USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=5 USER MOD reduce.3.24.130724 removed 249 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 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.174 X(o=0.17,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ 174:sc= -0.291 (180deg=-0.33) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -160:sc= -0.0763 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -24.944 -4.475 1.449 1.00 0.00 N ATOM 2 CA LEU A 22 -23.711 -4.904 2.158 1.00 0.00 C ATOM 3 C LEU A 22 -23.006 -3.716 2.810 1.00 0.00 C ATOM 4 O LEU A 22 -23.573 -2.629 2.912 1.00 0.00 O ATOM 5 CB LEU A 22 -22.788 -5.589 1.153 1.00 0.00 C ATOM 6 CG LEU A 22 -22.679 -7.104 1.319 1.00 0.00 C ATOM 7 CD1 LEU A 22 -22.338 -7.469 2.758 1.00 0.00 C ATOM 8 CD2 LEU A 22 -23.971 -7.780 0.884 1.00 0.00 C ATOM 0 HA LEU A 22 -23.976 -5.599 2.955 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -23.144 -5.372 0.146 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -21.792 -5.155 1.240 1.00 0.00 H new ATOM 0 HG LEU A 22 -21.871 -7.461 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.266 -8.553 2.851 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -21.385 -7.017 3.032 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -23.119 -7.099 3.422 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -23.877 -8.859 1.008 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -24.796 -7.415 1.495 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.166 -7.551 -0.164 1.00 0.00 H new ATOM 22 N TYR A 23 -21.766 -3.928 3.245 1.00 0.00 N ATOM 23 CA TYR A 23 -20.990 -2.862 3.883 1.00 0.00 C ATOM 24 C TYR A 23 -19.666 -2.638 3.160 1.00 0.00 C ATOM 25 O TYR A 23 -19.250 -3.455 2.338 1.00 0.00 O ATOM 26 CB TYR A 23 -20.717 -3.189 5.356 1.00 0.00 C ATOM 27 CG TYR A 23 -21.906 -3.784 6.076 1.00 0.00 C ATOM 28 CD1 TYR A 23 -22.876 -2.970 6.646 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.059 -5.161 6.184 1.00 0.00 C ATOM 30 CE1 TYR A 23 -23.965 -3.510 7.304 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.145 -5.709 6.841 1.00 0.00 C ATOM 32 CZ TYR A 23 -24.095 -4.879 7.399 1.00 0.00 C ATOM 33 OH TYR A 23 -25.177 -5.421 8.053 1.00 0.00 O ATOM 0 H TYR A 23 -21.278 -4.820 3.169 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.583 -1.950 3.824 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -19.881 -3.886 5.416 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.410 -2.278 5.871 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -22.778 -1.897 6.574 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -21.317 -5.814 5.748 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -24.710 -2.862 7.742 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -23.249 -6.781 6.917 1.00 0.00 H new ATOM 0 HH TYR A 23 -25.118 -6.399 8.029 1.00 0.00 H new ATOM 43 N PRO A 24 -18.979 -1.524 3.466 1.00 0.00 N ATOM 44 CA PRO A 24 -17.699 -1.183 2.864 1.00 0.00 C ATOM 45 C PRO A 24 -16.620 -2.174 3.219 1.00 0.00 C ATOM 46 O PRO A 24 -16.822 -3.068 4.041 1.00 0.00 O ATOM 47 CB PRO A 24 -17.365 0.174 3.502 1.00 0.00 C ATOM 48 CG PRO A 24 -18.661 0.703 3.947 1.00 0.00 C ATOM 49 CD PRO A 24 -19.382 -0.499 4.431 1.00 0.00 C ATOM 0 HA PRO A 24 -17.754 -1.174 1.775 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.675 0.060 4.338 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.889 0.843 2.785 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.541 1.444 4.738 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.196 1.190 3.132 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.092 -0.763 5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.462 -0.349 4.436 1.00 0.00 H new ATOM 57 N ASP A 25 -15.450 -1.964 2.649 1.00 0.00 N ATOM 58 CA ASP A 25 -14.312 -2.785 2.956 1.00 0.00 C ATOM 59 C ASP A 25 -13.950 -2.546 4.404 1.00 0.00 C ATOM 60 O ASP A 25 -13.260 -3.341 5.042 1.00 0.00 O ATOM 61 CB ASP A 25 -13.155 -2.390 2.055 1.00 0.00 C ATOM 62 CG ASP A 25 -12.231 -3.549 1.738 1.00 0.00 C ATOM 63 OD1 ASP A 25 -12.731 -4.598 1.279 1.00 0.00 O ATOM 64 OD2 ASP A 25 -11.008 -3.410 1.950 1.00 0.00 O ATOM 0 H ASP A 25 -15.269 -1.226 1.968 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.535 -3.840 2.795 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.549 -1.981 1.125 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.582 -1.596 2.535 1.00 0.00 H new ATOM 69 N LEU A 26 -14.420 -1.403 4.896 1.00 0.00 N ATOM 70 CA LEU A 26 -14.165 -0.974 6.246 1.00 0.00 C ATOM 71 C LEU A 26 -12.683 -0.664 6.415 1.00 0.00 C ATOM 72 O LEU A 26 -12.233 -0.271 7.491 1.00 0.00 O ATOM 73 CB LEU A 26 -14.635 -2.027 7.252 1.00 0.00 C ATOM 74 CG LEU A 26 -15.813 -1.599 8.129 1.00 0.00 C ATOM 75 CD1 LEU A 26 -16.206 -2.719 9.079 1.00 0.00 C ATOM 76 CD2 LEU A 26 -15.467 -0.336 8.905 1.00 0.00 C ATOM 0 H LEU A 26 -14.991 -0.752 4.357 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.733 -0.065 6.443 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.915 -2.929 6.708 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.797 -2.291 7.898 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.664 -1.384 7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -17.045 -2.396 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.495 -3.599 8.504 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.360 -2.966 9.720 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.316 -0.045 9.524 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.602 -0.525 9.541 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.235 0.468 8.207 1.00 0.00 H new ATOM 88 N SER A 27 -11.934 -0.836 5.326 1.00 0.00 N ATOM 89 CA SER A 27 -10.513 -0.570 5.321 1.00 0.00 C ATOM 90 C SER A 27 -10.064 0.059 4.003 1.00 0.00 C ATOM 91 O SER A 27 -8.866 0.206 3.769 1.00 0.00 O ATOM 92 CB SER A 27 -9.728 -1.848 5.572 1.00 0.00 C ATOM 93 OG SER A 27 -10.161 -2.492 6.758 1.00 0.00 O ATOM 0 H SER A 27 -12.301 -1.162 4.432 1.00 0.00 H new ATOM 0 HA SER A 27 -10.313 0.139 6.124 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.847 -2.523 4.725 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.666 -1.616 5.648 1.00 0.00 H new ATOM 0 HG SER A 27 -9.641 -3.311 6.894 1.00 0.00 H new ATOM 99 N GLU A 28 -11.012 0.446 3.141 1.00 0.00 N ATOM 100 CA GLU A 28 -10.661 1.070 1.870 1.00 0.00 C ATOM 101 C GLU A 28 -10.179 2.509 2.107 1.00 0.00 C ATOM 102 O GLU A 28 -10.526 3.435 1.375 1.00 0.00 O ATOM 103 CB GLU A 28 -11.859 1.068 0.913 1.00 0.00 C ATOM 104 CG GLU A 28 -11.950 -0.171 0.033 1.00 0.00 C ATOM 105 CD GLU A 28 -13.296 -0.297 -0.653 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.988 0.733 -0.796 1.00 0.00 O ATOM 107 OE2 GLU A 28 -13.658 -1.425 -1.048 1.00 0.00 O ATOM 0 H GLU A 28 -12.014 0.338 3.301 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.856 0.493 1.414 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.776 1.155 1.496 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.802 1.950 0.275 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.163 -0.136 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.771 -1.058 0.640 1.00 0.00 H new ATOM 114 N ILE A 29 -9.364 2.648 3.141 1.00 0.00 N ATOM 115 CA ILE A 29 -8.753 3.896 3.578 1.00 0.00 C ATOM 116 C ILE A 29 -7.869 3.475 4.719 1.00 0.00 C ATOM 117 O ILE A 29 -7.927 3.963 5.848 1.00 0.00 O ATOM 118 CB ILE A 29 -9.773 4.961 4.039 1.00 0.00 C ATOM 119 CG1 ILE A 29 -10.887 4.318 4.870 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.354 5.695 2.840 1.00 0.00 C ATOM 121 CD1 ILE A 29 -10.681 4.452 6.363 1.00 0.00 C ATOM 0 H ILE A 29 -9.097 1.857 3.727 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.221 4.380 2.759 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.254 5.685 4.667 