USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=7 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+ -155:sc= 0 (180deg=-0.118) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.032) USER MOD Single : A 36 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0416) USER MOD Single : A 38 LYS NZ :NH3+ 157:sc= -0.046 (180deg=-0.32) USER MOD Single : A 40 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 45 ASN : amide:sc= -0.842 K(o=-0.84,f=-3.2!) USER MOD Single : A 48 SER OG : rot -80:sc= -3.11! USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -19.509 -8.067 2.491 1.00 0.00 N ATOM 2 CA LEU A 22 -20.537 -6.993 2.532 1.00 0.00 C ATOM 3 C LEU A 22 -19.950 -5.690 3.069 1.00 0.00 C ATOM 4 O LEU A 22 -18.792 -5.644 3.485 1.00 0.00 O ATOM 5 CB LEU A 22 -21.693 -7.455 3.425 1.00 0.00 C ATOM 6 CG LEU A 22 -22.747 -8.320 2.732 1.00 0.00 C ATOM 7 CD1 LEU A 22 -22.113 -9.577 2.158 1.00 0.00 C ATOM 8 CD2 LEU A 22 -23.861 -8.680 3.704 1.00 0.00 C ATOM 0 HA LEU A 22 -20.895 -6.803 1.520 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -21.281 -8.015 4.264 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.184 -6.575 3.840 1.00 0.00 H new ATOM 0 HG LEU A 22 -23.177 -7.747 1.910 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -22.878 -10.180 1.669 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -21.350 -9.300 1.431 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -21.656 -10.154 2.962 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -24.603 -9.296 3.195 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -23.445 -9.234 4.545 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -24.334 -7.768 4.069 1.00 0.00 H new ATOM 22 N TYR A 23 -20.759 -4.633 3.059 1.00 0.00 N ATOM 23 CA TYR A 23 -20.315 -3.318 3.554 1.00 0.00 C ATOM 24 C TYR A 23 -19.034 -2.873 2.837 1.00 0.00 C ATOM 25 O TYR A 23 -18.467 -3.640 2.058 1.00 0.00 O ATOM 26 CB TYR A 23 -20.069 -3.389 5.068 1.00 0.00 C ATOM 27 CG TYR A 23 -21.144 -4.139 5.820 1.00 0.00 C ATOM 28 CD1 TYR A 23 -21.050 -5.509 6.027 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.255 -3.474 6.323 1.00 0.00 C ATOM 30 CE1 TYR A 23 -22.033 -6.196 6.714 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.242 -4.153 7.011 1.00 0.00 C ATOM 32 CZ TYR A 23 -23.126 -5.513 7.204 1.00 0.00 C ATOM 33 OH TYR A 23 -24.107 -6.194 7.889 1.00 0.00 O ATOM 0 H TYR A 23 -21.720 -4.653 2.718 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.097 -2.587 3.348 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -19.108 -3.869 5.249 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -19.999 -2.376 5.464 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -20.195 -6.046 5.645 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -22.349 -2.408 6.174 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -21.946 -7.262 6.866 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -24.100 -3.621 7.396 1.00 0.00 H new ATOM 0 HH TYR A 23 -24.807 -5.567 8.168 1.00 0.00 H new ATOM 43 N PRO A 24 -18.534 -1.641 3.094 1.00 0.00 N ATOM 44 CA PRO A 24 -17.307 -1.154 2.472 1.00 0.00 C ATOM 45 C PRO A 24 -16.132 -2.037 2.804 1.00 0.00 C ATOM 46 O PRO A 24 -16.276 -3.049 3.490 1.00 0.00 O ATOM 47 CB PRO A 24 -17.107 0.221 3.124 1.00 0.00 C ATOM 48 CG PRO A 24 -18.452 0.629 3.542 1.00 0.00 C ATOM 49 CD PRO A 24 -19.078 -0.630 4.019 1.00 0.00 C ATOM 0 HA PRO A 24 -17.377 -1.130 1.385 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.428 0.162 3.975 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.676 0.934 2.421 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.414 1.380 4.331 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.012 1.065 2.715 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -18.813 -0.846 5.054 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.166 -0.583 3.972 