715 -0.833 1.00 0.00 C ATOM 372 C CYS A 23 30.329 7.728 0.162 1.00 0.00 C ATOM 373 O CYS A 23 31.546 7.834 0.322 1.00 0.00 O ATOM 374 CB CYS A 23 28.573 5.945 -0.247 1.00 0.00 C ATOM 375 SG CYS A 23 27.047 6.228 -1.180 1.00 0.00 S ATOM 0 H CYS A 23 31.576 5.708 -0.515 1.00 0.00 H new ATOM 0 HA CYS A 23 29.405 7.251 -1.711 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.800 4.879 -0.240 1.00 0.00 H new ATOM 0 HB3 CYS A 23 28.423 6.246 0.790 1.00 0.00 H new ATOM 380 N ARG A 24 29.460 8.596 0.671 1.00 0.00 N ATOM 381 CA ARG A 24 29.888 9.738 1.470 1.00 0.00 C ATOM 382 C ARG A 24 30.263 9.299 2.881 1.00 0.00 C ATOM 383 O ARG A 24 30.228 8.101 3.160 1.00 0.00 O ATOM 384 CB ARG A 24 28.736 10.740 1.565 1.00 0.00 C ATOM 385 CG ARG A 24 28.325 11.184 0.160 1.00 0.00 C ATOM 386 CD ARG A 24 27.066 12.049 0.247 1.00 0.00 C ATOM 387 NE ARG A 24 27.395 13.376 0.755 1.00 0.00 N ATOM 388 CZ ARG A 24 27.704 14.375 -0.065 1.00 0.00 C ATOM 389 NH1 ARG A 24 28.931 14.523 -0.484 1.00 0.00 N ATOM 390 NH2 ARG A 24 26.759 15.146 -0.531 1.00 0.00 N ATOM 0 H ARG A 24 28.450 8.529 0.543 1.00 0.00 H new ATOM 0 HA ARG A 24 30.757 10.190 0.993 1.00 0.00 H new ATOM 0 HB2 ARG A 24 27.887 10.286 2.077 1.00 0.00 H new ATOM 0 HB3 ARG A 24 29.040 11.604 2.156 1.00 0.00 H new ATOM 0 HG2 ARG A 24 29.134 11.746 -0.307 1.00 0.00 H new ATOM 0 HG3 ARG A 24 28.138 10.313 -0.468 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.606 12.133 -0.738 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.335 11.573 0.901 1.00 0.00 H new ATOM 0 HE ARG A 24 27.388 13.541 1.762 1.00 0.00 H new ATOM 0 HH11 ARG A 24 29.655 13.871 -0.182 1.00 0.00 H new ATOM 0 HH12 ARG A 24 29.166 15.291 -1.113 1.00 0.00 H new ATOM 0 HH21 ARG A 24 25.788 14.980 -0.265 1.00 0.00 H new ATOM 0 HH22 ARG A 24 26.992 15.914 -1.161 1.00 0.00 H new ATOM 404 N ASN A 25 31.004 10.174 3.556 1.00 0.00 N ATOM 405 CA ASN A 25 31.393 9.980 4.950 1.00 0.00 C ATOM 406 C ASN A 25 31.579 8.506 5.295 1.00 0.00 C ATOM 407 O ASN A 25 31.184 8.073 6.377 1.00 0.00 O ATOM 408 CB ASN A 25 30.341 10.590 5.881 1.00 0.00 C ATOM 409 CG ASN A 25 29.747 11.850 5.261 1.00 0.00 C ATOM 410 OD1 ASN A 25 30.223 12.955 5.520 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.642 11.759 4.573 1.00 0.00 N ATOM 0 H ASN A 25 31.353 11.042 3.149 1.00 0.00 H new ATOM 0 HA ASN A 25 32.351 10.481 5.089 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.551 9.864 6.072 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.793 10.829 6.843 1.00 0.00 H new ATOM 0 HD21 ASN A 25 28.172 12.604 4.249 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.248 10.843 4.359 1.00 0.00 H new ATOM 418 N GLY A 26 32.425 7.827 4.527 1.00 0.00 N ATOM 419 CA GLY A 26 32.809 6.460 4.858 1.00 0.00 C ATOM 420 C GLY A 26 31.824 5.453 4.274 1.00 0.00 C ATOM 421 O GLY A 26 32.136 4.268 4.157 1.00 0.00 O ATOM 0 H GLY A 