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= 0.949 K(o=0.95,f=-0.01) USER MOD Single : A 36 LYS NZ :NH3+ 167:sc= -0.983 (180deg=-1.49) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc=-0.000922 X(o=-0.00092,f=0.25) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -23.021 -7.043 0.355 1.00 0.00 N ATOM 2 CA LEU A 22 -21.605 -7.162 0.796 1.00 0.00 C ATOM 3 C LEU A 22 -21.211 -5.993 1.698 1.00 0.00 C ATOM 4 O LEU A 22 -22.046 -5.156 2.040 1.00 0.00 O ATOM 5 CB LEU A 22 -20.704 -7.203 -0.441 1.00 0.00 C ATOM 6 CG LEU A 22 -21.076 -6.208 -1.540 1.00 0.00 C ATOM 7 CD1 LEU A 22 -20.126 -5.021 -1.533 1.00 0.00 C ATOM 8 CD2 LEU A 22 -21.073 -6.888 -2.902 1.00 0.00 C ATOM 0 HA LEU A 22 -21.487 -8.079 1.373 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -19.677 -7.013 -0.131 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -20.730 -8.210 -0.858 1.00 0.00 H new ATOM 0 HG LEU A 22 -22.083 -5.841 -1.342 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -20.408 -4.325 -2.323 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -20.181 -4.517 -0.568 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -19.107 -5.369 -1.703 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -21.340 -6.163 -3.671 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -20.079 -7.286 -3.108 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -21.797 -7.702 -2.904 1.00 0.00 H new ATOM 22 N TYR A 23 -19.935 -5.936 2.077 1.00 0.00 N ATOM 23 CA TYR A 23 -19.444 -4.855 2.937 1.00 0.00 C ATOM 24 C TYR A 23 -18.236 -4.160 2.317 1.00 0.00 C ATOM 25 O TYR A 23 -17.630 -4.669 1.374 1.00 0.00 O ATOM 26 CB TYR A 23 -19.065 -5.383 4.326 1.00 0.00 C ATOM 27 CG TYR A 23 -20.002 -6.447 4.852 1.00 0.00 C ATOM 28 CD1 TYR A 23 -21.200 -6.101 5.465 1.00 0.00 C ATOM 29 CD2 TYR A 23 -19.689 -7.795 4.737 1.00 0.00 C ATOM 30 CE1 TYR A 23 -22.060 -7.069 5.948 1.00 0.00 C ATOM 31 CE2 TYR A 23 -20.544 -8.769 5.217 1.00 0.00 C ATOM 32 CZ TYR A 23 -21.727 -8.401 5.822 1.00 0.00 C ATOM 33 OH TYR A 23 -22.580 -9.368 6.302 1.00 0.00 O ATOM 0 H TYR A 23 -19.226 -6.618 1.806 1.00 0.00 H new ATOM 0 HA TYR A 23 -20.255 -4.134 3.038 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -18.054 -5.790 4.286 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -19.046 -4.550 5.028 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -21.463 -5.058 5.566 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -18.763 -8.087 4.265 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -22.988 -6.784 6.422 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -20.287 -9.813 5.119 1.00 0.00 H new ATOM 0 HH TYR A 23 -22.198 -10.254 6.133 1.00 0.00 H new ATOM 43 N PRO A 24 -17.861 -2.987 2.857 1.00 0.00 N ATOM 44 CA PRO A 24 -16.718 -2.218 2.384 1.00 0.00 C ATOM 45 C PRO A 24 -15.425 -2.971 2.572 1.00 0.00 C ATOM 46 O PRO A 24 -15.414 -4.089 3.088 1.00 0.00 O ATOM 47 CB PRO A 24 -16.730 -0.986 3.302 1.00 0.00 C ATOM 48 CG PRO A 24 -18.115 -0.898 3.783 1.00 0.00 C ATOM 49 CD PRO A 24 -18.504 -2.313 3.988 1.00 0.00 C ATOM 0 HA PRO A 24 -16.784 -1.989 1.320 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.029 -1.101 4.129 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.440 -0.085 2.761 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.182 -0.326 4.708 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.761 -0.406 3.056 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.149 -2.697 4.944 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -19.586 -2.442 3.975 1.00 0.00 H new ATOM 57 N ASP A 25 -14.326 -2.331 2.216 1.00 0.00 N ATOM 58 CA ASP A 25 -13.037 -2.922 2.420 1.00 0.00 C ATOM 59 C ASP A 25 -12.744 -2.877 3.904 1.00 0.00 C ATOM 60 O ASP A 25 -11.775 -3.459 4.392 1.00 0.00 O ATOM 61 CB ASP A 25 -11.998 -2.141 1.634 1.00 0.00 C ATOM 62 CG ASP A 25 -10.837 -3.002 1.176 1.00 0.00 C ATOM 63 OD1 ASP A 25 -10.630 -4.083 1.767 1.00 0.00 O ATOM 64 OD2 ASP A 25 -10.134 -2.595 0.227 1.00 0.00 O ATOM 0 H ASP A 25 -14.311 -1.406 1.787 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.013 -3.955 2.073 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -12.473 -1.687 0.764 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -11.619 -1.327 2.251 1.00 0.00 H new ATOM 69 N LEU A 26 -13.600 -2.134 4.610 1.00 0.00 N ATOM 70 CA LEU A 26 -13.474 -1.939 6.031 1.00 0.00 C ATOM 71 C LEU A 26 -12.151 -1.242 6.324 1.00 0.00 C ATOM 72 O LEU A 26 -11.758 -1.066 7.477 1.00 0.00 O ATOM 73 CB LEU A 26 -13.589 -3.271 6.771 1.00 0.00 C ATOM 74 CG LEU A 26 -14.843 -3.419 7.636 1.00 0.00 C ATOM 75 CD1 LEU A 26 -14.939 -4.827 8.201 1.00 0.00 C ATOM 76 CD2 LEU A 26 -14.839 -2.391 8.758 1.00 0.00 C ATOM 0 H LEU A 26 -14.400 -1.654 4.197 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.286 -1.306 6.388 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -13.572 -4.079 6.040 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -12.711 -3.395 7.405 1.00 0.00 H new ATOM 0 HG LEU A 26 -15.717 -3.242 7.009 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -15.837 -4.913 8.813 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.988 -5.545 7.382 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -14.061 -5.034 8.813 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -15.737 -2.510 9.364 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -13.958 -2.538 9.383 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -14.819 -1.388 8.332 1.00 0.00 H new ATOM 88 N SER A 27 -11.479 -0.839 5.244 1.00 0.00 N ATOM 89 CA SER A 27 -10.211 -0.151 5.327 1.00 0.00 C ATOM 90 C SER A 27 -10.321 1.246 4.724 1.00 0.00 C ATOM 91 O SER A 27 -10.209 2.238 5.438 1.00 0.00 O ATOM 92 CB SER A 27 -9.128 -0.947 4.598 1.00 0.00 C ATOM 93 OG SER A 27 -8.595 -1.964 5.428 1.00 0.00 O ATOM 0 H SER A 27 -11.808 -0.986 4.290 1.00 0.00 H new ATOM 0 HA SER A 27 -9.938 -0.059 6.378 1.00 0.00 H new ATOM 0 HB2 SER A 27 -9.546 -1.392 3.695 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.330 -0.276 4.282 1.00 0.00 H new ATOM 0 HG SER A 27 -7.906 -2.459 4.937 1.00 0.00 H new ATOM 99 N GLU A 28 -10.550 1.298 3.402 1.00 0.00 N ATOM 100 CA GLU A 28 -10.682 2.554 2.628 1.00 0.00 C ATOM 101 C GLU A 28 -10.093 3.808 3.326 1.00 0.00 C ATOM 102 O GLU A 28 -10.561 4.927 3.122 1.00 0.00 O ATOM 103 CB GLU A 28 -12.152 2.799 2.313 1.00 0.00 C ATOM 104 CG GLU A 28 -13.033 2.678 3.541 1.00 0.00 C ATOM 105 CD GLU A 28 -13.966 3.861 3.713 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.471 5.007 3.751 1.00 0.00 O ATOM 107 OE2 GLU A 28 -15.192 3.641 3.811 1.00 0.00 O ATOM 0 H GLU A 28 -10.651 0.461 2.828 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.094 2.410 1.721 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.268 3.794 1.882 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.483 2.085 1.559 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.622 1.764 3.471 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.404 2.585 4.426 1.00 0.00 H new ATOM 114 N ILE A 29 -9.074 3.581 4.131 1.00 0.00 N ATOM 115 CA ILE A 29 -8.342 4.588 4.903 1.00 0.00 C ATOM 116 C ILE A 29 -7.454 3.760 5.792 1.00 0.00 C ATOM 117 O ILE A 29 -7.478 3.808 7.022 1.00 0.00 O ATOM 118 CB ILE A 29 -9.239 5.524 5.744 1.00 0.00 C ATOM 119 CG1 ILE A 29 -10.441 4.764 6.310 1.00 0.00 C ATOM 120 CG2 ILE A 29 -9.699 6.714 4.914 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.322 5.608 7.206 1.00 0.00 C ATOM 0 H ILE A 29 -8.708 2.640 4.278 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.810 5.274 4.243 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.649 5.897 6.581 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.039 4.379 