USER MOD reduce.3.24.130724 H: found=0, std=0, add=263, rem=0, adj=4 USER MOD reduce.3.24.130724 removed 263 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LYS N :NH3+ 166:sc= -0.358 (180deg=-0.915) 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+ -164:sc=-0.000296 (180deg=-0.25) USER MOD Single : A 16 ASN : amide:sc= -0.664 K(o=-0.66,f=-2.8!) USER MOD Single : A 18 LYS NZ :NH3+ -162:sc= -0.212 (180deg=-0.968) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 ASN : amide:sc= -0.174 K(o=-0.17,f=-2.2!) 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= 0.49 K(o=0.49,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 1 N LYS A 1 25.257 8.495 -3.638 1.00 0.00 N ATOM 2 CA LYS A 1 23.773 8.541 -3.504 1.00 0.00 C ATOM 3 C LYS A 1 23.151 7.481 -4.408 1.00 0.00 C ATOM 4 O LYS A 1 21.958 7.533 -4.710 1.00 0.00 O ATOM 5 CB LYS A 1 23.270 9.934 -3.888 1.00 0.00 C ATOM 6 CG LYS A 1 23.601 10.224 -5.354 1.00 0.00 C ATOM 7 CD LYS A 1 23.196 11.655 -5.722 1.00 0.00 C ATOM 8 CE LYS A 1 24.262 12.654 -5.263 1.00 0.00 C ATOM 9 NZ LYS A 1 23.959 13.995 -5.841 1.00 0.00 N ATOM 0 H1 LYS A 1 25.670 9.352 -3.219 1.00 0.00 H new ATOM 0 H2 LYS A 1 25.624 7.657 -3.144 1.00 0.00 H new ATOM 0 H3 LYS A 1 25.513 8.444 -4.645 1.00 0.00 H new ATOM 0 HA LYS A 1 23.487 8.337 -2.472 1.00 0.00 H new ATOM 0 HB2 LYS A 1 22.193 9.997 -3.730 1.00 0.00 H new ATOM 0 HB3 LYS A 1 23.731 10.686 -3.247 1.00 0.00 H new ATOM 0 HG2 LYS A 1 24.668 10.086 -5.526 1.00 0.00 H new ATOM 0 HG3 LYS A 1 23.080 9.515 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 1 23.057 11.733 -6.800 1.00 0.00 H new ATOM 0 HD3 LYS A 1 22.239 11.898 -5.259 1.00 0.00 H new ATOM 0 HE2 LYS A 1 24.281 12.710 -4.175 1.00 0.00 H new ATOM 0 HE3 LYS A 1 25.250 12.322 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 1 24.681 14.677 -5.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 1 23.962 13.934 -6.879 1.00 0.00 H new ATOM 0 HZ3 LYS A 1 23.023 14.310 -5.515 1.00 0.00 H new ATOM 25 N LYS A 2 23.987 6.583 -4.919 1.00 0.00 N ATOM 26 CA LYS A 2 23.532 5.545 -5.838 1.00 0.00 C ATOM 27 C LYS A 2 24.314 4.255 -5.613 1.00 0.00 C ATOM 28 O LYS A 2 25.479 4.287 -5.213 1.00 0.00 O ATOM 29 CB LYS A 2 23.714 6.021 -7.282 1.00 0.00 C ATOM 30 CG LYS A 2 25.199 6.277 -7.556 1.00 0.00 C ATOM 31 CD LYS A 2 25.386 6.883 -8.950 1.00 0.00 C ATOM 32 CE LYS A 2 25.103 8.387 -8.932 1.00 0.00 C ATOM 33 NZ LYS A 2 25.548 8.988 -10.221 1.00 0.00 N ATOM 0 H LYS A 2 24.985 6.553 -4.712 1.00 0.00 H new ATOM 0 HA LYS A 2 22.476 5.348 -5.653 1.00 0.00 H new ATOM 0 HB2 LYS A 2 23.330 5.271 -7.974 1.00 0.00 H new ATOM 0 HB3 LYS A 2 23.141 6.933 -7.450 1.00 0.00 H new ATOM 0 HG2 LYS A 2 25.604 6.952 -6.802 1.00 0.00 H new ATOM 0 HG3 LYS A 2 25.756 5.343 -7.480 1.00 0.00 H new ATOM 0 HD2 LYS A 2 26.404 6.704 -9.295 1.00 0.00 H new ATOM 0 HD3 LYS A 2 24.718 6.391 -9.658 1.00 0.00 H new ATOM 0 HE2 LYS A 2 24.038 8.566 -8.782 1.00 0.00 H new ATOM 0 HE3 LYS A 2 25.626 8.857 -8.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 25.357 10.010 -10.212 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 26.568 8.828 -10.345 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 25.030 8.546 -11.007 1.00 0.00 H new ATOM 47 N CYS A 3 23.678 3.123 -5.897 1.00 0.00 N ATOM 48 CA CYS A 3 24.336 1.826 -5.776 1.00 0.00 C ATOM 49 C CYS A 3 23.896 0.889 -6.895 1.00 0.00 C ATOM 50 O CYS A 3 23.490 1.354 -7.961 1.00 0.00 O ATOM 51 CB CYS A 3 23.996 1.189 -4.427 1.00 0.00 C ATOM 52 SG CYS A 3 24.771 2.112 -3.076 1.00 0.00 S ATOM 0 H CYS A 3 22.709 3.077 -6.212 1.00 0.00 H new ATOM 0 HA CYS A 3 25.412 1.985 -5.848 1.00 0.00 H new ATOM 0 HB2 CYS A 3 22.915 1.170 -4.289 1.00 