1.00 0.00 H new ATOM 57 N ASP A 25 -14.957 -1.615 2.379 1.00 0.00 N ATOM 58 CA ASP A 25 -13.760 -2.332 2.701 1.00 0.00 C ATOM 59 C ASP A 25 -13.471 -2.088 4.167 1.00 0.00 C ATOM 60 O ASP A 25 -12.597 -2.712 4.769 1.00 0.00 O ATOM 61 CB ASP A 25 -12.625 -1.824 1.828 1.00 0.00 C ATOM 62 CG ASP A 25 -11.590 -2.891 1.529 1.00 0.00 C ATOM 63 OD1 ASP A 25 -11.504 -3.868 2.302 1.00 0.00 O ATOM 64 OD2 ASP A 25 -10.866 -2.749 0.522 1.00 0.00 O ATOM 0 H ASP A 25 -14.816 -0.779 1.811 1.00 0.00 H new ATOM 0 HA ASP A 25 -13.869 -3.401 2.520 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.034 -1.449 0.890 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.140 -0.983 2.324 1.00 0.00 H new ATOM 69 N LEU A 26 -14.218 -1.127 4.718 1.00 0.00 N ATOM 70 CA LEU A 26 -14.074 -0.719 6.091 1.00 0.00 C ATOM 71 C LEU A 26 -12.666 -0.178 6.305 1.00 0.00 C ATOM 72 O LEU A 26 -12.260 0.137 7.423 1.00 0.00 O ATOM 73 CB LEU A 26 -14.392 -1.877 7.036 1.00 0.00 C ATOM 74 CG LEU A 26 -15.646 -1.682 7.891 1.00 0.00 C ATOM 75 CD1 LEU A 26 -15.987 -2.961 8.639 1.00 0.00 C ATOM 76 CD2 LEU A 26 -15.451 -0.529 8.865 1.00 0.00 C ATOM 0 H LEU A 26 -14.940 -0.616 4.209 1.00 0.00 H new ATOM 0 HA LEU A 26 -14.787 0.074 6.316 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.509 -2.787 6.447 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -13.539 -2.033 7.697 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.479 -1.439 7.231 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.881 -2.803 9.241 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -16.168 -3.763 7.924 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.156 -3.235 9.289 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -16.352 -0.404 9.465 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -14.606 -0.744 9.519 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -15.255 0.388 8.309 1.00 0.00 H new ATOM 88 N SER A 27 -11.939 -0.062 5.193 1.00 0.00 N ATOM 89 CA SER A 27 -10.588 0.447 5.190 1.00 0.00 C ATOM 90 C SER A 27 -10.521 1.747 4.397 1.00 0.00 C ATOM 91 O SER A 27 -10.289 2.807 4.969 1.00 0.00 O ATOM 92 CB SER A 27 -9.632 -0.583 4.586 1.00 0.00 C ATOM 93 OG SER A 27 -9.289 -1.579 5.534 1.00 0.00 O ATOM 0 H SER A 27 -12.283 -0.323 4.269 1.00 0.00 H new ATOM 0 HA SER A 27 -10.287 0.642 6.219 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.096 -1.049 3.717 1.00 0.00 H new ATOM 0 HB3 SER A 27 -8.729 -0.084 4.236 1.00 0.00 H new ATOM 0 HG SER A 27 -8.679 -2.226 5.123 1.00 0.00 H new ATOM 99 N GLU A 28 -10.739 1.640 3.076 1.00 0.00 N ATOM 100 CA GLU A 28 -10.716 2.782 2.130 1.00 0.00 C ATOM 101 C GLU A 28 -10.013 4.055 2.671 1.00 0.00 C ATOM 102 O GLU A 28 -10.350 5.176 2.294 1.00 0.00 O ATOM 103 CB GLU A 28 -12.142 3.132 1.729 1.00 0.00 C ATOM 104 CG GLU A 28 -13.056 3.290 2.929 1.00 0.00 C ATOM 105 CD GLU A 28 -13.850 4.581 2.896 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.332 5.583 2.361 1.00 0.00 O ATOM 107 OE2 GLU A 28 -14.991 4.589 3.405 1.00 0.00 O ATOM 0 H GLU A 28 -10.939 0.748 2.623 1.00 0.00 H new ATOM 0 HA GLU A 28 -10.126 2.451 1.276 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.138 4.058 1.154 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -12.535 2.353 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -13.745 2.446 2.969 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -12.460 3.259 3.841 1.00 0.00 H new ATOM 114 N ILE A 29 -9.048 3.839 3.540 1.00 0.00 N ATOM 115 CA ILE A 29 -8.230 4.862 4.194 1.00 0.00 C ATOM 116 C ILE A 29 -7.437 4.072 5.199 1.00 0.00 C ATOM 117 O ILE A 29 -7.463 4.281 6.412 1.00 0.00 O ATOM 118 CB ILE A 29 -9.043 5.978 4.892 1.00 0.00 C ATOM 119 CG1 ILE A 29 -10.317 5.412 5.522 1.00 0.00 C ATOM 120 CG2 ILE A 29 -9.379 7.089 3.908 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.137 6.448 6.260 1.00 0.00 C ATOM 0 H