5.484 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.083 3.902 6.873 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -10.329 7.361 5.524 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.830 7.274 4.569 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.267 6.360 4.054 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.153 5.005 7.571 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.739 5.972 8.052 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.709 6.456 6.641 1.00 0.00 H new ATOM 133 N LYS A 30 -6.753 2.926 5.067 1.00 0.00 N ATOM 134 CA LYS A 30 -5.870 1.909 5.564 1.00 0.00 C ATOM 135 C LYS A 30 -5.374 1.184 4.324 1.00 0.00 C ATOM 136 O LYS A 30 -4.191 0.916 4.158 1.00 0.00 O ATOM 137 CB LYS A 30 -6.640 0.964 6.485 1.00 0.00 C ATOM 138 CG LYS A 30 -5.812 0.422 7.640 1.00 0.00 C ATOM 139 CD LYS A 30 -6.518 0.608 8.975 1.00 0.00 C ATOM 140 CE LYS A 30 -5.778 1.590 9.869 1.00 0.00 C ATOM 141 NZ LYS A 30 -5.762 1.146 11.290 1.00 0.00 N ATOM 0 H LYS A 30 -6.788 2.943 4.048 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.043 2.313 6.148 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.507 1.489 6.887 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.018 0.127 5.898 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.612 -0.637 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -4.847 0.928 7.665 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.533 0.966 8.803 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.600 -0.354 9.481 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -4.754 1.704 9.513 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -6.250 2.570 9.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.248 1.843 11.866 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.738 1.062 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.288 0.223 11.360 1.00 0.00 H new ATOM 155 N LYS A 31 -6.343 0.975 3.426 1.00 0.00 N ATOM 156 CA LYS A 31 -6.152 0.398 2.119 1.00 0.00 C ATOM 157 C LYS A 31 -5.423 1.427 1.272 1.00 0.00 C ATOM 158 O LYS A 31 -4.360 1.169 0.709 1.00 0.00 O ATOM 159 CB LYS A 31 -7.530 0.135 1.507 1.00 0.00 C ATOM 160 CG LYS A 31 -7.535 -0.924 0.425 1.00 0.00 C ATOM 161 CD LYS A 31 -8.142 -0.373 -0.848 1.00 0.00 C ATOM 162 CE LYS A 31 -7.272 0.722 -1.444 1.00 0.00 C ATOM 163 NZ LYS A 31 -7.954 1.427 -2.564 1.00 0.00 N ATOM 0 H LYS A 31 -7.316 1.218 3.611 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.585 -0.531 2.171 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.216 -0.167 2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.914 1.066 1.091 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -6.517 -1.262 0.233 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.102 -1.793 0.760 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -8.265 -1.178 -1.573 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -9.136 0.022 -0.638 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.012 1.441 -0.668 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.339 0.289 -1.803 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -7.327 2.166 -2.942 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.180 0.746 -3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.832 1.863 -2.216 1.00 0.00 H new ATOM 177 N GLU A 32 -6.009 2.622 1.251 1.00 0.00 N ATOM 178 CA GLU A 32 -5.443 3.767 0.547 1.00 0.00 C ATOM 179 C GLU A 32 -4.126 4.116 1.197 1.00 0.00 C ATOM 180 O GLU A 32 -3.195 4.588 0.549 1.00 0.00 O ATOM 181 CB GLU A 32 -6.389 4.971 0.608 1.00 0.00 C ATOM 182 CG GLU A 32 -7.830 4.583 0.816 1.00 0.00 C ATOM 183 CD GLU A 32 -8.787 5.343 -0.083 1.00 0.00 C ATOM 184 OE1 GLU A 32 -9.055 4.863 -1.204 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.268 6.416 0.336 1.00 0.00 O ATOM 0 H GLU A 32 -6.891 2.822 1.723 