USER MOD reduce.3.24.130724 H: found=0, std=0, add=246, rem=0, adj=6 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+ -152:sc= -0.0376 (180deg=-0.294) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0.073 X(o=0.073,f=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 38 LYS NZ :NH3+ -142:sc=-0.00149 (180deg=-0.112) 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 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -23.801 -5.864 2.197 1.00 0.00 N ATOM 2 CA LEU A 22 -23.782 -4.963 1.016 1.00 0.00 C ATOM 3 C LEU A 22 -23.129 -3.625 1.354 1.00 0.00 C ATOM 4 O LEU A 22 -23.679 -2.562 1.063 1.00 0.00 O ATOM 5 CB LEU A 22 -25.224 -4.748 0.546 1.00 0.00 C ATOM 6 CG LEU A 22 -25.708 -5.729 -0.523 1.00 0.00 C ATOM 7 CD1 LEU A 22 -27.212 -5.608 -0.716 1.00 0.00 C ATOM 8 CD2 LEU A 22 -24.979 -5.487 -1.837 1.00 0.00 C ATOM 0 HA LEU A 22 -23.193 -5.422 0.222 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -25.886 -4.819 1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -25.316 -3.734 0.156 1.00 0.00 H new ATOM 0 HG LEU A 22 -25.485 -6.742 -0.188 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -27.539 -6.313 -1.480 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -27.718 -5.830 0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -27.458 -4.594 -1.030 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -25.336 -6.194 -2.586 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -25.171 -4.469 -2.177 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -23.908 -5.624 -1.689 1.00 0.00 H new ATOM 22 N TYR A 23 -21.952 -3.685 1.968 1.00 0.00 N ATOM 23 CA TYR A 23 -21.225 -2.471 2.343 1.00 0.00 C ATOM 24 C TYR A 23 -19.767 -2.545 1.900 1.00 0.00 C ATOM 25 O TYR A 23 -19.277 -3.608 1.520 1.00 0.00 O ATOM 26 CB TYR A 23 -21.292 -2.251 3.856 1.00 0.00 C ATOM 27 CG TYR A 23 -22.675 -2.445 4.436 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.202 -3.718 4.617 1.00 0.00 C ATOM 29 CD2 TYR A 23 -23.454 -1.354 4.802 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.466 -3.898 5.146 1.00 0.00 C ATOM 31 CE2 TYR A 23 -24.718 -1.526 5.332 1.00 0.00 C ATOM 32 CZ TYR A 23 -25.220 -2.800 5.502 1.00 0.00 C ATOM 33 OH TYR A 23 -26.479 -2.975 6.029 1.00 0.00 O ATOM 0 H TYR A 23 -21.481 -4.555 2.217 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.700 -1.631 1.837 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.602 -2.939 4.345 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.950 -1.241 4.083 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -22.614 -4.581 4.340 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -23.065 -0.355 4.670 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -24.861 -4.894 5.280 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -25.310 -0.667 5.612 1.00 0.00 H new ATOM 0 HH TYR A 23 -26.875 -2.101 6.227 1.00 0.00 H new ATOM 43 N PRO A 24 -19.050 -1.408 1.947 1.00 0.00 N ATOM 44 CA PRO A 24 -17.649 -1.329 1.561 1.00 0.00 C ATOM 45 C PRO A 24 -16.756 -2.128 2.477 1.00 0.00 C ATOM 46 O PRO A 24 -17.200 -2.660 3.495 1.00 0.00 O ATOM 47 CB PRO A 24 -17.326 0.165 1.723 1.00 0.00 C ATOM 48 CG PRO A 24 -18.633 0.836 1.672 1.00 0.00 C ATOM 49 CD PRO A 24 -19.536 -0.098 2.386 1.00 0.00 C ATOM 0 HA PRO A 24 -17.485 -1.726 0.559 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.817 0.360 2.667 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -16.669 0.517 0.928 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.601 1.812 2.157 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -18.959 1.001 0.645 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.467 0.019 3.468 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.580 0.059 2.114 1.00 0.00 H new ATOM 57 N ASP A 25 -15.479 -2.150 2.146 1.00 0.00 N ATOM 58 CA ASP A 25 -14.504 -2.811 2.970 1.00 0.00 C ATOM 59 C ASP A 25 -14.438 -2.073 4.288 1.00 0.00 C ATOM 60 O ASP A 25 -13.964 -2.589 5.300 1.00 0.00 O ATOM 61 CB ASP A 25 -13.156 -2.768 2.274 1.00 0.00 C ATOM 