0.00 H new ATOM 0 HB3 CYS A 3 24.337 0.154 -4.411 1.00 0.00 H new ATOM 57 N TRP A 4 24.362 -0.352 -6.794 1.00 0.00 N ATOM 58 CA TRP A 4 24.292 -1.307 -7.896 1.00 0.00 C ATOM 59 C TRP A 4 23.461 -2.512 -7.467 1.00 0.00 C ATOM 60 O TRP A 4 23.147 -2.659 -6.286 1.00 0.00 O ATOM 61 CB TRP A 4 25.703 -1.758 -8.292 1.00 0.00 C ATOM 62 CG TRP A 4 26.677 -0.656 -8.024 1.00 0.00 C ATOM 63 CD1 TRP A 4 27.124 -0.314 -6.794 1.00 0.00 C ATOM 64 CD2 TRP A 4 27.430 0.155 -8.972 1.00 0.00 C ATOM 65 NE1 TRP A 4 28.045 0.708 -6.920 1.00 0.00 N ATOM 66 CE2 TRP A 4 28.280 1.025 -8.242 1.00 0.00 C ATOM 67 CE3 TRP A 4 27.430 0.253 -10.374 1.00 0.00 C ATOM 68 CZ2 TRP A 4 29.097 1.961 -8.886 1.00 0.00 C ATOM 69 CZ3 TRP A 4 28.259 1.179 -11.023 1.00 0.00 C ATOM 70 CH2 TRP A 4 29.092 2.027 -10.283 1.00 0.00 C ATOM 0 H TRP A 4 24.797 -0.723 -5.950 1.00 0.00 H new ATOM 0 HA TRP A 4 23.823 -0.831 -8.757 1.00 0.00 H new ATOM 0 HB2 TRP A 4 25.982 -2.648 -7.729 1.00 0.00 H new ATOM 0 HB3 TRP A 4 25.726 -2.028 -9.348 1.00 0.00 H new ATOM 0 HD1 TRP A 4 26.812 -0.766 -5.864 1.00 0.00 H new ATOM 0 HE1 TRP A 4 28.496 1.172 -6.132 1.00 0.00 H new ATOM 0 HE3 TRP A 4 26.786 -0.390 -10.956 1.00 0.00 H new ATOM 0 HZ2 TRP A 4 29.725 2.625 -8.310 1.00 0.00 H new ATOM 0 HZ3 TRP A 4 28.255 1.239 -12.101 1.00 0.00 H new ATOM 0 HH2 TRP A 4 29.732 2.733 -10.792 1.00 0.00 H new ATOM 81 N ASN A 5 22.958 -3.259 -8.444 1.00 0.00 N ATOM 82 CA ASN A 5 22.193 -4.466 -8.151 1.00 0.00 C ATOM 83 C ASN A 5 21.177 -4.192 -7.048 1.00 0.00 C ATOM 84 O ASN A 5 20.806 -5.090 -6.292 1.00 0.00 O ATOM 85 CB ASN A 5 23.133 -5.586 -7.701 1.00 0.00 C ATOM 86 CG ASN A 5 23.972 -6.083 -8.872 1.00 0.00 C ATOM 87 OD1 ASN A 5 23.515 -6.911 -9.660 1.00 0.00 O ATOM 88 ND2 ASN A 5 25.198 -5.656 -9.005 1.00 0.00 N ATOM 0 H ASN A 5 23.065 -3.053 -9.437 1.00 0.00 H new ATOM 0 HA ASN A 5 21.669 -4.771 -9.057 1.00 0.00 H new ATOM 0 HB2 ASN A 5 23.786 -5.224 -6.907 1.00 0.00 H new ATOM 0 HB3 ASN A 5 22.553 -6.410 -7.286 1.00 0.00 H new ATOM 0 HD21 ASN A 5 25.781 -6.008 -9.764 1.00 0.00 H new ATOM 0 HD22 ASN A 5 25.573 -4.970 -8.350 1.00 0.00 H new ATOM 95 N GLY A 6 20.667 -2.966 -7.022 1.00 0.00 N ATOM 96 CA GLY A 6 19.628 -2.601 -6.067 1.00 0.00 C ATOM 97 C GLY A 6 20.174 -2.528 -4.643 1.00 0.00 C ATOM 98 O GLY A 6 19.439 -2.756 -3.682 1.00 0.00 O ATOM 0 H GLY A 6 20.954 -2.213 -7.647 1.00 0.00 H new ATOM 0 HA2 GLY A 6 19.201 -1.637 -6.344 1.00 0.00 H new ATOM 0 HA3 GLY A 6 18.820 -3.331 -6.111 1.00 0.00 H new ATOM 102 N GLY A 7 21.461 -2.222 -4.512 1.00 0.00 N ATOM 103 CA GLY A 7 22.088 -2.114 -3.198 1.00 0.00 C ATOM 104 C GLY A 7 21.805 -0.754 -2.569 1.00 0.00 C ATOM 105 O GLY A 7 21.053 0.045 -3.130 1.00 0.00 O ATOM 0 H GLY A 7 22.089 -2.045 -5.296 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.715 -2.905 -2.547 1.00 0.00 H new ATOM 0 HA3 GLY A 7 23.164 -2.259 -3.291 1.00 0.00 H new ATOM 109 N ARG A 8 22.535 -0.423 -1.506 1.00 0.00 N ATOM 110 CA ARG A 8 22.399 0.882 -0.864 1.00 0.00 C ATOM 111 C ARG A 8 23.755 1.374 -0.358 1.00 0.00 C ATOM 112 O ARG A 8 24.663 0.562 -0.182 1.00 0.00 O ATOM 113 CB ARG A 8 21.399 0.767 0.292 1.00 0.00 C ATOM 114 CG ARG A 8 21.895 -0.206 1.373 1.00 0.00 C ATOM 115 CD ARG A 8 22.043 0.504 2.723 1.00 0.00 C ATOM 116 NE ARG A 8 20.766 1.084 3.131 1.00 0.00 N ATOM 117 CZ ARG A 8 20.599 2.397 3.266 1.00 0.00 C ATOM 118 NH1 ARG A 8 21.335 3.225 2.577 1.00 0.00 N ATOM 119 NH2 ARG A 8 19.677 2.859 4.067 1.00 0.00 N ATOM 0 H ARG A 8 23.224 -1.038 -1.073 1.00 0.00 H new ATOM 0 HA ARG A 8 22.031 1.608 -1.589 1.00 0.00 H new ATOM 0 HB2 ARG A 8 21.237 1.750 0.733 1.00 0.00 H new ATOM 0 HB3 ARG A 8 20.437 0.427 -0.091 1.00 0.00 H new