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.840 4.774 4.600 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.956 3.261 4.614 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.071 6.441 3.183 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.551 6.187 2.291 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.857 4.983 2.186 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.508 3.974 6.889 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -9.745 3.971 6.646 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -10.642 5.508 6.632 1.00 0.00 H new ATOM 133 N LYS A 30 -7.118 2.467 4.353 1.00 0.00 N ATOM 134 CA LYS A 30 -6.216 1.742 5.200 1.00 0.00 C ATOM 135 C LYS A 30 -5.507 0.751 4.297 1.00 0.00 C ATOM 136 O LYS A 30 -4.291 0.597 4.330 1.00 0.00 O ATOM 137 CB LYS A 30 -7.017 1.018 6.278 1.00 0.00 C ATOM 138 CG LYS A 30 -6.282 0.869 7.599 1.00 0.00 C ATOM 139 CD LYS A 30 -5.587 -0.479 7.703 1.00 0.00 C ATOM 140 CE LYS A 30 -4.550 -0.487 8.814 1.00 0.00 C ATOM 141 NZ LYS A 30 -4.238 -1.869 9.274 1.00 0.00 N ATOM 0 H LYS A 30 -7.123 2.112 3.397 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.499 2.392 5.701 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.947 1.560 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.288 0.028 5.911 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.546 1.667 7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -6.987 0.980 8.423 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -6.327 -1.258 7.889 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.107 -0.716 6.754 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -3.637 -0.007 8.462 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -4.915 0.102 9.655 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -3.527 -1.830 10.032 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -5.104 -2.319 9.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -3.865 -2.424 8.477 1.00 0.00 H new ATOM 155 N LYS A 31 -6.327 0.151 3.433 1.00 0.00 N ATOM 156 CA LYS A 31 -5.903 -0.771 2.412 1.00 0.00 C ATOM 157 C LYS A 31 -5.251 0.045 1.313 1.00 0.00 C ATOM 158 O LYS A 31 -4.120 -0.211 0.900 1.00 0.00 O ATOM 159 CB LYS A 31 -7.132 -1.484 1.857 1.00 0.00 C ATOM 160 CG LYS A 31 -6.826 -2.794 1.164 1.00 0.00 C ATOM 161 CD LYS A 31 -7.342 -2.767 -0.258 1.00 0.00 C ATOM 162 CE LYS A 31 -6.595 -1.741 -1.095 1.00 0.00 C ATOM 163 NZ LYS A 31 -7.190 -1.591 -2.452 1.00 0.00 N ATOM 0 H LYS A 31 -7.335 0.307 3.436 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.206 -1.511 2.807 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.830 -1.671 2.673 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.636 -0.822 1.153 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.751 -2.971 1.165 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.285 -3.618 1.710 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -7.233 -3.755 -0.706 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -8.407 -2.534 -0.257 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.608 -0.778 -0.585 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -5.551 -2.039 -1.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -6.652 -0.883 -2.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.155 -2.504 -2.949 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.179 -1.282 -2.365 1.00 0.00 H new ATOM 177 N GLU A 32 -5.979 1.079 0.894 1.00 0.00 N ATOM 178 CA GLU A 32 -5.496 2.017 -0.110 1.00 0.00 C ATOM 179 C GLU A 32 -4.290 2.729 0.461 1.00 0.00 C ATOM 180 O GLU A 32 -3.366 3.098 -0.258 1.00 0.00 O ATOM 181 CB GLU A 32 -6.571 3.042 -0.486 1.00 0.00 C ATOM 182 CG GLU A 32 -7.976 2.565 -0.218 1.00 0.00 C ATOM 183 CD GLU A 32 -8.927 2.845 -1.366 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.922 3.986 -1.875 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.675 1.924 -1.755 1.00 0.00 O ATOM 0 