62 CG ASP A 25 -12.286 -3.966 2.599 1.00 0.00 C ATOM 63 OD1 ASP A 25 -11.627 -3.951 3.660 1.00 0.00 O ATOM 64 OD2 ASP A 25 -12.263 -4.920 1.792 1.00 0.00 O ATOM 0 H ASP A 25 -15.098 -1.713 1.306 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.775 -3.853 3.141 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.311 -2.719 1.196 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.633 -1.856 2.562 1.00 0.00 H new ATOM 69 N LEU A 26 -14.911 -0.831 4.237 1.00 0.00 N ATOM 70 CA LEU A 26 -14.918 0.050 5.375 1.00 0.00 C ATOM 71 C LEU A 26 -13.491 0.440 5.736 1.00 0.00 C ATOM 72 O LEU A 26 -13.258 1.234 6.648 1.00 0.00 O ATOM 73 CB LEU A 26 -15.642 -0.592 6.560 1.00 0.00 C ATOM 74 CG LEU A 26 -16.946 0.097 6.968 1.00 0.00 C ATOM 75 CD1 LEU A 26 -17.616 -0.658 8.105 1.00 0.00 C ATOM 76 CD2 LEU A 26 -16.682 1.542 7.367 1.00 0.00 C ATOM 0 H LEU A 26 -15.301 -0.415 3.392 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.466 0.956 5.117 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -15.859 -1.632 6.315 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -14.969 -0.600 7.417 1.00 0.00 H new ATOM 0 HG LEU A 26 -17.620 0.094 6.111 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -18.542 -0.153 8.381 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -17.839 -1.675 7.784 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -16.948 -0.687 8.966 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -17.620 2.017 7.654 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -15.990 1.566 8.209 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -16.247 2.079 6.524 1.00 0.00 H new ATOM 88 N SER A 27 -12.541 -0.115 4.988 1.00 0.00 N ATOM 89 CA SER A 27 -11.138 0.173 5.191 1.00 0.00 C ATOM 90 C SER A 27 -10.405 0.354 3.864 1.00 0.00 C ATOM 91 O SER A 27 -9.183 0.506 3.850 1.00 0.00 O ATOM 92 CB SER A 27 -10.469 -0.925 6.001 1.00 0.00 C ATOM 93 OG SER A 27 -11.186 -1.194 7.194 1.00 0.00 O ATOM 0 H SER A 27 -12.728 -0.772 4.231 1.00 0.00 H new ATOM 0 HA SER A 27 -11.080 1.109 5.746 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.402 -1.833 5.402 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.449 -0.629 6.246 1.00 0.00 H new ATOM 0 HG SER A 27 -10.734 -1.905 7.694 1.00 0.00 H new ATOM 99 N GLU A 28 -11.139 0.358 2.744 1.00 0.00 N ATOM 100 CA GLU A 28 -10.517 0.546 1.439 1.00 0.00 C ATOM 101 C GLU A 28 -10.109 2.016 1.264 1.00 0.00 C ATOM 102 O GLU A 28 -10.282 2.613 0.202 1.00 0.00 O ATOM 103 CB GLU A 28 -11.473 0.130 0.315 1.00 0.00 C ATOM 104 CG GLU A 28 -11.392 -1.343 -0.059 1.00 0.00 C ATOM 105 CD GLU A 28 -12.544 -1.781 -0.942 1.00 0.00 C ATOM 106 OE1 GLU A 28 -13.618 -1.145 -0.875 1.00 0.00 O ATOM 107 OE2 GLU A 28 -12.375 -2.760 -1.698 1.00 0.00 O ATOM 0 H GLU A 28 -12.151 0.234 2.720 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.629 -0.084 1.385 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.494 0.361 0.618 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.259 0.730 -0.569 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -10.451 -1.533 -0.575 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.385 -1.946 0.849 1.00 0.00 H new ATOM 114 N ILE A 29 -9.554 2.559 2.336 1.00 0.00 N ATOM 115 CA ILE A 29 -9.066 3.927 2.436 1.00 0.00 C ATOM 116 C ILE A 29 -8.433 3.977 3.798 1.00 0.00 C ATOM 117 O ILE A 29 -8.725 4.804 4.662 1.00 0.00 O ATOM 118 CB ILE A 29 -10.176 4.991 2.305 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.432 4.552 3.064 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.494 5.249 0.840 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.884 5.550 4.108 1.00 0.00 C ATOM 0 H ILE A 29 -9.425 2.034 3.201 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.381 4.162 1.621 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.819 5.921 2.746 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.241 4.392 2.351 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.239 3.594 3.547 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.279 