ATOM 0 HG2 ARG A 8 21.195 -1.036 1.469 1.00 0.00 H new ATOM 0 HG3 ARG A 8 22.854 -0.630 1.074 1.00 0.00 H new ATOM 0 HD2 ARG A 8 22.387 -0.203 3.478 1.00 0.00 H new ATOM 0 HD3 ARG A 8 22.799 1.286 2.650 1.00 0.00 H new ATOM 0 HE ARG A 8 19.978 0.464 3.318 1.00 0.00 H new ATOM 0 HH11 ARG A 8 22.040 2.866 1.933 1.00 0.00 H new ATOM 0 HH12 ARG A 8 21.205 4.231 2.682 1.00 0.00 H new ATOM 0 HH21 ARG A 8 19.085 2.213 4.589 1.00 0.00 H new ATOM 0 HH22 ARG A 8 19.549 3.866 4.170 1.00 0.00 H new ATOM 133 N CYS A 9 23.840 2.633 0.078 1.00 0.00 N ATOM 134 CA CYS A 9 25.070 3.145 0.681 1.00 0.00 C ATOM 135 C CYS A 9 24.862 3.278 2.186 1.00 0.00 C ATOM 136 O CYS A 9 24.054 4.091 2.636 1.00 0.00 O ATOM 137 CB CYS A 9 25.492 4.527 0.162 1.00 0.00 C ATOM 138 SG CYS A 9 25.825 4.512 -1.619 1.00 0.00 S ATOM 0 H CYS A 9 23.079 3.310 0.025 1.00 0.00 H new ATOM 0 HA CYS A 9 25.853 2.434 0.417 1.00 0.00 H new ATOM 0 HB2 CYS A 9 24.706 5.251 0.378 1.00 0.00 H new ATOM 0 HB3 CYS A 9 26.384 4.857 0.695 1.00 0.00 H new ATOM 143 N ARG A 10 25.761 2.655 2.941 1.00 0.00 N ATOM 144 CA ARG A 10 25.857 2.889 4.378 1.00 0.00 C ATOM 145 C ARG A 10 27.249 2.513 4.876 1.00 0.00 C ATOM 146 O ARG A 10 27.954 1.728 4.242 1.00 0.00 O ATOM 147 CB ARG A 10 24.786 2.085 5.129 1.00 0.00 C ATOM 148 CG ARG A 10 23.480 2.876 5.264 1.00 0.00 C ATOM 149 CD ARG A 10 22.575 2.213 6.306 1.00 0.00 C ATOM 150 NE ARG A 10 21.398 3.040 6.545 1.00 0.00 N ATOM 151 CZ ARG A 10 20.818 3.098 7.741 1.00 0.00 C ATOM 152 NH1 ARG A 10 20.185 4.179 8.107 1.00 0.00 N ATOM 153 NH2 ARG A 10 21.010 2.137 8.602 1.00 0.00 N ATOM 0 H ARG A 10 26.436 1.981 2.580 1.00 0.00 H new ATOM 0 HA ARG A 10 25.687 3.948 4.571 1.00 0.00 H new ATOM 0 HB2 ARG A 10 24.594 1.151 4.601 1.00 0.00 H new ATOM 0 HB3 ARG A 10 25.156 1.821 6.119 1.00 0.00 H new ATOM 0 HG2 ARG A 10 23.696 3.903 5.558 1.00 0.00 H new ATOM 0 HG3 ARG A 10 22.970 2.920 4.302 1.00 0.00 H new ATOM 0 HD2 ARG A 10 22.271 1.225 5.959 1.00 0.00 H new ATOM 0 HD3 ARG A 10 23.123 2.069 7.237 1.00 0.00 H new ATOM 0 HE ARG A 10 21.010 3.587 5.777 1.00 0.00 H new ATOM 0 HH11 ARG A 10 20.135 4.979 7.476 1.00 0.00 H new ATOM 0 HH12 ARG A 10 19.740 4.224 9.024 1.00 0.00 H new ATOM 0 HH21 ARG A 10 21.603 1.344 8.357 1.00 0.00 H new ATOM 0 HH22 ARG A 10 20.567 2.178 9.520 1.00 0.00 H new ATOM 167 N LYS A 11 27.571 2.954 6.089 1.00 0.00 N ATOM 168 CA LYS A 11 28.828 2.577 6.725 1.00 0.00 C ATOM 169 C LYS A 11 28.861 1.062 6.897 1.00 0.00 C ATOM 170 O LYS A 11 29.859 0.491 7.338 1.00 0.00 O ATOM 171 CB LYS A 11 28.941 3.284 8.082 1.00 0.00 C ATOM 172 CG LYS A 11 29.831 4.528 7.991 1.00 0.00 C ATOM 173 CD LYS A 11 31.309 4.130 8.045 1.00 0.00 C ATOM 174 CE LYS A 11 32.172 5.385 8.190 1.00 0.00 C ATOM 175 NZ LYS A 11 33.585 4.982 8.433 1.00 0.00 N ATOM 0 H LYS A 11 26.981 3.570 6.648 1.00 0.00 H new ATOM 0 HA LYS A 11 29.673 2.879 6.106 1.00 0.00 H new ATOM 0 HB2 LYS A 11 27.948 3.570 8.429 1.00 0.00 H new ATOM 0 HB3 LYS A 11 29.351 2.595 8.820 1.00 0.00 H new ATOM 0 HG2 LYS A 11 29.625 5.063 7.064 1.00 0.00 H new ATOM 0 HG3 LYS A 11 29.601 5.209 8.810 1.00 0.00 H new ATOM 0 HD2 LYS A 11 31.485 3.456 8.884 1.00 0.00 H new ATOM 0 HD3 LYS A 11 31.584 3.590 7.139 1.00 0.00 H new ATOM 0 HE2 LYS A 11 32.105 5.993 7.288 1.00 0.00 H new ATOM 0 HE3 LYS A 11 31.809 5.997 9.015 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 34.176 5.832 8.