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.297 3.512 -0.503 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.076 5.630 1.418 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.303 5.540 -0.318 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.942 3.514 0.635 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.101 4.760 1.857 1.00 0.00 H new ATOM 192 N TYR A 33 -4.053 3.800 2.485 1.00 0.00 N ATOM 193 CA TYR A 33 -2.857 3.994 3.273 1.00 0.00 C ATOM 194 C TYR A 33 -1.939 2.853 2.953 1.00 0.00 C ATOM 195 O TYR A 33 -0.715 2.949 3.034 1.00 0.00 O ATOM 196 CB TYR A 33 -3.234 4.004 4.746 1.00 0.00 C ATOM 197 CG TYR A 33 -2.158 3.474 5.653 1.00 0.00 C ATOM 198 CD1 TYR A 33 -1.049 4.243 5.958 1.00 0.00 C ATOM 199 CD2 TYR A 33 -2.254 2.206 6.195 1.00 0.00 C ATOM 200 CE1 TYR A 33 -0.055 3.761 6.789 1.00 0.00 C ATOM 201 CE2 TYR A 33 -1.269 1.711 7.028 1.00 0.00 C ATOM 202 CZ TYR A 33 -0.170 2.493 7.323 1.00 0.00 C ATOM 203 OH TYR A 33 0.815 2.007 8.151 1.00 0.00 O ATOM 0 H TYR A 33 -4.831 3.400 3.009 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.364 4.940 3.049 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.475 5.025 5.042 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.137 3.410 4.884 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.959 5.235 5.540 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.112 1.593 5.964 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.805 4.372 7.019 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.358 0.719 7.446 1.00 0.00 H new ATOM 0 HH TYR A 33 0.580 1.101 8.442 1.00 0.00 H new ATOM 213 N ASN A 34 -2.578 1.780 2.551 1.00 0.00 N ATOM 214 CA ASN A 34 -1.909 0.589 2.159 1.00 0.00 C ATOM 215 C ASN A 34 -1.453 0.709 0.729 1.00 0.00 C ATOM 216 O ASN A 34 -0.699 -0.123 0.224 1.00 0.00 O ATOM 217 CB ASN A 34 -2.853 -0.583 2.289 1.00 0.00 C ATOM 218 CG ASN A 34 -2.152 -1.868 2.684 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.466 -2.470 3.711 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.194 -2.294 1.869 1.00 0.00 N ATOM 0 H ASN A 34 -3.595 1.722 2.491 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.042 0.434 2.802 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.615 -0.348 3.032 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.369 -0.734 1.341 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.686 -3.152 2.084 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.966 -1.763 1.028 1.00 0.00 H new ATOM 227 N VAL A 35 -1.929 1.753 0.077 1.00 0.00 N ATOM 228 CA VAL A 35 -1.588 1.986 -1.291 1.00 0.00 C ATOM 229 C VAL A 35 -0.444 2.955 -1.383 1.00 0.00 C ATOM 230 O VAL A 35 0.567 2.684 -2.014 1.00 0.00 O ATOM 231 CB VAL A 35 -2.785 2.505 -2.105 1.00 0.00 C ATOM 232 CG1 VAL A 35 -2.384 2.780 -3.548 1.00 0.00 C ATOM 233 CG2 VAL A 35 -3.943 1.517 -2.043 1.00 0.00 C ATOM 0 H VAL A 35 -2.554 2.448 0.485 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.290 1.029 -1.719 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.114 3.446 -1.664 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.248 3.146 -4.102 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.594 3.531 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.022 1.860 -4.007 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.781 1.901 -2.625 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.626 0.558 -2.453 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.252 1.383 -1.006 1.00 0.00 H new ATOM 243 N LYS A 36 -0.609 4.071 -0.722 1.00 0.00 N ATOM 244 CA LYS A 36 0.406 5.081 -0.684 1.00 0.00 C ATOM 245 C LYS A 36 1.650 4.525 -0.020 1.00 0.00 C ATOM 246 O LYS A 36 2.770 4.973 -0.260 1.00 0.00 O ATOM 247 CB LYS A 36 -0.086 6.297 0.080 1.00 0.00 C ATOM 248 CG LYS A 36 -0.894 5.959 1.323 1.00 0.00 C ATOM 249 CD LYS A 36 -2.179 6.767 1.363 1.00 0.00 C