ILE A 29 -8.792 2.896 3.831 1.00 0.00 H new ATOM 0 HA ILE A 29 -7.627 5.406 3.466 1.00 0.00 H new ATOM 0 HB ILE A 29 -8.429 6.398 5.689 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -10.931 4.963 4.741 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.047 4.614 6.213 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -9.951 7.865 4.417 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -8.457 7.517 3.514 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -9.970 6.682 3.087 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.025 5.977 6.681 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.540 6.880 7.063 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -11.437 7.235 5.568 1.00 0.00 H new ATOM 133 N LYS A 30 -6.821 3.084 4.600 1.00 0.00 N ATOM 134 CA LYS A 30 -6.051 2.055 5.239 1.00 0.00 C ATOM 135 C LYS A 30 -5.613 1.136 4.111 1.00 0.00 C ATOM 136 O LYS A 30 -4.461 0.731 4.014 1.00 0.00 O ATOM 137 CB LYS A 30 -6.924 1.314 6.250 1.00 0.00 C ATOM 138 CG LYS A 30 -6.175 0.861 7.492 1.00 0.00 C ATOM 139 CD LYS A 30 -5.619 2.042 8.272 1.00 0.00 C ATOM 140 CE LYS A 30 -6.466 2.351 9.496 1.00 0.00 C ATOM 141 NZ LYS A 30 -6.136 1.458 10.640 1.00 0.00 N ATOM 0 H LYS A 30 -6.848 2.973 3.586 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.194 2.445 5.789 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -7.747 1.963 6.550 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.365 0.443 5.765 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.844 0.285 8.131 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -5.359 0.198 7.204 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -4.596 1.826 8.581 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -5.578 2.919 7.626 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.313 3.389 9.790 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.521 2.243 9.244 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.735 1.701 11.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -6.306 0.469 10.368 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.136 1.579 10.898 1.00 0.00 H new ATOM 155 N LYS A 31 -6.582 0.912 3.214 1.00 0.00 N ATOM 156 CA LYS A 31 -6.420 0.159 1.995 1.00 0.00 C ATOM 157 C LYS A 31 -5.584 1.005 1.053 1.00 0.00 C ATOM 158 O LYS A 31 -4.536 0.590 0.561 1.00 0.00 O ATOM 159 CB LYS A 31 -7.801 -0.062 1.363 1.00 0.00 C ATOM 160 CG LYS A 31 -7.852 -1.214 0.376 1.00 0.00 C ATOM 161 CD LYS A 31 -7.323 -0.793 -0.987 1.00 0.00 C ATOM 162 CE LYS A 31 -8.082 0.404 -1.540 1.00 0.00 C ATOM 163 NZ LYS A 31 -7.861 0.576 -3.003 1.00 0.00 N ATOM 0 H LYS A 31 -7.529 1.270 3.336 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.946 -0.803 2.188 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -8.527 -0.244 2.156 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -8.107 0.852 0.854 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -7.263 -2.049 0.756 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -8.878 -1.567 0.278 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -6.264 -0.547 -0.906 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -7.404 -1.628 -1.683 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -9.147 0.279 -1.346 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -7.767 1.307 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.014 1.571 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -6.887 0.302 -3.241 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.528 -0.025 -3.528 1.00 0.00 H new ATOM 177 N GLU A 32 -6.062 2.235 0.864 1.00 0.00 N ATOM 178 CA GLU A 32 -5.380 3.227 0.042 1.00 0.00 C ATOM 179 C GLU A 32 -4.044 3.528 0.679 1.00 0.00 C ATOM 180 O GLU A 32 -3.062 3.819 0.001 1.00 0.00 O ATOM 181 CB GLU A 32 -6.204 4.514 -0.069 1.00 0.00 C ATOM 182 CG GLU A 32 -7.680 4.296 0.150 1.00 0.00 C ATOM 183 CD GLU A 32 -8.544 5.021 -0.862 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.323 6.232 -1.073 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.444 4.379 -1.444 1.00 0.00 O ATOM 0 H GLU A 32 -6.933 2.569 1.277 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.246 2.831 -0.965 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -5.838 5.236 0.661 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.051 4.952 -1.055 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.894 3.228 0.103 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -7.946 4.631 1.153 1.00 0.00 H new ATOM 192 N TYR A 33 -4.022 3.375 1.999 1.00 0.00 N ATOM 193 CA TYR A 33 -2.824 3.551 2.789 1.00 0.00 C ATOM 194 C TYR A 33 -2.012 2.303 2.625 1.00 0.00 C ATOM 195 O TYR A 33 -0.785 2.297 2.718 1.00 0.00 O ATOM 196 CB TYR A 33 -3.217 3.770 4.242 1.00 0.00 C ATOM 197 CG TYR A 33 -2.207 3.254 5.230 1.00 0.00 C ATOM 198 CD1 TYR A 33 -1.032 3.945 5.466 1.00 0.00 C ATOM 199 CD2 TYR A 33 -2.433 2.076 5.918 1.00 0.00 C ATOM 200 CE1 TYR A 33 -0.100 3.474 6.372 1.00 0.00 C ATOM 201 CE2 TYR A 33 -1.511 1.594 6.827 1.00 0.00 C ATOM 202 CZ TYR A 33 -0.345 2.298 7.051 1.00 0.00 C ATOM 203 OH TYR A 33 0.579 1.824 7.955 1.00 0.00 O ATOM 0 H TYR A 33 -4.844 3.124 2.548 1.00 0.00 H new ATOM 0 HA TYR A 33 -2.243 4.416 2.470 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -3.365 4.837 4.412 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.174 3.282 4.427 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -0.840 4.866 4.935 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.345 1.524 5.742 1.00 0.00 H new ATOM 0 HE1 TYR A 33 0.814 4.023 6.547 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -1.701 0.673 7.358 1.00 0.00 H new ATOM 0 HH TYR A 33 0.254 0.987 8.347 1.00 0.00 H new ATOM 213 N ASN A 34 -2.743 1.253 2.338 1.00 0.00 N ATOM 214 CA ASN A 34 -2.183 -0.029 2.100 1.00 0.00 C ATOM 215 C ASN A 34 -1.689 -0.110 0.679 1.00 0.00 C ATOM 216 O ASN A 34 -1.009 -1.059 0.290 1.00 0.00 O ATOM 217 CB ASN A 34 -3.238 -1.086 2.326 1.00 0.00 C ATOM 218 CG ASN A 34 -2.674 -2.378 2.881 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.878 -3.452 2.316 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.959 -2.281 3.996 1.00 0.00 N ATOM 0 H ASN A 34 -3.760 1.280 2.265 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.349 -0.192 2.782 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.990 -0.699 3.014 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.745 -1.293 1.383 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.554 -3.117 4.417 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -1.815 -1.370 4.432 1.00 0.00 H new ATOM 227 N VAL A 35 -2.050 0.896 -0.096 1.00 0.00 N ATOM 228 CA VAL A 35 -1.663 0.944 -1.472 1.00 0.00 C ATOM 229 C VAL A 35 -0.470 1.835 -1.654 1.00 0.00 C ATOM 230 O VAL A 35 0.541 1.431 -2.210 1.00 0.00 O ATOM 231 CB VAL A 35 -2.812 1.408 -2.381 1.00 0.00 C ATOM 232 CG1 VAL A 35 -2.370 1.443 -3.838 1.00 0.00 C ATOM 233 CG2 VAL A 35 -4.030 0.511 -2.207 1.00 0.00 C ATOM 0 H VAL A 35 -2.612 1.688 0.216 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.400 -0.072 -1.766 1.00 0.00 H new ATOM 0 HB VAL A 35 -3.090 2.421 -2.088 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -3.200 1.774 -4.462 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -1.535 2.134 -3.948 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -2.059 0.445 -4.148 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -4.832 0.856 -2.859 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.767 -0.514 -2.467 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -4.364 0.548 -1.170 1.00 0.00 H new ATOM 243 N LYS A 36 -0.586 3.039 -1.154 1.00 0.00 N ATOM 244 CA LYS A 36 0.487 3.987 -1.225 1.00 0.00 C ATOM 245 C LYS A 36 1.693 3.439 -0.490 1.00 0.00 C ATOM 246 O LYS A 36 