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 33.640 4.418 9.305 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 33.927 4.414 7.631 1.00 0.00 H new ATOM 189 N LYS A 12 27.705 0.450 6.666 1.00 0.00 N ATOM 190 CA LYS A 12 27.542 -0.992 6.801 1.00 0.00 C ATOM 191 C LYS A 12 26.598 -1.493 5.715 1.00 0.00 C ATOM 192 O LYS A 12 26.135 -0.714 4.882 1.00 0.00 O ATOM 193 CB LYS A 12 26.961 -1.337 8.173 1.00 0.00 C ATOM 194 CG LYS A 12 27.992 -1.030 9.258 1.00 0.00 C ATOM 195 CD LYS A 12 27.399 -1.376 10.625 1.00 0.00 C ATOM 196 CE LYS A 12 28.428 -1.079 11.717 1.00 0.00 C ATOM 197 NZ LYS A 12 27.841 -1.395 13.049 1.00 0.00 N ATOM 0 H LYS A 12 26.856 0.939 6.380 1.00 0.00 H new ATOM 0 HA LYS A 12 28.517 -1.470 6.700 1.00 0.00 H new ATOM 0 HB2 LYS A 12 26.051 -0.763 8.349 1.00 0.00 H new ATOM 0 HB3 LYS A 12 26.685 -2.391 8.208 1.00 0.00 H new ATOM 0 HG2 LYS A 12 28.901 -1.606 9.086 1.00 0.00 H new ATOM 0 HG3 LYS A 12 28.271 0.023 9.225 1.00 0.00 H new ATOM 0 HD2 LYS A 12 26.492 -0.796 10.797 1.00 0.00 H new ATOM 0 HD3 LYS A 12 27.115 -2.428 10.654 1.00 0.00 H new ATOM 0 HE2 LYS A 12 29.328 -1.671 11.554 1.00 0.00 H new ATOM 0 HE3 LYS A 12 28.724 -0.031 11.677 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 28.539 -1.194 13.793 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 26.994 -0.811 13.202 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 27.579 -2.401 13.083 1.00 0.00 H new ATOM 211 N CYS A 13 26.460 -2.810 5.621 1.00 0.00 N ATOM 212 CA CYS A 13 25.657 -3.416 4.566 1.00 0.00 C ATOM 213 C CYS A 13 24.353 -3.953 5.136 1.00 0.00 C ATOM 214 O CYS A 13 24.339 -4.693 6.119 1.00 0.00 O ATOM 215 CB CYS A 13 26.469 -4.547 3.933 1.00 0.00 C ATOM 216 SG CYS A 13 28.047 -3.850 3.390 1.00 0.00 S ATOM 0 H CYS A 13 26.892 -3.477 6.260 1.00 0.00 H new ATOM 0 HA CYS A 13 25.409 -2.670 3.811 1.00 0.00 H new ATOM 0 HB2 CYS A 13 26.632 -5.350 4.652 1.00 0.00 H new ATOM 0 HB3 CYS A 13 25.931 -4.979 3.089 1.00 0.00 H new ATOM 221 N LYS A 14 23.258 -3.489 4.543 1.00 0.00 N ATOM 222 CA LYS A 14 21.929 -3.864 5.007 1.00 0.00 C ATOM 223 C LYS A 14 21.877 -5.365 5.277 1.00 0.00 C ATOM 224 O LYS A 14 22.827 -6.092 4.988 1.00 0.00 O ATOM 225 CB LYS A 14 20.890 -3.424 3.969 1.00 0.00 C ATOM 226 CG LYS A 14 19.583 -4.207 4.122 1.00 0.00 C ATOM 227 CD LYS A 14 18.513 -3.601 3.214 1.00 0.00 C ATOM 228 CE LYS A 14 17.208 -4.379 3.387 1.00 0.00 C ATOM 229 NZ LYS A 14 17.351 -5.731 2.778 1.00 0.00 N ATOM 0 H LYS A 14 23.265 -2.855 3.744 1.00 0.00 H new ATOM 0 HA LYS A 14 21.699 -3.360 5.946 1.00 0.00 H new ATOM 0 HB2 LYS A 14 20.692 -2.358 4.079 1.00 0.00 H new ATOM 0 HB3 LYS A 14 21.290 -3.572 2.966 1.00 0.00 H new ATOM 0 HG2 LYS A 14 19.742 -5.254 3.865 1.00 0.00 H new ATOM 0 HG3 LYS A 14 19.251 -4.181 5.160 1.00 0.00 H new ATOM 0 HD2 LYS A 14 18.360 -2.551 3.463 1.00 0.00 H new ATOM 0 HD3 LYS A 14 18.838 -3.638 2.174 1.00 0.00 H new ATOM 0 HE2 LYS A 14 16.964 -4.469 4.445 1.00 0.00 H new ATOM 0 HE3 LYS A 14 16.386 -3.841 2.915 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 16.410 -6.155 2.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 17.822 -5.648 1.855 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 17.920 -6.335 3.404 1.00 0.00 H new ATOM 243 N GLU A 15 20.821 -5.802 5.954 1.00 0.00 N ATOM 244 CA GLU A 15 20.678 -7.208 6.317 1.00 0.00 C ATOM 245 C GLU A 15 21.195 -8.116 5.204 1.00 0.00 C ATOM 246 O GLU A 15 20.706 -8.079 4.075 1.00 0.00 O ATOM 247 CB GLU A 15 19.199 -7.490 6.610 1.00 0.00 C ATOM 248 CG GLU A 15 18.925 -7.464 8.116 1.00 0.00 C ATOM 249 CD GLU A 15 19.312 -6.112 8.708 1.00 0.00 C ATOM 250 OE1 GLU A 15 19.423 -6.034 9.920 1.00 0.00 O ATOM 251 OE2 GLU A 15 19.591 -5.206 7.940 1.00 0.00 O ATOM 0 H GLU A 15 20.053 -5.205 6.262 1.00 0.00 H new ATOM 0 HA GLU A 15 21.274 -7.417 7.206 1.00 0.00 H new ATOM 0 HB2 GLU A 15 18.577 -6.747 6.110 1.00 0.00 H new ATOM 0 HB3 GLU A 15 18.923 -8.463 6.203 1.00 0.00 H new ATOM 0 HG2 GLU A 15 17.869 -7.660 8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 15 19.488 -8.257 8.608 1.00 0.00 H new ATOM 258 N ASN A 16 22.277 -8.825 5.508 1.00 0.00 N ATOM 259 CA ASN A 16 22.821 -9.821 4.593 1.00 0.00 C ATOM 260 C ASN A 16 23.211 -9.190 3.261 1.00 0.00 C ATOM 261 O ASN A 16 22.809 -9.672 2.202 1.00 0.00 O ATOM 262 CB ASN A 16 21.789 -10.922 4.340 1.00 0.00 C ATOM 263 CG ASN A 16 21.140 -11.348 5.652 1.00 0.00 C ATOM 264 OD1 ASN A 16 21.646 -11.031 6.729 1.00 0.00 O ATOM 265 ND2 ASN A 16 20.025 -12.026 5.626 1.00 0.00 N ATOM 0 H ASN A 16 22.795 -8.728 6.382 1.00 0.00 H new ATOM 0 HA ASN A 16 23.712 -10.246 5.056 1.00 0.00 H new ATOM 0 HB2 ASN A 16 21.027 -10.564 3.648 1.00 0.00 H new ATOM 0 HB3 ASN A 16 22.269 -11.779 3.868 1.00 0.00 H new ATOM 0 HD21 ASN A 16 19.571 -12.294 6.499 1.00 0.00 H new ATOM 0 HD22 ASN A 16 19.608 -12.287 4.733 1.00 0.00 H new ATOM 272 N GLU A 17 23.964 -8.093 3.316 1.00 0.00 N ATOM 273 CA GLU A 17 24.391 -7.394 2.106 1.00 0.00 C ATOM 274 C GLU A 17 25.913 -7.328 2.012 1.00 0.00 C ATOM 275 O GLU A 17 26.606 -7.208 3.022 1.00 0.00 O ATOM 276 CB GLU A 17 23.799 -5.979 2.095 1.00 0.00 C ATOM 277 CG GLU A 17 22.289 -5.990 1.824 1.00 0.00 C ATOM 278 CD GLU A 17 21.868 -4.921 0.818 1.00 0.00 C ATOM 279 OE1 GLU A 17 22.690 -4.092 0.459 1.00 0.00 O ATOM 280 OE2 GLU A 17 20.699 -4.897 0.473 1.00 0.00 O ATOM 0 H GLU A 17 24.291 -7.670 4.185 1.00 0.00 H new ATOM 0 HA GLU A 17 24.028 -7.949 1.241 1.00 0.00 H new ATOM 0 HB2 GLU A 17 23.992 -5.498 3.054 1.00 0.00 H new ATOM 0 HB3 GLU A 17 24.300 -5.382 1.333 1.00 0.00 H new ATOM 0 HG2 GLU A 17 21.997 -6.971 1.450 1.00 0.00 H new ATOM 0 HG3 GLU A 17 21.754 -5.834 2.761 1.00 0.00 H new ATOM 287 N LYS A 18 26.427 -7.546 0.803 1.00 0.00 N ATOM 288 CA LYS A 18 27.867 -7.555 0.569 1.00 0.00 C ATOM 289 C LYS A 18 28.379 -6.118 0.469 1.00 0.00 C ATOM 290 O LYS A 18 27.897 -5.391 -0.398 1.00 0.00 O ATOM 291 CB LYS A 18 28.156 -8.320 -0.730 1.00 0.00 C ATOM 292 CG LYS A 18 28.587 -9.761 -0.446 1.00 0.00 C ATOM 293 CD LYS A 18 27.426 -10.548 0.167 1.00 0.00 C ATOM 294 CE LYS A 18 27.958 -11.841 0.794 1.00 0.00 C ATOM 295 NZ LYS A 18 29.141 -12.321 0.026 1.00 0.00 N ATOM 0 H LYS A 18 25.865 -7.719 -0.030 1.00 0.00 H new ATOM 0 HA LYS A 18 28.378 -8.048 1.396 1.00 0.00 H new ATOM 0 HB2 LYS A 18 27.265 -8.322 -1.358 1.00 0.00 H new ATOM 0 HB3 LYS A 18 28.939 -7.808 -1.289 1.00 0.00 H new ATOM 0 HG2 LYS A 18 28.913 -10.240 -1.369 1.00 0.00 H new ATOM 0 HG3 LYS A 18 29.439 -9.766 0.234 1.00 0.00 H new ATOM 0 HD2 LYS A 18 26.923 -9.945 0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 18 26.686 -10.781 -0.599 1.00 0.00 H new ATOM 0 HE2 LYS A 18 28.234 -11.666 1.834 1.00 0.00 H new ATOM 0 HE3 LYS A 18 27.179 -12.603 0.795 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 29.313 -13.323 0.244 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 28.960 -12.215 -0.993 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 29.977 -11.761 0.289 1.00 0.00 H new ATOM 309 N PRO A 19 29.430 -5.733 1.150 1.00 0.00 N ATOM 310 CA PRO A 19 30.053 -4.396 0.925 1.00 0.00 C ATOM 311 C PRO A 19 30.624 -4.252 -0.481 1.00 0.00 C ATOM 312 O PRO A 19 31.642 -4.874 -0.781 1.00 0.00 O ATOM 313 CB PRO A 19 31.152 -4.278 1.991 1.00 0.00 C ATOM 314 CG PRO A 19 30.943 -5.403 2.954 1.00 0.00 C ATOM 315 CD PRO A 19 30.109 -6.466 2.233 1.00 0.00 C ATOM 0 HA PRO A 19 29.314 -3.600 1.010 1.00 0.00 H new ATOM 0 HB2 PRO A 19 32.140 -4.338 1.535 1.00 0.00 H new ATOM 0 HB3 PRO A 19 31.094 -3.317 2.501 1.00 0.00 H new ATOM 0 HG2 PRO A 19 31.899 -5.817 3.276 1.00 0.00 H new ATOM 0 HG3 PRO A 19 30.429 -5.053 3.849 1.00 0.00 H new ATOM 0 HD2 PRO A 19 30.739 -7.263 1.838 1.00 0.00 H new ATOM 0 HD3 PRO A 19 29.391 -6.932 2.908 1.00 0.00 H new ATOM 323 N ILE A 20 30.237 -3.173 -1.161 1.00 0.00 N ATOM 324 CA ILE A 20 30.940 -2.767 -2.375 1.00 0.00 C ATOM 325 C ILE A 20 31.004 -1.251 -2.533 1.00 0.00 C ATOM 326 O ILE A 20 30.397 -0.496 -1.774 1.00 0.00 O ATOM 327 CB ILE A 20 30.358 -3.451 -3.624 1.00 0.00 C ATOM 328 CG1 ILE A 20 29.292 -2.645 -4.387 1.00 0.00 C ATOM 329 CG2 ILE A 20 29.729 -4.793 -3.238 1.00 0.00 C ATOM 330 CD1 ILE A 20 29.360 -2.993 -5.877 1.00 0.00 C ATOM 0 H ILE A 20 29.454 -2.574 -0.897 1.00 0.00 H new ATOM 0 HA ILE A 20 31.970 -3.108 -2.269 1.00 0.00 H new ATOM 0 HB ILE A 20 31.212 -3.559 -4.293 1.00 0.00 H new ATOM 0 HG12 ILE A 20 28.300 -2.870 -3.995 1.00 0.00 H new ATOM 0 HG13 ILE A 20 29.456 -1.577 -4.244 1.00 0.00 H new ATOM 0 HG21 ILE A 20 29.319 -5.272 -4.127 1.00 0.00 H new ATOM 0 HG22 ILE A 20 30.489 -5.438 -2.797 1.00 0.00 H new ATOM 0 HG23 ILE A 20 28.931 -4.626 -2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 20 28.605 -2.423 -6.419 1.00 0.00 H new ATOM 0 HD12 ILE A 20 30.349 -2.746 -6.264 1.00 0.00 H new ATOM 0 HD13 ILE A 20 29.174 -4.059 -6.011 1.00 0.00 H new ATOM 342 N GLY A 21 31.566 -0.856 -3.670 1.00 0.00 N ATOM 343 CA GLY A 21 31.487 0.521 -4.146 1.00 0.00 C ATOM 344 C GLY A 21 31.744 1.522 -3.026 1.00 0.00 C ATOM 345 O GLY A 21 32.132 1.136 -1.925 1.00 0.00 O ATOM 0 H GLY A 21 32.088 -1.479 -4.286 1.00 0.00 H new ATOM 0 HA2 GLY A 21 32.215 0.672 -4.943 1.00 0.00 H new ATOM 0 HA3 GLY A 21 30.502 0.701 -4.576 1.00 0.00 H new ATOM 349 N TYR A 22 31.749 2.804 -3.383 1.00 0.00 N ATOM 350 CA TYR A 22 32.125 3.869 -2.457 1.00 0.00 C ATOM 351 C TYR A 22 31.015 4.917 -2.408 1.00 0.00 C ATOM 352 O TYR A 22 30.155 4.941 -3.288 1.00 0.00 O ATOM 353 CB TYR A 22 33.457 4.484 -2.909 1.00 0.00 C ATOM 354 CG TYR A 22 34.334 4.810 -1.722 1.00 0.00 C ATOM 355 CD1 TYR A 22 34.202 6.042 -1.072 1.00 0.00 C ATOM 356 CD2 TYR A 22 35.169 3.824 -1.182 1.00 0.00 C ATOM 357 CE1 TYR A 22 34.967 6.319 0.067 1.00 0.00 C ATOM 358 CE2 TYR A 22 35.947 4.105 -0.052 1.00 0.00 C ATOM 359 CZ TYR A 22 35.848 5.354 0.571 1.00 0.00 C ATOM 360 OH TYR A 22 36.616 5.635 1.684 1.00 0.00 O ATOM 0 H TYR A 22 31.495 3.132 -4.315 1.00 0.00 H new ATOM 0 HA TYR A 22 32.256 3.468 -1.452 1.00 0.00 H new ATOM 0 HB2 TYR A 22 33.976 3.790 -3.570 1.00 0.00 H new ATOM 0 HB3 TYR A 22 33.267 5.390 -3.485 1.00 0.00 H new ATOM 0 HD1 TYR A 22 33.509 6.780 -1.449 1.00 0.00 H new ATOM 0 HD2 TYR A 22 35.213 2.846 -1.638 1.00 0.00 H new ATOM 0 HE1 TYR A 22 34.878 7.277 0.557 1.00 0.00 H new ATOM 0 HE2 TYR A 22 36.623 3.358 0.338 1.00 0.00 H new ATOM 0 HH TYR A 22 37.172 4.858 1.903 1.00 0.00 H new ATOM 370 N CYS A 23 30.874 5.576 -1.261 1.00 0.00 N ATOM 371 CA CYS A 23 29.828 6.578 -1.059 1.00 0.00 C ATOM 372 C CYS A 23 30.328 7.620 -0.060 1.00 0.00 C ATOM 373 O CYS A 23 31.539 7.767 0.106 1.00 0.00 O ATOM 374 CB CYS A 23 28.512 5.927 -0.606 1.00 0.00 C ATOM 375 SG CYS A 23 27.655 5.264 -2.060 1.00 0.00 S ATOM 0 H CYS A 23 31.476 5.433 -0.450 1.00 0.00 H new ATOM 0 HA CYS A 23 29.611 7.076 -2.004 1.00 0.00 H new ATOM 0 HB2 CYS A 23 28.712 5.130 0.110 1.00 0.00 H new ATOM 0 HB3 CYS A 23 27.884 6.660 -0.099 1.00 0.00 H new ATOM 380 N ARG A 24 29.457 8.556 0.304 1.00 0.00 N ATOM 381 CA ARG A 24 29.869 9.774 0.997 1.00 0.00 C ATOM 382 C ARG A 24 30.160 9.481 2.465 1.00 0.00 C ATOM 383 O ARG A 24 30.085 8.317 2.852 1.00 0.00 O ATOM 384 CB ARG A 24 28.740 10.802 0.910 1.00 0.00 C ATOM 385 CG ARG A 24 27.524 10.279 1.681 1.00 0.00 C ATOM 386 CD ARG A 24 26.313 11.178 1.427 1.00 0.00 C ATOM 387 NE ARG A 24 25.188 10.720 2.234 1.00 0.00 N ATOM 388 CZ ARG A 24 