ATOM 250 CE LYS A 36 -1.955 8.150 1.954 1.00 0.00 C ATOM 251 NZ LYS A 36 -0.727 8.795 1.411 1.00 0.00 N ATOM 0 H LYS A 36 -1.452 4.302 -0.196 1.00 0.00 H new ATOM 0 HA LYS A 36 0.642 5.383 -1.704 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.772 6.903 0.370 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.698 6.908 -0.584 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.127 4.894 1.333 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.302 6.164 2.215 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.580 6.863 0.354 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.925 6.235 1.954 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.819 8.779 1.742 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.875 8.073 3.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.725 9.804 1.662 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.114 8.336 1.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -0.711 8.696 0.376 1.00 0.00 H new ATOM 265 N GLU A 37 1.408 3.524 0.807 1.00 0.00 N ATOM 266 CA GLU A 37 2.461 2.827 1.541 1.00 0.00 C ATOM 267 C GLU A 37 3.095 1.766 0.647 1.00 0.00 C ATOM 268 O GLU A 37 4.239 1.360 0.843 1.00 0.00 O ATOM 269 CB GLU A 37 1.885 2.178 2.802 1.00 0.00 C ATOM 270 CG GLU A 37 2.897 1.359 3.588 1.00 0.00 C ATOM 271 CD GLU A 37 3.186 1.943 4.957 1.00 0.00 C ATOM 272 OE1 GLU A 37 3.002 3.166 5.131 1.00 0.00 O ATOM 273 OE2 GLU A 37 3.595 1.177 5.855 1.00 0.00 O ATOM 0 H GLU A 37 0.471 3.166 0.993 1.00 0.00 H new ATOM 0 HA GLU A 37 3.224 3.546 1.838 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.482 2.957 3.449 1.00 0.00 H new ATOM 0 HB3 GLU A 37 1.051 1.535 2.520 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.524 0.341 3.703 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.826 1.296 3.021 1.00 0.00 H new ATOM 280 N LYS A 38 2.329 1.348 -0.350 1.00 0.00 N ATOM 281 CA LYS A 38 2.749 0.370 -1.317 1.00 0.00 C ATOM 282 C LYS A 38 3.272 1.073 -2.527 1.00 0.00 C ATOM 283 O LYS A 38 4.203 0.623 -3.173 1.00 0.00 O ATOM 284 CB LYS A 38 1.574 -0.509 -1.698 1.00 0.00 C ATOM 285 CG LYS A 38 1.882 -1.496 -2.806 1.00 0.00 C ATOM 286 CD LYS A 38 0.618 -2.170 -3.311 1.00 0.00 C ATOM 287 CE LYS A 38 0.835 -3.655 -3.550 1.00 0.00 C ATOM 288 NZ LYS A 38 -0.449 -4.377 -3.766 1.00 0.00 N ATOM 0 H LYS A 38 1.381 1.692 -0.504 1.00 0.00 H new ATOM 0 HA LYS A 38 3.534 -0.255 -0.891 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.242 -1.058 -0.817 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.744 0.125 -2.009 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.375 -0.979 -3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.578 -2.251 -2.441 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.184 -2.031 -2.586 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.296 -1.695 -4.238 1.00 0.00 H new ATOM 0 HE2 LYS A 38 1.479 -3.792 -4.419 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.355 -4.088 -2.696 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -0.257 -5.387 -3.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -1.054 -4.268 -2.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -0.934 -3.982 -4.597 1.00 0.00 H new ATOM 302 N ASP A 39 2.692 2.219 -2.788 1.00 0.00 N ATOM 303 CA ASP A 39 3.130 3.037 -3.898 1.00 0.00 C ATOM 304 C ASP A 39 4.426 3.724 -3.509 1.00 0.00 C ATOM 305 O ASP A 39 4.914 4.618 -4.200 1.00 0.00 O ATOM 306 CB ASP A 39 2.068 4.062 -4.258 1.00 0.00 C ATOM 307 CG ASP A 39 1.991 4.322 -5.750 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.458 3.463 -6.526 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.463 5.384 -6.141 1.00 0.00 O ATOM 0 H ASP A 39 1.917 2.608 -2.250 1.00 0.00 H new ATOM 0 HA ASP A 39 3.295 2.411 -4.775 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.098 3.715 -3.903 