H GLU A 32 -6.915 1.287 1.241 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.236 1.470 -1.016 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.395 3.962 0.072 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.474 3.287 -1.544 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.958 1.493 -0.022 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.352 3.048 0.684 1.00 0.00 H new ATOM 192 N TYR A 33 -4.299 2.842 1.786 1.00 0.00 N ATOM 193 CA TYR A 33 -3.209 3.433 2.532 1.00 0.00 C ATOM 194 C TYR A 33 -2.133 2.394 2.625 1.00 0.00 C ATOM 195 O TYR A 33 -0.941 2.685 2.728 1.00 0.00 O ATOM 196 CB TYR A 33 -3.712 3.829 3.913 1.00 0.00 C ATOM 197 CG TYR A 33 -2.661 3.760 4.986 1.00 0.00 C ATOM 198 CD1 TYR A 33 -1.683 4.734 5.084 1.00 0.00 C ATOM 199 CD2 TYR A 33 -2.650 2.717 5.894 1.00 0.00 C ATOM 200 CE1 TYR A 33 -0.714 4.673 6.067 1.00 0.00 C ATOM 201 CE2 TYR A 33 -1.687 2.643 6.882 1.00 0.00 C ATOM 202 CZ TYR A 33 -0.721 3.625 6.966 1.00 0.00 C ATOM 203 OH TYR A 33 0.241 3.558 7.948 1.00 0.00 O ATOM 0 H TYR A 33 -5.072 2.522 2.370 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.820 4.329 2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.106 4.844 3.868 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.541 3.177 4.188 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -1.677 5.554 4.381 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.406 1.948 5.830 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.044 5.440 6.132 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.690 1.822 7.584 1.00 0.00 H new ATOM 0 HH TYR A 33 0.093 2.760 8.497 1.00 0.00 H new ATOM 213 N ASN A 34 -2.599 1.171 2.550 1.00 0.00 N ATOM 214 CA ASN A 34 -1.759 0.027 2.580 1.00 0.00 C ATOM 215 C ASN A 34 -1.203 -0.235 1.204 1.00 0.00 C ATOM 216 O ASN A 34 -0.320 -1.073 1.019 1.00 0.00 O ATOM 217 CB ASN A 34 -2.566 -1.167 3.031 1.00 0.00 C ATOM 218 CG ASN A 34 -1.755 -2.159 3.841 1.00 0.00 C ATOM 219 OD1 ASN A 34 -1.875 -2.227 5.064 1.00 0.00 O ATOM 220 ND2 ASN A 34 -0.921 -2.937 3.159 1.00 0.00 N ATOM 0 H ASN A 34 -3.592 0.953 2.465 1.00 0.00 H new ATOM 0 HA ASN A 34 -0.935 0.200 3.272 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.410 -0.823 3.628 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.978 -1.671 2.157 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.349 -3.624 3.649 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.853 -2.847 2.145 1.00 0.00 H new ATOM 227 N VAL A 35 -1.741 0.484 0.237 1.00 0.00 N ATOM 228 CA VAL A 35 -1.318 0.329 -1.120 1.00 0.00 C ATOM 229 C VAL A 35 -0.337 1.404 -1.494 1.00 0.00 C ATOM 230 O VAL A 35 0.752 1.124 -1.972 1.00 0.00 O ATOM 231 CB VAL A 35 -2.503 0.333 -2.099 1.00 0.00 C ATOM 232 CG1 VAL A 35 -2.024 0.148 -3.532 1.00 0.00 C ATOM 233 CG2 VAL A 35 -3.512 -0.744 -1.722 1.00 0.00 C ATOM 0 H VAL A 35 -2.473 1.180 0.378 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.831 -0.643 -1.194 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.997 1.303 -2.033 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.881 0.154 -4.206 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.348 0.961 -3.797 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.500 -0.804 -3.620 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.344 -0.726 -2.426 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.030 -1.721 -1.754 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.885 -0.557 -0.715 1.00 0.00 H new ATOM 243 N LYS A 36 -0.723 2.630 -1.246 1.00 0.00 N ATOM 244 CA LYS A 36 0.123 3.756 -1.520 1.00 0.00 C ATOM 245 C LYS A 36 1.399 3.640 -0.711 1.00 0.00 C ATOM 246 O LYS A 36 2.450 4.162 -1.076 1.00 0.00 O ATOM 247 CB LYS A 36 -0.589 5.052 -1.177 1.00 0.00 C ATOM 248 CG LYS A 36 -1.404 4.987 0.104 1.00 0.00 C ATOM 249 CD LYS A 36 -2.803 5.534 -0.121 1.00 0.00 C ATOM 250 CE LYS A 36 -2.834 7.051 -0.034 1.00 