25.031 11.124 3.490 1.00 0.00 C ATOM 389 NH1 ARG A 24 26.045 11.616 4.148 1.00 0.00 N ATOM 390 NH2 ARG A 24 23.855 11.068 4.053 1.00 0.00 N ATOM 0 H ARG A 24 28.454 8.494 0.129 1.00 0.00 H new ATOM 0 HA ARG A 24 30.773 10.160 0.527 1.00 0.00 H new ATOM 0 HB2 ARG A 24 29.067 11.755 1.325 1.00 0.00 H new ATOM 0 HB3 ARG A 24 28.475 10.982 -0.132 1.00 0.00 H new ATOM 0 HG2 ARG A 24 27.300 9.258 1.372 1.00 0.00 H new ATOM 0 HG3 ARG A 24 27.746 10.248 2.748 1.00 0.00 H new ATOM 0 HD2 ARG A 24 26.556 12.211 1.676 1.00 0.00 H new ATOM 0 HD3 ARG A 24 26.048 11.158 0.370 1.00 0.00 H new ATOM 0 HE ARG A 24 24.509 10.077 1.827 1.00 0.00 H new ATOM 0 HH11 ARG A 24 26.957 11.690 3.698 1.00 0.00 H new ATOM 0 HH12 ARG A 24 25.925 11.926 5.112 1.00 0.00 H new ATOM 0 HH21 ARG A 24 23.055 10.714 3.529 1.00 0.00 H new ATOM 0 HH22 ARG A 24 23.736 11.378 5.017 1.00 0.00 H new ATOM 404 N ASN A 25 30.866 10.408 3.108 1.00 0.00 N ATOM 405 CA ASN A 25 31.177 10.303 4.532 1.00 0.00 C ATOM 406 C ASN A 25 31.503 8.860 4.910 1.00 0.00 C ATOM 407 O ASN A 25 31.074 8.369 5.954 1.00 0.00 O ATOM 408 CB ASN A 25 29.995 10.819 5.361 1.00 0.00 C ATOM 409 CG ASN A 25 30.011 12.342 5.461 1.00 0.00 C ATOM 410 OD1 ASN A 25 31.055 12.966 5.276 1.00 0.00 O ATOM 411 ND2 ASN A 25 28.969 12.958 5.950 1.00 0.00 N ATOM 0 H ASN A 25 31.236 11.247 2.661 1.00 0.00 H new ATOM 0 HA ASN A 25 32.054 10.914 4.744 1.00 0.00 H new ATOM 0 HB2 ASN A 25 29.059 10.492 4.907 1.00 0.00 H new ATOM 0 HB3 ASN A 25 30.033 10.386 6.361 1.00 0.00 H new ATOM 0 HD21 ASN A 25 29.023 13.951 6.176 1.00 0.00 H new ATOM 0 HD22 ASN A 25 28.101 12.446 6.106 1.00 0.00 H new ATOM 418 N GLY A 26 32.471 8.290 4.200 1.00 0.00 N ATOM 419 CA GLY A 26 32.978 6.966 4.540 1.00 0.00 C ATOM 420 C GLY A 26 31.890 5.903 4.416 1.00 0.00 C ATOM 421 O GLY A 26 31.855 4.944 5.187 1.00 0.00 O ATOM 0 H GLY A 26 32.918 8.721 3.391 1.00 0.00 H new ATOM 0 HA2 GLY A 26 33.811 6.714 3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 26 33.366 6.974 5.559 1.00 0.00 H new ATOM 425 N LYS A 27 31.017 6.060 3.427 1.00 0.00 N ATOM 426 CA LYS A 27 29.952 5.095 3.177 1.00 0.00 C ATOM 427 C LYS A 27 30.301 4.302 1.920 1.00 0.00 C ATOM 428 O LYS A 27 31.060 4.782 1.079 1.00 0.00 O ATOM 429 CB LYS A 27 28.627 5.837 2.980 1.00 0.00 C ATOM 430 CG LYS A 27 28.358 6.816 4.133 1.00 0.00 C ATOM 431 CD LYS A 27 27.439 6.199 5.191 1.00 0.00 C ATOM 432 CE LYS A 27 27.406 7.106 6.423 1.00 0.00 C ATOM 433 NZ LYS A 27 26.588 6.467 7.492 1.00 0.00 N ATOM 0 H LYS A 27 31.026 6.850 2.782 1.00 0.00 H new ATOM 0 HA LYS A 27 29.851 4.416 4.023 1.00 0.00 H new ATOM 0 HB2 LYS A 27 28.650 6.381 2.036 1.00 0.00 H new ATOM 0 HB3 LYS A 27 27.811 5.117 2.914 1.00 0.00 H new ATOM 0 HG2 LYS A 27 29.302 7.105 4.594 1.00 0.00 H new ATOM 0 HG3 LYS A 27 27.903 7.726 3.741 1.00 0.00 H new ATOM 0 HD2 LYS A 27 26.433 6.076 4.789 1.00 0.00 H new ATOM 0 HD3 LYS A 27 27.796 5.206 5.465 1.00 0.00 H new ATOM 0 HE2 LYS A 27 28.419 7.284 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 27 26.986 8.077 6.161 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 26.567 7.085 8.329 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 25.619 6.319 7.146 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 27.007 5.551 7.749 1.00 0.00 H new ATOM 447 N LYS A 28 29.749 3.101 1.778 1.00 0.00 N ATOM 448 CA LYS A 28 30.025 2.270 0.609 1.00 0.00 C ATOM 449 C LYS A 28 28.716 1.764 0.019 1.00 0.00 C ATOM 450 O LYS A 28 27.850 1.365 0.796 1.00 0.00 O ATOM 451 CB LYS A 28 30.908 1.089 1.017 1.00 0.00 C ATOM 452 CG LYS A 28 32.139 1.613 1.761 1.00 0.00 C ATOM 453 CD LYS A 28 33.028 0.458 2.232 1.00 0.00 C ATOM 454 CE LYS A 28 32.552 -0.075 