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.281 4.997 -3.740 1.00 0.00 H new ATOM 314 N GLN A 40 4.960 3.299 -2.367 1.00 0.00 N ATOM 315 CA GLN A 40 6.170 3.854 -1.829 1.00 0.00 C ATOM 316 C GLN A 40 7.136 2.774 -1.319 1.00 0.00 C ATOM 317 O GLN A 40 8.300 3.063 -1.044 1.00 0.00 O ATOM 318 CB GLN A 40 5.795 4.826 -0.713 1.00 0.00 C ATOM 319 CG GLN A 40 5.504 4.167 0.627 1.00 0.00 C ATOM 320 CD GLN A 40 6.061 4.954 1.797 1.00 0.00 C ATOM 321 OE1 GLN A 40 7.112 4.617 2.342 1.00 0.00 O ATOM 322 NE2 GLN A 40 5.357 6.010 2.189 1.00 0.00 N ATOM 0 H GLN A 40 4.554 2.557 -1.797 1.00 0.00 H new ATOM 0 HA GLN A 40 6.701 4.377 -2.624 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.607 5.541 -0.583 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.917 5.394 -1.023 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.426 4.058 0.748 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.929 3.163 0.634 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.491 6.253 1.708 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.683 6.578 2.971 1.00 0.00 H new ATOM 331 N VAL A 41 6.652 1.538 -1.179 1.00 0.00 N ATOM 332 CA VAL A 41 7.491 0.448 -0.685 1.00 0.00 C ATOM 333 C VAL A 41 8.020 -0.423 -1.813 1.00 0.00 C ATOM 334 O VAL A 41 9.177 -0.833 -1.785 1.00 0.00 O ATOM 335 CB VAL A 41 6.746 -0.416 0.345 1.00 0.00 C ATOM 336 CG1 VAL A 41 7.447 -1.752 0.565 1.00 0.00 C ATOM 337 CG2 VAL A 41 6.600 0.334 1.661 1.00 0.00 C ATOM 0 H VAL A 41 5.693 1.270 -1.399 1.00 0.00 H new ATOM 0 HA VAL A 41 8.344 0.915 -0.193 1.00 0.00 H new ATOM 0 HB VAL A 41 5.753 -0.625 -0.052 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.893 -2.337 1.299 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.491 -2.299 -0.377 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.459 -1.576 0.930 1.00 0.00 H new ATOM 0 HG21 VAL A 41 6.070 -0.292 2.379 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.588 0.579 2.052 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.037 1.253 1.496 1.00 0.00 H new ATOM 347 N GLU A 42 7.179 -0.706 -2.802 1.00 0.00 N ATOM 348 CA GLU A 42 7.605 -1.536 -3.942 1.00 0.00 C ATOM 349 C GLU A 42 9.022 -1.149 -4.360 1.00 0.00 C ATOM 350 O GLU A 42 9.814 -1.991 -4.782 1.00 0.00 O ATOM 351 CB GLU A 42 6.666 -1.420 -5.163 1.00 0.00 C ATOM 352 CG GLU A 42 5.497 -0.458 -5.010 1.00 0.00 C ATOM 353 CD GLU A 42 4.895 -0.064 -6.345 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.359 0.935 -6.934 1.00 0.00 O ATOM 355 OE2 GLU A 42 3.958 -0.753 -6.800 1.00 0.00 O ATOM 0 H GLU A 42 6.212 -0.383 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 42 7.569 -2.572 -3.605 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.257 -1.109 -6.024 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.270 -2.410 -5.389 1.00 0.00 H new ATOM 0 HG2 GLU A 42 4.729 -0.920 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.833 0.438 -4.487 1.00 0.00 H new ATOM 362 N ASP A 43 9.331 0.136 -4.211 1.00 0.00 N ATOM 363 CA ASP A 43 10.648 0.662 -4.537 1.00 0.00 C ATOM 364 C ASP A 43 11.711 -0.041 -3.729 1.00 0.00 C ATOM 365 O ASP A 43 12.752 -0.442 -4.244 1.00 0.00 O ATOM 366 CB ASP A 43 10.698 2.158 -4.238 1.00 0.00 C ATOM 367 CG ASP A 43 10.577 3.009 -5.487 1.00 0.00 C ATOM 368 OD1 ASP A 43 11.580 3.134 -6.220 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.479 3.552 -5.731 1.00 0.00 O ATOM 0 H ASP A 43 8.677 0.837 -3.862 1.00 0.00 H new ATOM 0 HA ASP A 43 10.834 0.492 -5.597 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.892 2.414 -3.550 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.635 2.392 -3.733 1.00 0.00 H new ATOM 374 N LEU A 44 11.433 -0.181 -2.453 1.00 0.00 N ATOM 375 CA LEU A 44 12.348 -0.825 -1.543 1.00 0.00 C ATOM 376 C LEU A 44 12.422 -2.330 -1.775 1.00 0.00 C ATOM 377 O LEU A 44 12.875 -3.090 -0.919 1.00 