2.836 3.784 -0.775 1.00 0.00 O ATOM 247 CB LYS A 36 0.067 5.309 -0.614 1.00 0.00 C ATOM 248 CG LYS A 36 -0.727 5.163 0.671 1.00 0.00 C ATOM 249 CD LYS A 36 -1.966 6.041 0.639 1.00 0.00 C ATOM 250 CE LYS A 36 -1.698 7.415 1.234 1.00 0.00 C ATOM 251 NZ LYS A 36 -0.924 8.286 0.305 1.00 0.00 N ATOM 0 H LYS A 36 -1.425 3.385 -0.689 1.00 0.00 H new ATOM 0 HA LYS A 36 0.743 4.155 -2.271 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.957 5.906 -0.415 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -0.531 5.861 -1.339 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.017 4.121 0.809 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -0.104 5.436 1.523 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -2.308 6.151 -0.390 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.770 5.556 1.192 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -2.646 7.896 1.476 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -1.149 7.304 2.169 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -0.851 9.243 0.706 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 0.030 7.892 0.173 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -1.410 8.332 -0.614 1.00 0.00 H new ATOM 265 N GLU A 37 1.391 2.559 0.447 1.00 0.00 N ATOM 266 CA GLU A 37 2.399 1.889 1.261 1.00 0.00 C ATOM 267 C GLU A 37 3.019 0.748 0.462 1.00 0.00 C ATOM 268 O GLU A 37 4.151 0.334 0.703 1.00 0.00 O ATOM 269 CB GLU A 37 1.767 1.352 2.549 1.00 0.00 C ATOM 270 CG GLU A 37 2.720 0.545 3.415 1.00 0.00 C ATOM 271 CD GLU A 37 3.572 1.420 4.314 1.00 0.00 C ATOM 272 OE1 GLU A 37 4.544 2.021 3.810 1.00 0.00 O ATOM 273 OE2 GLU A 37 3.268 1.503 5.523 1.00 0.00 O ATOM 0 H GLU A 37 0.434 2.285 0.669 1.00 0.00 H new ATOM 0 HA GLU A 37 3.177 2.603 1.530 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.385 2.191 3.131 1.00 0.00 H new ATOM 0 HB3 GLU A 37 0.912 0.728 2.289 1.00 0.00 H new ATOM 0 HG2 GLU A 37 2.147 -0.151 4.028 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.369 -0.053 2.775 1.00 0.00 H new ATOM 280 N LYS A 38 2.250 0.270 -0.506 1.00 0.00 N ATOM 281 CA LYS A 38 2.651 -0.793 -1.390 1.00 0.00 C ATOM 282 C LYS A 38 3.183 -0.209 -2.658 1.00 0.00 C ATOM 283 O LYS A 38 4.089 -0.745 -3.275 1.00 0.00 O ATOM 284 CB LYS A 38 1.458 -1.676 -1.691 1.00 0.00 C ATOM 285 CG LYS A 38 1.739 -2.759 -2.712 1.00 0.00 C ATOM 286 CD LYS A 38 0.459 -3.448 -3.149 1.00 0.00 C ATOM 287 CE LYS A 38 0.692 -4.919 -3.454 1.00 0.00 C ATOM 288 NZ LYS A 38 1.011 -5.697 -2.225 1.00 0.00 N ATOM 0 H LYS A 38 1.312 0.624 -0.695 1.00 0.00 H new ATOM 0 HA LYS A 38 3.429 -1.391 -0.915 1.00 0.00 H new ATOM 0 HB2 LYS A 38 1.120 -2.142 -0.765 1.00 0.00 H new ATOM 0 HB3 LYS A 38 0.639 -1.053 -2.052 1.00 0.00 H new ATOM 0 HG2 LYS A 38 2.235 -2.324 -3.580 1.00 0.00 H new ATOM 0 HG3 LYS A 38 2.424 -3.493 -2.288 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -0.292 -3.353 -2.365 1.00 0.00 H new ATOM 0 HD3 LYS A 38 0.061 -2.951 -4.034 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -0.196 -5.337 -3.928 1.00 0.00 H new ATOM 0 HE3 LYS A 38 1.510 -5.017 -4.168 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.784 -6.700 -2.380 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.023 -5.601 -2.006 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.449 -5.334 -1.429 1.00 0.00 H new ATOM 302 N ASP A 39 2.635 0.926 -3.007 1.00 0.00 N ATOM 303 CA ASP A 39 3.082 1.635 -4.185 1.00 0.00 C ATOM 304 C ASP A 39 4.370 2.365 -3.850 1.00 0.00 C ATOM 305 O ASP A 39 4.865 3.185 -4.622 1.00 0.00 O ATOM 306 CB ASP A 39 2.018 2.611 -4.656 1.00 0.00 C ATOM 307 CG ASP A 39 1.948 2.714 -6.167 1.00 0.00 C ATOM 308 OD1 ASP A 39 1.798 1.665 -6.828 1.00 0.00 O ATOM 309 OD2 ASP A 39 2.045 3.844 -6.690 1.00 0.00 O ATOM 0 H ASP A 39 1.879 1.381 -2.495 1.00 0.00 H new ATOM 0 HA ASP A 39 3.262 0.928 -4.995 