26 32.854 8.197 3.679 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.809 6.258 4.475 1.00 0.00 H new ATOM 0 HA3 GLY A 26 32.852 6.344 5.941 1.00 0.00 H new ATOM 425 N LYS A 27 30.586 5.888 4.061 1.00 0.00 N ATOM 426 CA LYS A 27 29.535 4.949 3.694 1.00 0.00 C ATOM 427 C LYS A 27 29.754 4.452 2.269 1.00 0.00 C ATOM 428 O LYS A 27 30.374 5.153 1.469 1.00 0.00 O ATOM 429 CB LYS A 27 28.164 5.618 3.836 1.00 0.00 C ATOM 430 CG LYS A 27 28.181 6.596 5.015 1.00 0.00 C ATOM 431 CD LYS A 27 26.766 6.806 5.558 1.00 0.00 C ATOM 432 CE LYS A 27 26.848 7.745 6.762 1.00 0.00 C ATOM 433 NZ LYS A 27 25.493 7.913 7.358 1.00 0.00 N ATOM 0 H LYS A 27 30.291 6.862 4.134 1.00 0.00 H new ATOM 0 HA LYS A 27 29.569 4.090 4.364 1.00 0.00 H new ATOM 0 HB2 LYS A 27 27.911 6.147 2.917 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.395 4.861 3.991 1.00 0.00 H new ATOM 0 HG2 LYS A 27 28.826 6.211 5.805 1.00 0.00 H new ATOM 0 HG3 LYS A 27 28.600 7.551 4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.123 7.232 4.788 1.00 0.00 H new ATOM 0 HD3 LYS A 27 26.326 5.852 5.849 1.00 0.00 H new ATOM 0 HE2 LYS A 27 27.536 7.341 7.505 1.00 0.00 H new ATOM 0 HE3 LYS A 27 27.244 8.713 6.455 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 25.583 8.285 8.325 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 24.940 8.578 6.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 25.009 6.993 7.385 1.00 0.00 H new ATOM 447 N LYS A 28 29.619 3.142 2.092 1.00 0.00 N ATOM 448 CA LYS A 28 29.896 2.501 0.809 1.00 0.00 C ATOM 449 C LYS A 28 28.599 1.910 0.270 1.00 0.00 C ATOM 450 O LYS A 28 27.758 1.497 1.068 1.00 0.00 O ATOM 451 CB LYS A 28 30.952 1.407 0.988 1.00 0.00 C ATOM 452 CG LYS A 28 31.965 1.882 2.033 1.00 0.00 C ATOM 453 CD LYS A 28 33.166 0.934 2.071 1.00 0.00 C ATOM 454 CE LYS A 28 34.139 1.407 3.153 1.00 0.00 C ATOM 455 NZ LYS A 28 35.368 0.566 3.126 1.00 0.00 N ATOM 0 H LYS A 28 29.318 2.499 2.825 1.00 0.00 H new ATOM 0 HA LYS A 28 30.283 3.233 0.101 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.484 0.476 1.309 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.451 1.203 0.041 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.297 2.893 1.796 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.494 1.924 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 28 32.836 -0.084 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 28 33.662 0.915 1.101 1.00 0.00 H new ATOM 0 HE2 LYS A 28 34.399 2.453 2.990 1.00 0.00 H new ATOM 0 HE3 LYS A 28 33.666 1.345 4.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 36.027 0.890 3.