0.00 O ATOM 378 CB LEU A 44 11.979 -0.498 -0.104 1.00 0.00 C ATOM 379 CG LEU A 44 12.515 0.853 0.352 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.380 1.763 0.799 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.539 0.682 1.465 1.00 0.00 C ATOM 0 H LEU A 44 10.570 0.147 -2.020 1.00 0.00 H new ATOM 0 HA LEU A 44 13.346 -0.433 -1.739 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.894 -0.506 -0.001 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.367 -1.278 0.552 1.00 0.00 H new ATOM 0 HG LEU A 44 13.012 1.322 -0.497 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.787 2.722 1.120 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.692 1.921 -0.031 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.847 1.299 1.629 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.907 1.660 1.774 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.072 0.185 2.315 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.372 0.078 1.104 1.00 0.00 H new ATOM 393 N ASN A 45 12.008 -2.731 -2.962 1.00 0.00 N ATOM 394 CA ASN A 45 12.042 -4.120 -3.385 1.00 0.00 C ATOM 395 C ASN A 45 12.440 -4.173 -4.855 1.00 0.00 C ATOM 396 O ASN A 45 13.194 -5.047 -5.282 1.00 0.00 O ATOM 397 CB ASN A 45 10.681 -4.781 -3.168 1.00 0.00 C ATOM 398 CG ASN A 45 10.733 -5.888 -2.133 1.00 0.00 C ATOM 399 OD1 ASN A 45 11.273 -5.708 -1.041 1.00 0.00 O ATOM 400 ND2 ASN A 45 10.171 -7.042 -2.471 1.00 0.00 N ATOM 0 H ASN A 45 11.635 -2.096 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 45 12.773 -4.668 -2.790 1.00 0.00 H new ATOM 0 HB2 ASN A 45 9.960 -4.027 -2.853 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.323 -5.188 -4.114 1.00 0.00 H new ATOM 0 HD21 ASN A 45 10.176 -7.823 -1.815 1.00 0.00 H new ATOM 0 HD22 ASN A 45 9.734 -7.148 -3.387 1.00 0.00 H new ATOM 407 N LEU A 46 11.952 -3.193 -5.610 1.00 0.00 N ATOM 408 CA LEU A 46 12.270 -3.067 -7.020 1.00 0.00 C ATOM 409 C LEU A 46 12.978 -1.742 -7.239 1.00 0.00 C ATOM 410 O LEU A 46 12.683 -0.994 -8.170 1.00 0.00 O ATOM 411 CB LEU A 46 11.006 -3.151 -7.877 1.00 0.00 C ATOM 412 CG LEU A 46 11.178 -3.867 -9.218 1.00 0.00 C ATOM 413 CD1 LEU A 46 11.531 -5.330 -9.001 1.00 0.00 C ATOM 414 CD2 LEU A 46 9.913 -3.740 -10.054 1.00 0.00 C ATOM 0 H LEU A 46 11.327 -2.468 -5.258 1.00 0.00 H new ATOM 0 HA LEU A 46 12.921 -3.888 -7.320 1.00 0.00 H new ATOM 0 HB2 LEU A 46 10.232 -3.663 -7.306 1.00 0.00 H new ATOM 0 HB3 LEU A 46 10.646 -2.140 -8.066 1.00 0.00 H new ATOM 0 HG LEU A 46 11.998 -3.394 -9.759 1.00 0.00 H new ATOM 0 HD11 LEU A 46 11.649 -5.823 -9.966 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.464 -5.400 -8.441 1.00 0.00 H new ATOM 0 HD13 LEU A 46 10.734 -5.817 -8.440 1.00 0.00 H new ATOM 0 HD21 LEU A 46 10.052 -4.255 -11.005 1.00 0.00 H new ATOM 0 HD22 LEU A 46 9.076 -4.188 -9.518 1.00 0.00 H new ATOM 0 HD23 LEU A 46 9.703 -2.686 -10.239 1.00 0.00 H new ATOM 426 N ASP A 47 13.917 -1.477 -6.344 1.00 0.00 N ATOM 427 CA ASP A 47 14.708 -0.264 -6.364 1.00 0.00 C ATOM 428 C ASP A 47 15.651 -0.213 -5.162 1.00 0.00 C ATOM 429 O ASP A 47 16.729 0.378 -5.231 1.00 0.00 O ATOM 430 CB ASP A 47 13.810 0.971 -6.364 1.00 0.00 C ATOM 431 CG ASP A 47 13.637 1.564 -7.748 1.00 0.00 C ATOM 432 OD1 ASP A 47 14.661 1.841 -8.408 1.00 0.00 O ATOM 433 OD2 ASP A 47 12.477 1.752 -8.173 1.00 0.00 O ATOM 0 H ASP A 47 14.151 -2.107 -5.577 1.00 0.00 H new ATOM 0 HA ASP A 47 15.300 -0.269 -7.279 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.833 0.705 -5.962 1.00 0.00 H new ATOM 0 HB3 ASP A 47 14.234 1.724 -5.700 1.00 0.00 H new ATOM 438 N SER A 48 15.239 -0.834 -4.059 1.00 0.00 N ATOM 439 CA SER A 48 16.056 -0.854 -2.848 1.00 0.00 C ATOM 440 C SER A 48 17.360 -1.575 -3.118 1.00 0.00 C ATOM 441 O SER A 48 18.428 -1.149 -2.684 1.00 0.00 O ATOM 442 CB SER A 48 15.334 -1.550 -1.694 1.00 