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.047 2.298 -4.272 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.223 3.596 -4.238 1.00 0.00 H new ATOM 314 N GLN A 40 4.892 2.058 -2.665 1.00 0.00 N ATOM 315 CA GLN A 40 6.100 2.666 -2.175 1.00 0.00 C ATOM 316 C GLN A 40 7.091 1.630 -1.635 1.00 0.00 C ATOM 317 O GLN A 40 8.299 1.866 -1.630 1.00 0.00 O ATOM 318 CB GLN A 40 5.739 3.692 -1.103 1.00 0.00 C ATOM 319 CG GLN A 40 5.465 3.104 0.273 1.00 0.00 C ATOM 320 CD GLN A 40 6.037 3.951 1.393 1.00 0.00 C ATOM 321 OE1 GLN A 40 7.176 3.755 1.815 1.00 0.00 O ATOM 322 NE2 GLN A 40 5.246 4.900 1.880 1.00 0.00 N ATOM 0 H GLN A 40 4.480 1.378 -2.026 1.00 0.00 H new ATOM 0 HA GLN A 40 6.600 3.163 -3.006 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.553 4.412 -1.020 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.857 4.244 -1.430 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.389 3.002 0.413 1.00 0.00 H new ATOM 0 HG3 GLN A 40 5.890 2.102 0.327 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.308 5.027 1.500 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.576 5.502 2.634 1.00 0.00 H new ATOM 331 N VAL A 41 6.582 0.486 -1.177 1.00 0.00 N ATOM 332 CA VAL A 41 7.443 -0.562 -0.641 1.00 0.00 C ATOM 333 C VAL A 41 8.135 -1.321 -1.759 1.00 0.00 C ATOM 334 O VAL A 41 9.339 -1.558 -1.701 1.00 0.00 O ATOM 335 CB VAL A 41 6.665 -1.534 0.263 1.00 0.00 C ATOM 336 CG1 VAL A 41 7.404 -2.856 0.432 1.00 0.00 C ATOM 337 CG2 VAL A 41 6.393 -0.897 1.618 1.00 0.00 C ATOM 0 H VAL A 41 5.586 0.265 -1.167 1.00 0.00 H new ATOM 0 HA VAL A 41 8.201 -0.073 -0.029 1.00 0.00 H new ATOM 0 HB VAL A 41 5.713 -1.748 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 41 6.825 -3.517 1.077 1.00 0.00 H new ATOM 0 HG12 VAL A 41 7.538 -3.325 -0.543 1.00 0.00 H new ATOM 0 HG13 VAL A 41 8.379 -2.673 0.883 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.842 -1.598 2.245 1.00 0.00 H new ATOM 0 HG22 VAL A 41 7.339 -0.646 2.098 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.803 0.010 1.482 1.00 0.00 H new ATOM 347 N GLU A 42 7.372 -1.687 -2.780 1.00 0.00 N ATOM 348 CA GLU A 42 7.936 -2.406 -3.931 1.00 0.00 C ATOM 349 C GLU A 42 9.271 -1.775 -4.321 1.00 0.00 C ATOM 350 O GLU A 42 10.198 -2.459 -4.755 1.00 0.00 O ATOM 351 CB GLU A 42 6.994 -2.410 -5.156 1.00 0.00 C ATOM 352 CG GLU A 42 5.679 -1.656 -4.988 1.00 0.00 C ATOM 353 CD GLU A 42 5.010 -1.359 -6.316 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.664 -0.748 -7.187 1.00 0.00 O ATOM 355 OE2 GLU A 42 3.832 -1.738 -6.485 1.00 0.00 O ATOM 0 H GLU A 42 6.371 -1.504 -2.842 1.00 0.00 H new ATOM 0 HA GLU A 42 8.073 -3.443 -3.626 1.00 0.00 H new ATOM 0 HB2 GLU A 42 7.530 -1.982 -6.003 1.00 0.00 H new ATOM 0 HB3 GLU A 42 6.767 -3.445 -5.412 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.003 -2.244 -4.367 1.00 0.00 H new ATOM 0 HG3 GLU A 42 5.864 -0.720 -4.460 1.00 0.00 H new ATOM 362 N ASP A 43 9.356 -0.461 -4.131 1.00 0.00 N ATOM 363 CA ASP A 43 10.568 0.291 -4.424 1.00 0.00 C ATOM 364 C ASP A 43 11.722 -0.245 -3.616 1.00 0.00 C ATOM 365 O ASP A 43 12.834 -0.410 -4.113 1.00 0.00 O ATOM 366 CB ASP A 43 10.361 1.762 -4.078 1.00 0.00 C ATOM 367 CG ASP A 43 10.192 2.635 -5.306 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.099 2.606 -5.910 1.00 0.00 O ATOM 369 OD2 ASP A 43 11.153 3.349 -5.663 1.00 0.00 O ATOM 0 H ASP A 43 8.590 0.108 -3.771 1.00 0.00 H new ATOM 0 HA ASP A 43 10.791 0.189 -5.486 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.480 1.861 -3.443 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.213 2.118 -3.499 1.00 0.00 H new ATOM 374 N LEU A 44 11.440 -0.509 -2.361 1.00 0.00 N ATOM 375 CA LEU A 44 12.435 -1.020 -1.453 1.00 0.00 C ATOM 376 C LEU A 44 12.798 -2.469 -1.762 1.00 0.00 C ATOM 377 O LEU A 44 13.362 -3.181 -0.931 1.00 0.00 O ATOM 378 CB LEU A 44 11.975 -0.849 -0.014 1.00 0.00 C ATOM 379 CG LEU A 44 12.174 0.570 0.507 1.00 0.00 C ATOM 380 CD1 LEU A 44 10.835 1.219 0.829 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.086 0.580 1.727 1.00 0.00 C ATOM 0 H LEU A 44 10.519 -0.376 -1.944 1.00 0.00 H new ATOM 0 HA LEU A 44 13.346 -0.438 -1.590 1.00 0.00 H new ATOM 0 HB2 LEU A 44 10.920 -1.113 0.059 1.00 0.00 H new ATOM 0 HB3 LEU A 44 12.522 -1.545 0.622 1.00 0.00 H new ATOM 0 HG LEU A 44 12.656 1.153 -0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.001 2.231 1.199 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.223 1.258 -0.072 1.00 0.00 H new ATOM 0 HD13 LEU A 44 10.321 0.634 1.591 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.212 1.604 2.079 1.00 0.00 H new ATOM 0 HD22 LEU A 44 12.642 -0.024 2.518 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.058 0.167 1.458 1.00 0.00 H new ATOM 393 N ASN A 45 12.501 -2.867 -2.985 1.00 0.00 N ATOM 394 CA ASN A 45 12.809 -4.195 -3.483 1.00 0.00 C ATOM 395 C ASN A 45 13.244 -4.079 -4.940 1.00 0.00 C ATOM 396 O ASN A 45 14.146 -4.783 -5.395 1.00 0.00 O ATOM 397 CB ASN A 45 11.592 -5.113 -3.348 1.00 0.00 C ATOM 398 CG ASN A 45 11.802 -6.465 -4.004 1.00 0.00 C ATOM 399 OD1 ASN A 45 12.046 -6.553 -5.208 1.00 0.00 O ATOM 400 ND2 ASN A 45 11.707 -7.528 -3.213 1.00 0.00 N ATOM 0 H ASN A 45 12.034 -2.271 -3.668 1.00 0.00 H new ATOM 0 HA ASN A 45 13.617 -4.633 -2.897 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.367 -5.258 -2.291 1.00 0.00 H new ATOM 0 HB3 ASN A 45 10.725 -4.628 -3.795 1.00 0.00 H new ATOM 0 HD21 ASN A 45 11.838 -8.463 -3.598 1.00 0.00 H new ATOM 0 HD22 ASN A 45 11.503 -7.409 -2.221 1.00 0.00 H new ATOM 407 N LEU A 46 12.614 -3.147 -5.648 1.00 0.00 N ATOM 408 CA LEU A 46 12.939 -2.875 -7.036 1.00 0.00 C ATOM 409 C LEU A 46 13.375 -1.425 -7.157 1.00 0.00 C ATOM 410 O LEU A 46 12.952 -0.694 -8.052 1.00 0.00 O ATOM 411 CB LEU A 46 11.740 -3.154 -7.942 1.00 0.00 C ATOM 412 CG LEU A 46 12.090 -3.565 -9.373 1.00 0.00 C ATOM 413 CD1 LEU A 46 12.142 -5.080 -9.496 1.00 0.00 C ATOM 414 CD2 LEU A 46 11.084 -2.983 -10.356 1.00 0.00 C ATOM 0 H LEU A 46 11.867 -2.563 -5.273 1.00 0.00 H new ATOM 0 HA LEU A 46 13.749 -3.531 -7.355 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.139 -3.943 -7.490 1.00 0.00 H new ATOM 0 HB3 LEU A 46 11.117 -2.261 -7.979 1.00 0.00 H new ATOM 0 HG LEU A 46 13.076 -3.167 -9.614 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.392 -5.353 -10.521 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.901 -5.474 -8.820 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.170 -5.500 -9.236 1.00 0.00 H new ATOM 0 HD21 LEU A 46 11.348 -3.286 -11.369 1.00 0.00 H new ATOM 0 HD22 LEU A 46 10.086 -3.351 -10.116 1.00 0.00 H new ATOM 0 HD23 LEU A 46 11.096 -1.895 -10.287 1.00 0.00 H new ATOM 426 N ASP A 47 14.230 -1.034 -6.225 1.00 0.00 N ATOM 427 CA ASP A 47 14.765 0.311 -6.157 1.00 0.00 C ATOM 428 C ASP A 47 15.650 0.482 -4.924 1.00 0.00 C ATOM 429 O ASP A 47 16.590 1.276 -4.928 1.00 0.00 O ATOM 430 CB ASP A 47 13.641 1.344 -6.127 1.00 0.00 C ATOM 431 CG ASP A 47 13.376 1.957 -7.488 1.00 0.00 C ATOM 432 OD1 ASP A 47 14.351 2.345 -8.165 1.00 0.00 O ATOM 433 OD2 ASP A 47 12.193 2.049 -7.877 1.00 0.00 O ATOM 0 H ASP A 47 14.574 -1.650 -5.488 1.00 0.00 H new ATOM 0 HA ASP A 47 15.368 0.471 -7.051 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.729 0.872 -5.761 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.897 2.134 -5.421 1.00 0.00 H new ATOM 438 N SER A 48 15.345 -0.268 -3.868 1.00 0.00 N ATOM 439 CA SER A 48 16.123 -0.189 -2.635 1.00 0.00 C ATOM 440 C SER A 48 17.546 -0.630 -2.900 1.00 0.00 C ATOM 441 O SER A 48 18.503 -0.024 -2.423 1.00 0.00 O ATOM 442 CB SER A 48 15.532 -1.070 -1.538 1.00 0.00 C ATOM 443 OG SER A 48 14.993 -0.287 -0.486 1.00 0.00 O ATOM 0 H SER A 48 14.571 -0.932 -3.841 1.00 0.00 H new ATOM 0 HA SER A 48 16.100 0.847 -2.297 1.00 0.00 H new ATOM 0 HB2 SER A 48 14.752 -1.705 -1.959 1.00 0.00 H new ATOM 0 HB3 SER A 48 16.304 -1.731 -1.144 1.00 0.00 H new ATOM 0 HG SER A 48 15.717 0.012 0.103 1.00 0.00 H new ATOM 449 N LEU A 49 17.669 -1.691 -3.686 1.00 0.00 N ATOM 450 CA LEU A 49 18.977 -2.221 -4.047 1.00 0.00 C ATOM 451 C LEU A 49 19.544 -1.441 -5.230 1.00 0.00 C ATOM 452 O LEU A 49 20.476 -1.876 -5.906 1.00 0.00 O ATOM 453 CB LEU A 49 18.862 -3.714 -4.371 1.00 0.00 C ATOM 454 CG LEU A 49 18.681 -4.054 -5.854 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.981 -4.577 -6.446 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.562 -5.069 -6.038 1.00 0.00 C ATOM 0 H LEU A 49 16.881 -2.201 -4.085 1.00 0.00 H new ATOM 0 HA LEU A 49 19.661 -2.108 -3.206 1.00 0.00 H new ATOM 0 HB2 LEU A 49 19.758 -4.217 -4.007 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.018 -4.125 -3.816 1.00 0.00 H new ATOM 0 HG LEU A 49 18.406 -3.142 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.832 -4.813 -7.500 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.756 -3.817 -6.350 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.288 -5.477 -5.913 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.449 -5.298 -7.098 1.00 0.00 H new ATOM 0 HD22 LEU A 49 17.805 -5.982 -5.494 1.00 0.00 H new ATOM 0 HD23 LEU A 49 16.629 -4.656 -5.654 1.00 0.00 H new ATOM 468 N TRP A 50 18.943 -0.287 -5.461 1.00 0.00 N ATOM 469 CA TRP A 50 19.313 0.605 -6.543 1.00 0.00 C ATOM 470 C TRP A 50 19.759 1.951 -5.983 1.00 0.00 C ATOM 471 O TRP A 50 20.333 2.781 -6.688 1.00 0.00 O ATOM 472 CB TRP A 50 18.102 0.815 -7.450 1.00 0.00 C ATOM 473 CG TRP A 50 17.386 -0.453 -7.806 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.939 -1.410 -6.945 1.00 0.00 C ATOM 475 CD2 TRP A 50 17.016 -0.888 -9.115 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.332 -2.428 -7.642 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.366 -2.128 -8.978 1.00 0.00 C ATOM 478 CE3 TRP A 50 17.178 -0.349 -10.388 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.880 -2.838 -10.074 1.00 0.00 C ATOM 480 CZ3 TRP A 50 16.695 -1.050 -11.476 1.00 0.00 C ATOM 481 CH2 TRP A 50 16.053 -2.285 -11.313 1.00 0.00 C ATOM 0 H TRP A 50 18.172 0.061 -4.892 1.00 0.00 H new ATOM 0 HA TRP A 50 20.134 0.164 -7.108 1.00 0.00 H new ATOM 0 HB2 TRP A 50 17.403 1.490 -6.956 1.00 0.00 H new ATOM 0 HB3 TRP A 50 18.427 1.307 -8.366 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.046 -1.374 -5.871 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.924 -3.268 -7.232 1.00 0.00 H new ATOM 0 HE3 TRP A 50 17.673 0.601 -10.523 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 15.385 -3.790 -9.950 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 16.814 -0.640 -12.468 1.00 0.00 H new ATOM 0 HH2 TRP A 50 15.688 -2.811 -12.183 1.00 0.00 H new ATOM 492 N GLU A 51 19.464 2.151 -4.707 1.00 0.00 N ATOM 493 CA GLU A 51 19.790 3.377 -4.006 1.00 0.00 C ATOM 494 C GLU A 51 21.296 3.509 -3.788 1.00 0.00 C ATOM 495 O GLU A 51 21.707 4.425 -3.044 1.00 0.00 O ATOM 496 CB GLU A 51 19.041 3.377 -2.673 1.00 0.00 C ATOM 497 CG GLU A 51 19.689 2.502 -1.614 1.00 0.00 C ATOM 498 CD GLU A 51 18.775 2.242 -0.432 1.00 0.00 C ATOM 499 OE1 GLU A 51 17.690 1.659 -0.637 1.00 0.00 O ATOM 500 OE2 GLU A 51 19.145 2.620 0.699 1.00 0.00 O ATOM 501 OXT GLU A 51 22.050 2.696 -4.362 1.00 0.00 O ATOM 0 H GLU A 51 18.988 1.460 -4.127 1.00 0.00 H new ATOM 0 HA GLU A 51 19.484 4.234 -4.605 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.979 4.399 -2.300 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.019 3.036 -2.839 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.978 1.551 -2.061 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.604 2.980 -1.263 1.00 0.00 H new TER 508 GLU A 51