0.00 C ATOM 251 NZ LYS A 36 -4.064 7.544 0.647 1.00 0.00 N ATOM 0 H LYS A 36 -1.631 2.872 -0.849 1.00 0.00 H new ATOM 0 HA LYS A 36 0.365 3.764 -2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.150 5.848 -1.086 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.248 5.322 -2.002 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.463 3.955 0.451 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.906 5.559 0.887 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -3.164 5.218 -1.100 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.482 5.113 0.620 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.955 7.402 0.506 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -2.781 7.473 -1.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.046 8.583 0.686 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.903 7.231 0.118 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -4.102 7.162 1.614 1.00 0.00 H new ATOM 265 N GLU A 37 1.266 2.920 0.387 1.00 0.00 N ATOM 266 CA GLU A 37 2.368 2.659 1.306 1.00 0.00 C ATOM 267 C GLU A 37 3.242 1.542 0.745 1.00 0.00 C ATOM 268 O GLU A 37 4.427 1.433 1.055 1.00 0.00 O ATOM 269 CB GLU A 37 1.820 2.265 2.681 1.00 0.00 C ATOM 270 CG GLU A 37 2.889 1.855 3.680 1.00 0.00 C ATOM 271 CD GLU A 37 3.596 3.045 4.300 1.00 0.00 C ATOM 272 OE1 GLU A 37 2.910 4.034 4.634 1.00 0.00 O ATOM 273 OE2 GLU A 37 4.834 2.988 4.451 1.00 0.00 O ATOM 0 H GLU A 37 0.384 2.494 0.672 1.00 0.00 H new ATOM 0 HA GLU A 37 2.969 3.561 1.418 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.258 3.104 3.090 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.118 1.441 2.558 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.433 1.257 4.469 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.622 1.221 3.182 1.00 0.00 H new ATOM 280 N LYS A 38 2.625 0.732 -0.104 1.00 0.00 N ATOM 281 CA LYS A 38 3.272 -0.373 -0.764 1.00 0.00 C ATOM 282 C LYS A 38 3.696 0.051 -2.134 1.00 0.00 C ATOM 283 O LYS A 38 4.727 -0.365 -2.638 1.00 0.00 O ATOM 284 CB LYS A 38 2.315 -1.546 -0.864 1.00 0.00 C ATOM 285 CG LYS A 38 2.880 -2.727 -1.629 1.00 0.00 C ATOM 286 CD LYS A 38 4.114 -3.293 -0.948 1.00 0.00 C ATOM 287 CE LYS A 38 4.424 -4.700 -1.434 1.00 0.00 C ATOM 288 NZ LYS A 38 4.324 -4.811 -2.916 1.00 0.00 N ATOM 0 H LYS A 38 1.641 0.834 -0.352 1.00 0.00 H new ATOM 0 HA LYS A 38 4.146 -0.678 -0.189 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.045 -1.870 0.141 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.397 -1.215 -1.350 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.121 -3.504 -1.713 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.133 -2.418 -2.643 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.968 -2.644 -1.142 1.00 0.00 H new ATOM 0 HD3 LYS A 38 3.962 -3.305 0.131 1.00 0.00 H new ATOM 0 HE2 LYS A 38 5.428 -4.981 -1.116 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.734 -5.405 -0.970 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 4.640 -5.755 -3.216 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 3.336 -4.668 -3.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 4.925 -4.088 -3.360 1.00 0.00 H new ATOM 302 N ASP A 39 2.910 0.930 -2.704 1.00 0.00 N ATOM 303 CA ASP A 39 3.219 1.471 -4.009 1.00 0.00 C ATOM 304 C ASP A 39 4.340 2.483 -3.862 1.00 0.00 C ATOM 305 O ASP A 39 4.662 3.226 -4.789 1.00 0.00 O ATOM 306 CB ASP A 39 1.987 2.120 -4.619 1.00 0.00 C ATOM 307 CG ASP A 39 1.897 1.904 -6.117 1.00 0.00 C ATOM 308 OD1 ASP A 39 1.728 0.741 -6.540 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.993 2.898 -6.867 1.00 0.00 O ATOM 0 H ASP A 39 2.051 1.288 -2.287 1.00 0.00 H new ATOM 0 HA ASP A 39 3.537 0.669 -4.675 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.094 1.715 -4.143 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.003 3.190 -4.410 1.00 0.00 H new ATOM 314 N GLN A 40 4.912 