0.00 C ATOM 443 OG SER A 48 16.253 -2.176 -0.812 1.00 0.00 O ATOM 0 H SER A 48 14.350 -1.327 -3.979 1.00 0.00 H new ATOM 0 HA SER A 48 16.248 0.181 -2.563 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.737 -0.822 -1.144 1.00 0.00 H new ATOM 0 HB3 SER A 48 14.643 -2.294 -2.091 1.00 0.00 H new ATOM 0 HG SER A 48 15.763 -2.611 -0.084 1.00 0.00 H new ATOM 449 N LEU A 49 17.256 -2.669 -3.860 1.00 0.00 N ATOM 450 CA LEU A 49 18.426 -3.459 -4.220 1.00 0.00 C ATOM 451 C LEU A 49 19.091 -2.862 -5.457 1.00 0.00 C ATOM 452 O LEU A 49 19.900 -3.502 -6.128 1.00 0.00 O ATOM 453 CB LEU A 49 18.014 -4.915 -4.457 1.00 0.00 C ATOM 454 CG LEU A 49 17.716 -5.289 -5.913 1.00 0.00 C ATOM 455 CD1 LEU A 49 18.851 -6.115 -6.498 1.00 0.00 C ATOM 456 CD2 LEU A 49 16.398 -6.044 -6.013 1.00 0.00 C ATOM 0 H LEU A 49 16.374 -3.030 -4.224 1.00 0.00 H new ATOM 0 HA LEU A 49 19.149 -3.439 -3.404 1.00 0.00 H new ATOM 0 HB2 LEU A 49 18.809 -5.564 -4.089 1.00 0.00 H new ATOM 0 HB3 LEU A 49 17.128 -5.126 -3.858 1.00 0.00 H new ATOM 0 HG LEU A 49 17.629 -4.369 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 49 18.620 -6.370 -7.532 1.00 0.00 H new ATOM 0 HD12 LEU A 49 19.775 -5.538 -6.464 1.00 0.00 H new ATOM 0 HD13 LEU A 49 18.972 -7.029 -5.917 1.00 0.00 H new ATOM 0 HD21 LEU A 49 16.204 -6.301 -7.054 1.00 0.00 H new ATOM 0 HD22 LEU A 49 16.455 -6.956 -5.419 1.00 0.00 H new ATOM 0 HD23 LEU A 49 15.590 -5.416 -5.637 1.00 0.00 H new ATOM 468 N TRP A 50 18.713 -1.628 -5.737 1.00 0.00 N ATOM 469 CA TRP A 50 19.210 -0.878 -6.874 1.00 0.00 C ATOM 470 C TRP A 50 19.924 0.381 -6.398 1.00 0.00 C ATOM 471 O TRP A 50 20.626 1.048 -7.158 1.00 0.00 O ATOM 472 CB TRP A 50 18.031 -0.483 -7.763 1.00 0.00 C ATOM 473 CG TRP A 50 17.073 -1.604 -8.031 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.480 -2.412 -7.108 1.00 0.00 C ATOM 475 CD2 TRP A 50 16.581 -2.023 -9.305 1.00 0.00 C ATOM 476 NE1 TRP A 50 15.666 -3.326 -7.733 1.00 0.00 N ATOM 477 CE2 TRP A 50 15.711 -3.105 -9.084 1.00 0.00 C ATOM 478 CE3 TRP A 50 16.801 -1.589 -10.609 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.059 -3.760 -10.126 1.00 0.00 C ATOM 480 CZ3 TRP A 50 16.154 -2.236 -11.645 1.00 0.00 C ATOM 481 CH2 TRP A 50 15.293 -3.313 -11.399 1.00 0.00 C ATOM 0 H TRP A 50 18.041 -1.111 -5.171 1.00 0.00 H new ATOM 0 HA TRP A 50 19.912 -1.495 -7.434 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.492 0.338 -7.291 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.413 -0.109 -8.713 1.00 0.00 H new ATOM 0 HD1 TRP A 50 16.628 -2.344 -6.040 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.118 -4.050 -7.267 1.00 0.00 H new ATOM 0 HE3 TRP A 50 17.466 -0.761 -10.808 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.394 -4.589 -9.937 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 16.315 -1.906 -12.661 1.00 0.00 H new ATOM 0 HH2 TRP A 50 14.804 -3.800 -12.230 1.00 0.00 H new ATOM 492 N GLU A 51 19.712 0.698 -5.128 1.00 0.00 N ATOM 493 CA GLU A 51 20.289 1.870 -4.501 1.00 0.00 C ATOM 494 C GLU A 51 21.803 1.735 -4.357 1.00 0.00 C ATOM 495 O GLU A 51 22.472 2.769 -4.150 1.00 0.00 O ATOM 496 CB GLU A 51 19.624 2.057 -3.136 1.00 0.00 C ATOM 497 CG GLU A 51 20.157 1.117 -2.069 1.00 0.00 C ATOM 498 CD GLU A 51 19.304 1.110 -0.816 1.00 0.00 C ATOM 499 OE1 GLU A 51 18.801 2.188 -0.434 1.00 0.00 O ATOM 500 OE2 GLU A 51 19.138 0.027 -0.217 1.00 0.00 O ATOM 501 OXT GLU A 51 22.307 0.596 -4.454 1.00 0.00 O ATOM 0 H GLU A 51 19.129 0.142 -4.502 1.00 0.00 H new ATOM 0 HA GLU A 51 20.110 2.745 -5.126 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.769 3.086 -2.808 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.550 1.904 -3.240 1.00 0.00 H new ATOM 0 HG2 GLU A 51 20.209 0.106 -2.474 1.00 0.00 H new ATOM 0 HG3 GLU A 51 21.175 1.409 -1.809 1.00 0.00 H new TER 508 GLU A 51