3.587 1.00 0.00 C ATOM 455 NZ LYS A 28 33.075 0.798 4.675 1.00 0.00 N ATOM 0 H LYS A 28 29.111 2.682 2.454 1.00 0.00 H new ATOM 0 HA LYS A 28 30.547 2.862 -0.143 1.00 0.00 H new ATOM 0 HB2 LYS A 28 30.348 0.404 1.654 1.00 0.00 H new ATOM 0 HB3 LYS A 28 31.214 0.527 0.135 1.00 0.00 H new ATOM 0 HG2 LYS A 28 32.710 2.273 1.108 1.00 0.00 H new ATOM 0 HG3 LYS A 28 31.824 2.208 2.619 1.00 0.00 H new ATOM 0 HD2 LYS A 28 33.012 -0.344 1.494 1.00 0.00 H new ATOM 0 HD3 LYS A 28 34.061 0.797 2.312 1.00 0.00 H new ATOM 0 HE2 LYS A 28 31.463 -0.100 3.618 1.00 0.00 H new ATOM 0 HE3 LYS A 28 32.898 -1.099 3.729 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 32.752 0.437 5.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 34.115 0.800 4.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 32.724 1.768 4.541 1.00 0.00 H new ATOM 469 N CYS A 29 28.760 1.311 -1.231 1.00 0.00 N ATOM 470 CA CYS A 29 27.570 0.670 -1.779 1.00 0.00 C ATOM 471 C CYS A 29 27.689 -0.813 -1.486 1.00 0.00 C ATOM 472 O CYS A 29 28.366 -1.561 -2.188 1.00 0.00 O ATOM 473 CB CYS A 29 27.444 0.830 -3.295 1.00 0.00 C ATOM 474 SG CYS A 29 26.684 2.433 -3.645 1.00 0.00 S ATOM 0 H CYS A 29 29.563 1.370 -1.857 1.00 0.00 H new ATOM 0 HA CYS A 29 26.696 1.137 -1.325 1.00 0.00 H new ATOM 0 HB2 CYS A 29 28.425 0.766 -3.765 1.00 0.00 H new ATOM 0 HB3 CYS A 29 26.838 0.025 -3.711 1.00 0.00 H new ATOM 479 N CYS A 30 26.860 -1.243 -0.548 1.00 0.00 N ATOM 480 CA CYS A 30 26.723 -2.670 -0.328 1.00 0.00 C ATOM 481 C CYS A 30 25.709 -3.235 -1.313 1.00 0.00 C ATOM 482 O CYS A 30 24.503 -3.098 -1.115 1.00 0.00 O ATOM 483 CB CYS A 30 26.271 -2.929 1.106 1.00 0.00 C ATOM 484 SG CYS A 30 27.480 -2.259 2.278 1.00 0.00 S ATOM 0 H CYS A 30 26.291 -0.647 0.053 1.00 0.00 H new ATOM 0 HA CYS A 30 27.684 -3.160 -0.484 1.00 0.00 H new ATOM 0 HB2 CYS A 30 25.297 -2.470 1.276 1.00 0.00 H new ATOM 0 HB3 CYS A 30 26.152 -4.000 1.269 1.00 0.00 H new ATOM 489 N VAL A 31 26.194 -4.104 -2.193 1.00 0.00 N ATOM 490 CA VAL A 31 25.306 -4.785 -3.125 1.00 0.00 C ATOM 491 C VAL A 31 24.786 -6.051 -2.458 1.00 0.00 C ATOM 492 O VAL A 31 25.526 -7.012 -2.249 1.00 0.00 O ATOM 493 CB VAL A 31 26.062 -5.112 -4.416 1.00 0.00 C ATOM 494 CG1 VAL A 31 25.441 -6.310 -5.143 1.00 0.00 C ATOM 495 CG2 VAL A 31 26.071 -3.883 -5.333 1.00 0.00 C ATOM 0 H VAL A 31 27.180 -4.350 -2.280 1.00 0.00 H new ATOM 0 HA VAL A 31 24.462 -4.146 -3.385 1.00 0.00 H new ATOM 0 HB VAL A 31 27.085 -5.380 -4.153 1.00 0.00 H new ATOM 0 HG11 VAL A 31 26.003 -6.514 -6.055 1.00 0.00 H new ATOM 0 HG12 VAL A 31 25.472 -7.185 -4.494 1.00 0.00 H new ATOM 0 HG13 VAL A 31 24.406 -6.084 -5.398 1.00 0.00 H new ATOM 0 HG21 VAL A 31 26.610 -4.118 -6.251 1.00 0.00 H new ATOM 0 HG22 VAL A 31 25.046 -3.602 -5.575 1.00 0.00 H new ATOM 0 HG23 VAL A 31 26.564 -3.054 -4.825 1.00 0.00 H new ATOM 505 N ASN A 32 23.464 -6.101 -2.360 1.00 0.00 N ATOM 506 CA ASN A 32 22.798 -7.192 -1.666 1.00 0.00 C ATOM 507 C ASN A 32 23.355 -8.533 -2.127 1.00 0.00 C ATOM 508 O ASN A 32 23.910 -9.229 -1.291 1.00 0.00 O ATOM 509 CB ASN A 32 21.295 -7.115 -1.940 1.00 0.00 C ATOM 510 CG ASN A 32 20.533 -7.929 -0.900 1.00 0.00 C ATOM 511 OD1 ASN A 32 20.552 -9.158 -0.941 1.00 0.00 O ATOM 512 ND2 ASN A 32 19.929 -7.313 0.079 1.00 0.00 N ATOM 513 OXT ASN A 32 23.447 -8.719 -3.329 1.00 0.00 O ATOM 0 H ASN A 32 22.834 -5.400 -2.751 1.00 0.00 H new ATOM 0 HA ASN A 32 22.976 -7.103 -0.594 1.00 0.00 H new ATOM 0 HB2 ASN A 32 20.965 -6.076 -1.914 1.00 0.00 H new ATOM 0 HB3 ASN A 32 21.079 -7.493 -2.939 1.00 0.00 H new ATOM 0 HD21 ASN A 32 19.470 -7.851 0.814 1.00 0.00 H new ATOM 0 HD22 ASN A 32 19.916 -6.294 0.109 1.00 0.00 H new TER 520 ASN A 32