2.509 -2.662 1.00 0.00 N ATOM 315 CA GLN A 40 5.973 3.420 -2.335 1.00 0.00 C ATOM 316 C GLN A 40 7.143 2.725 -1.624 1.00 0.00 C ATOM 317 O GLN A 40 8.189 3.336 -1.408 1.00 0.00 O ATOM 318 CB GLN A 40 5.395 4.541 -1.475 1.00 0.00 C ATOM 319 CG GLN A 40 5.206 4.179 -0.009 1.00 0.00 C ATOM 320 CD GLN A 40 5.617 5.299 0.926 1.00 0.00 C ATOM 321 OE1 GLN A 40 6.539 5.146 1.728 1.00 0.00 O ATOM 322 NE2 GLN A 40 4.934 6.433 0.827 1.00 0.00 N ATOM 0 H GLN A 40 4.643 1.892 -1.896 1.00 0.00 H new ATOM 0 HA GLN A 40 6.384 3.828 -3.259 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.053 5.408 -1.540 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.432 4.840 -1.889 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.160 3.929 0.168 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.790 3.287 0.219 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.177 6.515 0.148 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.166 7.222 1.430 1.00 0.00 H new ATOM 331 N VAL A 41 6.965 1.454 -1.255 1.00 0.00 N ATOM 332 CA VAL A 41 8.018 0.711 -0.567 1.00 0.00 C ATOM 333 C VAL A 41 8.681 -0.306 -1.480 1.00 0.00 C ATOM 334 O VAL A 41 9.903 -0.427 -1.488 1.00 0.00 O ATOM 335 CB VAL A 41 7.489 0.012 0.694 1.00 0.00 C ATOM 336 CG1 VAL A 41 8.535 -0.923 1.287 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.041 1.037 1.725 1.00 0.00 C ATOM 0 H VAL A 41 6.109 0.924 -1.420 1.00 0.00 H new ATOM 0 HA VAL A 41 8.767 1.445 -0.268 1.00 0.00 H new ATOM 0 HB VAL A 41 6.627 -0.590 0.406 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.131 -1.403 2.178 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.800 -1.685 0.554 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.424 -0.352 1.554 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.669 0.523 2.611 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.885 1.670 2.000 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.247 1.654 1.304 1.00 0.00 H new ATOM 347 N GLU A 42 7.878 -1.033 -2.248 1.00 0.00 N ATOM 348 CA GLU A 42 8.419 -2.040 -3.177 1.00 0.00 C ATOM 349 C GLU A 42 9.686 -1.504 -3.838 1.00 0.00 C ATOM 350 O GLU A 42 10.631 -2.248 -4.105 1.00 0.00 O ATOM 351 CB GLU A 42 7.411 -2.458 -4.269 1.00 0.00 C ATOM 352 CG GLU A 42 6.065 -1.748 -4.232 1.00 0.00 C ATOM 353 CD GLU A 42 5.309 -1.874 -5.540 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.100 -3.017 -5.998 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.926 -0.829 -6.107 1.00 0.00 O ATOM 0 H GLU A 42 6.861 -0.952 -2.253 1.00 0.00 H new ATOM 0 HA GLU A 42 8.640 -2.928 -2.585 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.866 -2.283 -5.244 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.237 -3.531 -4.186 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.461 -2.162 -3.425 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.220 -0.693 -4.005 1.00 0.00 H new ATOM 362 N ASP A 43 9.698 -0.194 -4.072 1.00 0.00 N ATOM 363 CA ASP A 43 10.842 0.477 -4.670 1.00 0.00 C ATOM 364 C ASP A 43 12.074 0.258 -3.830 1.00 0.00 C ATOM 365 O ASP A 43 13.135 -0.111 -4.325 1.00 0.00 O ATOM 366 CB ASP A 43 10.567 1.975 -4.780 1.00 0.00 C ATOM 367 CG ASP A 43 10.243 2.408 -6.197 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.561 1.643 -6.910 1.00 0.00 O ATOM 369 OD2 ASP A 43 10.672 3.513 -6.592 1.00 0.00 O ATOM 0 H ASP A 43 8.919 0.426 -3.853 1.00 0.00 H new ATOM 0 HA ASP A 43 11.007 0.062 -5.664 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.736 2.237 -4.125 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.438 2.527 -4.426 1.00 0.00 H new ATOM 374 N LEU A 44 11.923 0.494 -2.551 1.00 0.00 N ATOM 375 CA LEU A 44 13.012 0.337 -1.625 1.00 0.00 C ATOM 376 C LEU A 44 13.429 -1.118 -1.464 1.00 0.00 C ATOM 377 O LEU A 44 14.132 -1.485 -0.522 1.00 0.00 O ATOM 378 CB LEU A 44 12.678 0.986 -0.293 1.00 0.00 C ATOM 379 CG LEU A 44 12.984 2.478 -0.277 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.726 3.285 0.010 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.074 2.798 0.735 1.00 0.00 C ATOM 0 H LEU A 44 11.047 0.798 -2.126 1.00 0.00 H new ATOM 0 HA LEU A 44 13.877 0.853 -2.042 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.621 0.833 -0.073 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.243 0.494 0.499 1.00 0.00 H new ATOM 0 HG LEU A 44 13.349 2.758 -1.265 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.969 4.348 0.017 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.983 3.087 -0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.324 2.999 0.982 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.274 3.869 0.727 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.746 2.497 1.730 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.983 2.257 0.474 1.00 0.00 H new ATOM 393 N ASN A 45 13.026 -1.921 -2.428 1.00 0.00 N ATOM 394 CA ASN A 45 13.373 -3.327 -2.478 1.00 0.00 C ATOM 395 C ASN A 45 13.816 -3.667 -3.899 1.00 0.00 C ATOM 396 O ASN A 45 14.701 -4.496 -4.113 1.00 0.00 O ATOM 397 CB ASN A 45 12.187 -4.196 -2.054 1.00 0.00 C ATOM 398 CG ASN A 45 12.540 -5.146 -0.927 1.00 0.00 C ATOM 399 OD1 ASN A 45 12.972 -6.274 -1.162 1.00 0.00 O ATOM 400 ND2 ASN A 45 12.355 -4.693 0.308 1.00 0.00 N ATOM 0 H ASN A 45 12.443 -1.613 -3.206 1.00 0.00 H new ATOM 0 HA ASN A 45 14.187 -3.529 -1.782 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.364 -3.554 -1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 45 11.835 -4.769 -2.912 1.00 0.00 H new ATOM 0 HD21 ASN A 45 12.573 -5.288 1.107 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.995 -3.750 0.457 1.00 0.00 H new ATOM 407 N LEU A 46 13.207 -2.977 -4.862 1.00 0.00 N ATOM 408 CA LEU A 46 13.530 -3.138 -6.270 1.00 0.00 C ATOM 409 C LEU A 46 13.842 -1.770 -6.855 1.00 0.00 C ATOM 410 O LEU A 46 13.392 -1.412 -7.943 1.00 0.00 O ATOM 411 CB LEU A 46 12.370 -3.785 -7.020 1.00 0.00 C ATOM 412 CG LEU A 46 12.775 -4.715 -8.167 1.00 0.00 C ATOM 413 CD1 LEU A 46 12.809 -6.160 -7.695 1.00 0.00 C ATOM 414 CD2 LEU A 46 11.821 -4.559 -9.342 1.00 0.00 C ATOM 0 H LEU A 46 12.475 -2.290 -4.683 1.00 0.00 H new ATOM 0 HA LEU A 46 14.396 -3.792 -6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.769 -4.352 -6.309 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.732 -2.997 -7.420 1.00 0.00 H new ATOM 0 HG LEU A 46 13.776 -4.438 -8.498 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.099 -6.807 -8.523 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.532 -6.261 -6.885 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.821 -6.449 -7.337 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.124 -5.227 -10.148 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.809 -4.809 -9.024 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.846 -3.529 -9.697 1.00 0.00 H new ATOM 426 N ASP A 47 14.616 -1.019 -6.090 1.00 0.00 N ATOM 427 CA ASP A 47 15.028 0.326 -6.449 1.00 0.00 C ATOM 428 C ASP A 47 15.925 0.940 -5.373 1.00 0.00 C ATOM 429 O ASP A 47 16.722 1.830 -5.652 1.00 0.00 O ATOM 430 CB ASP A 47 13.817 1.228 -6.659 1.00 0.00 C ATOM 431 CG ASP A 47 13.378 1.298 -8.109 1.00 0.00 C ATOM 432 OD1 ASP A 47 14.091 0.748 -8.974 1.00 0.00 O ATOM 433 OD2 ASP A 47 12.319 1.903 -8.379 1.00 0.00 O ATOM 0 H ASP A 47 14.980 -1.331 -5.190 1.00 0.00 H new ATOM 0 HA ASP A 47 15.591 0.250 -7.379 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.989 0.863 -6.051 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.053 2.232 -6.307 1.00 0.00 H new ATOM 438 N SER A 48 15.788 0.481 -4.137 1.00 0.00 N ATOM 439 CA SER A 48 16.611 1.011 -3.059 1.00 0.00 C ATOM 440 C SER A 48 17.935 0.265 -2.994 1.00 0.00 C ATOM 441 O SER A 48 18.934 0.793 -2.508 1.00 0.00 O ATOM 442 CB SER A 48 15.920 0.898 -1.703 1.00 0.00 C ATOM 443 OG SER A 48 16.845 1.073 -0.643 1.00 0.00 O ATOM 0 H SER A 48 15.127 -0.244 -3.858 1.00 0.00 H new ATOM 0 HA SER A 48 16.779 2.066 -3.276 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.132 1.647 -1.629 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.442 -0.078 -1.615 1.00 0.00 H new ATOM 0 HG SER A 48 16.474 0.694 0.181 1.00 0.00 H new ATOM 449 N LEU A 49 17.936 -0.974 -3.479 1.00 0.00 N ATOM 450 CA LEU A 49 19.147 -1.786 -3.470 1.00 0.00 C ATOM 451 C LEU A 49 19.723 -1.912 -4.872 1.00 0.00 C ATOM 452 O LEU A 49 20.595 -2.738 -5.138 1.00 0.00 O ATOM 453 CB LEU A 49 18.868 -3.167 -2.875 1.00 0.00 C ATOM 454 CG LEU A 49 18.108 -4.126 -3.794 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.079 -5.003 -4.569 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.140 -4.981 -2.990 1.00 0.00 C ATOM 0 H LEU A 49 17.118 -1.434 -3.880 1.00 0.00 H new ATOM 0 HA LEU A 49 19.885 -1.287 -2.843 1.00 0.00 H new ATOM 0 HB2 LEU A 49 19.818 -3.626 -2.601 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.298 -3.041 -1.955 1.00 0.00 H new ATOM 0 HG LEU A 49 17.533 -3.536 -4.508 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.521 -5.679 -5.217 1.00 0.00 H new ATOM 0 HD12 LEU A 49 19.732 -4.375 -5.175 1.00 0.00 H new ATOM 0 HD13 LEU A 49 19.681 -5.585 -3.871 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.608 -5.657 -3.660 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.694 -5.562 -2.253 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.423 -4.337 -2.480 1.00 0.00 H new ATOM 468 N TRP A 50 19.233 -1.059 -5.749 1.00 0.00 N ATOM 469 CA TRP A 50 19.677 -1.007 -7.132 1.00 0.00 C ATOM 470 C TRP A 50 20.330 0.351 -7.395 1.00 0.00 C ATOM 471 O TRP A 50 20.835 0.629 -8.482 1.00 0.00 O ATOM 472 CB TRP A 50 18.466 -1.225 -8.057 1.00 0.00 C ATOM 473 CG TRP A 50 17.793 0.042 -8.458 1.00 0.00 C ATOM 474 CD1 TRP A 50 17.771 1.169 -7.727 1.00 0.00 C ATOM 475 CD2 TRP A 50 17.047 0.310 -9.648 1.00 0.00 C ATOM 476 NE1 TRP A 50 17.070 2.153 -8.380 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.612 1.646 -9.569 1.00 0.00 C ATOM 478 CE3 TRP A 50 16.710 -0.443 -10.771 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.856 2.244 -10.574 1.00 0.00 C ATOM 480 CZ3 TRP A 50 15.958 0.149 -11.769 1.00 0.00 C ATOM 481 CH2 TRP A 50 15.540 1.482 -11.666 1.00 0.00 C ATOM 0 H TRP A 50 18.510 -0.376 -5.523 1.00 0.00 H new ATOM 0 HA TRP A 50 20.410 -1.790 -7.329 1.00 0.00 H new ATOM 0 HB2 TRP A 50 18.793 -1.754 -8.953 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.744 -1.868 -7.553 1.00 0.00 H new ATOM 0 HD1 TRP A 50 18.239 1.285 -6.761 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.916 3.102 -8.038 1.00 0.00 H new ATOM 0 HE3 TRP A 50 17.030 -1.471 -10.860 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.531 3.271 -10.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 15.688 -0.426 -12.643 1.00 0.00 H new ATOM 0 HH2 TRP A 50 14.957 1.917 -12.464 1.00 0.00 H new ATOM 492 N GLU A 51 20.252 1.198 -6.373 1.00 0.00 N ATOM 493 CA GLU A 51 20.752 2.554 -6.411 1.00 0.00 C ATOM 494 C GLU A 51 22.206 2.629 -5.950 1.00 0.00 C ATOM 495 O GLU A 51 22.811 1.559 -5.728 1.00 0.00 O ATOM 496 CB GLU A 51 19.845 3.388 -5.504 1.00 0.00 C ATOM 497 CG GLU A 51 19.985 3.034 -4.039 1.00 0.00 C ATOM 498 CD GLU A 51 19.228 3.984 -3.131 1.00 0.00 C ATOM 499 OE1 GLU A 51 18.043 4.257 -3.412 1.00 0.00 O ATOM 500 OE2 GLU A 51 19.822 4.454 -2.137 1.00 0.00 O ATOM 501 OXT GLU A 51 22.726 3.756 -5.815 1.00 0.00 O ATOM 0 H GLU A 51 19.829 0.948 -5.479 1.00 0.00 H new ATOM 0 HA GLU A 51 20.737 2.935 -7.432 1.00 0.00 H new ATOM 0 HB2 GLU A 51 20.077 4.444 -5.640 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.808 3.247 -5.808 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.622 2.019 -3.879 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.040 3.042 -3.767 1.00 0.00 H new TER 508 GLU A 51