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 35.113 -0.427 3.302 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 35.823 0.646 2.194 1.00 0.00 H new ATOM 469 N CYS A 29 28.622 1.468 -0.982 1.00 0.00 N ATOM 470 CA CYS A 29 27.448 0.802 -1.533 1.00 0.00 C ATOM 471 C CYS A 29 27.588 -0.690 -1.285 1.00 0.00 C ATOM 472 O CYS A 29 28.440 -1.352 -1.865 1.00 0.00 O ATOM 473 CB CYS A 29 27.345 1.008 -3.044 1.00 0.00 C ATOM 474 SG CYS A 29 26.645 2.645 -3.357 1.00 0.00 S ATOM 0 H CYS A 29 29.415 1.554 -1.618 1.00 0.00 H new ATOM 0 HA CYS A 29 26.562 1.219 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.329 0.923 -3.505 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.717 0.237 -3.489 1.00 0.00 H new ATOM 479 N CYS A 30 26.795 -1.234 -0.377 1.00 0.00 N ATOM 480 CA CYS A 30 26.821 -2.681 -0.243 1.00 0.00 C ATOM 481 C CYS A 30 25.886 -3.307 -1.271 1.00 0.00 C ATOM 482 O CYS A 30 24.666 -3.229 -1.136 1.00 0.00 O ATOM 483 CB CYS A 30 26.393 -3.054 1.175 1.00 0.00 C ATOM 484 SG CYS A 30 27.524 -2.338 2.396 1.00 0.00 S ATOM 0 H CYS A 30 26.161 -0.732 0.245 1.00 0.00 H new ATOM 0 HA CYS A 30 27.828 -3.057 -0.422 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.379 -2.699 1.359 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.375 -4.139 1.281 1.00 0.00 H new ATOM 489 N VAL A 31 26.460 -4.126 -2.148 1.00 0.00 N ATOM 490 CA VAL A 31 25.664 -4.821 -3.153 1.00 0.00 C ATOM 491 C VAL A 31 25.179 -6.125 -2.535 1.00 0.00 C ATOM 492 O VAL A 31 25.970 -6.990 -2.159 1.00 0.00 O ATOM 493 CB VAL A 31 26.489 -5.062 -4.428 1.00 0.00 C ATOM 494 CG1 VAL A 31 26.259 -6.456 -5.021 1.00 0.00 C ATOM 495 CG2 VAL A 31 26.105 -4.038 -5.499 1.00 0.00 C ATOM 0 H VAL A 31 27.460 -4.323 -2.183 1.00 0.00 H new ATOM 0 HA VAL A 31 24.806 -4.218 -3.452 1.00 0.00 H new ATOM 0 HB VAL A 31 27.536 -4.968 -4.140 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.865 -6.574 -5.919 1.00 0.00 H new ATOM 0 HG12 VAL A 31 26.542 -7.214 -4.290 1.00 0.00 H new ATOM 0 HG13 VAL A 31 25.206 -6.574 -5.276 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.694 -4.215 -6.399 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.045 -4.137 -5.733 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.303 -3.032 -5.128 1.00 0.00 H new ATOM 505 N ASN A 32 23.858 -6.245 -2.479 1.00 0.00 N ATOM 506 CA ASN A 32 23.225 -7.380 -1.825 1.00 0.00 C ATOM 507 C ASN A 32 23.584 -8.674 -2.546 1.00 0.00 C ATOM 508 O ASN A 32 24.767 -8.949 -2.664 1.00 0.00 O ATOM 509 CB ASN A 32 21.709 -7.178 -1.825 1.00 0.00 C ATOM 510 CG ASN A 32 21.064 -8.168 -0.863 1.00 0.00 C ATOM 511 OD1 ASN A 32 21.561 -9.281 -0.697 1.00 0.00 O ATOM 512 ND2 ASN A 32 20.050 -7.786 -0.136 1.00 0.00 N ATOM 513 OXT ASN A 32 22.688 -9.268 -3.121 1.00 0.00 O ATOM 0 H ASN A 32 23.206 -5.570 -2.879 1.00 0.00 H new ATOM 0 HA ASN A 32 23.582 -7.450 -0.798 1.00 0.00 H new ATOM 0 HB2 ASN A 32 21.468 -6.157 -1.529 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.312 -7.321 -2.830 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.667 -8.411 0.573 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.641 -6.862 -0.277 1.00 0.00 H new TER 520 ASN A 32