6.002 0.765 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.599 5.606 0.331 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -10.833 4.324 0.373 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.778 5.175 4.607 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.091 5.692 4.843 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.109 6.502 3.628 1.00 0.00 H new ATOM 133 N LYS A 30 -7.616 2.965 3.943 1.00 0.00 N ATOM 134 CA LYS A 30 -6.899 2.627 5.138 1.00 0.00 C ATOM 135 C LYS A 30 -5.983 1.483 4.756 1.00 0.00 C ATOM 136 O LYS A 30 -4.797 1.471 5.064 1.00 0.00 O ATOM 137 CB LYS A 30 -7.892 2.192 6.210 1.00 0.00 C ATOM 138 CG LYS A 30 -7.442 2.493 7.631 1.00 0.00 C ATOM 139 CD LYS A 30 -7.252 1.220 8.440 1.00 0.00 C ATOM 140 CE LYS A 30 -6.948 1.526 9.898 1.00 0.00 C ATOM 141 NZ LYS A 30 -6.730 0.286 10.692 1.00 0.00 N ATOM 0 H LYS A 30 -7.424 2.317 3.179 1.00 0.00 H new ATOM 0 HA LYS A 30 -6.329 3.466 5.537 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.846 2.688 6.029 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -8.067 1.120 6.115 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -6.507 3.052 7.606 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -8.180 3.129 8.120 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -8.152 0.609 8.376 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.438 0.634 8.013 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -6.061 2.157 9.959 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -7.773 2.093 10.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -6.526 0.538 11.680 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.585 -0.305 10.655 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -5.927 -0.243 10.296 1.00 0.00 H new ATOM 155 N LYS A 31 -6.584 0.564 3.997 1.00 0.00 N ATOM 156 CA LYS A 31 -5.919 -0.580 3.430 1.00 0.00 C ATOM 157 C LYS A 31 -5.075 -0.079 2.271 1.00 0.00 C ATOM 158 O LYS A 31 -3.871 -0.309 2.206 1.00 0.00 O ATOM 159 CB LYS A 31 -6.974 -1.562 2.910 1.00 0.00 C ATOM 160 CG LYS A 31 -6.465 -2.981 2.730 1.00 0.00 C ATOM 161 CD LYS A 31 -5.687 -3.126 1.431 1.00 0.00 C ATOM 162 CE LYS A 31 -6.508 -2.683 0.229 1.00 0.00 C ATOM 163 NZ LYS A 31 -7.886 -3.245 0.259 1.00 0.00 N ATOM 0 H LYS A 31 -7.575 0.609 3.761 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.298 -1.085 4.170 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.816 -1.575 3.602 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.353 -1.199 1.954 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.827 -3.251 3.571 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.306 -3.675 2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -4.774 -2.533 1.486 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.385 -4.165 1.302 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -6.561 -1.594 0.207 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.008 -2.997 -0.687 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.243 -3.341 -0.713 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -7.870 -4.179 0.716 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.509 -2.608 0.795 1.00 0.00 H new ATOM 177 N GLU A 32 -5.738 0.670 1.389 1.00 0.00 N ATOM 178 CA GLU A 32 -5.080 1.297 0.245 1.00 0.00 C ATOM 179 C GLU A 32 -4.065 2.289 0.771 1.00 0.00 C ATOM 180 O GLU A 32 -3.047 2.575 0.140 1.00 0.00 O ATOM 181 CB GLU A 32 -6.085 2.030 -0.645 1.00 0.00 C ATOM 182 CG GLU A 32 -7.496 1.521 -0.506 1.00 0.00 C ATOM 183 CD GLU A 32 -8.199 1.348 -1.838 1.00 0.00 C ATOM 184 OE1 GLU A 32 -7.783 2.000 -2.819 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.166 0.560 -1.901 1.00 0.00 O ATOM 0 H GLU A 32 -6.739 0.857 1.447 1.00 0.00 H new ATOM 0 HA GLU A 32 -4.601 0.524 -0.356 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.065 3.093 -0.403 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -5.774 1.935 -1.685 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.481 0.565 0.017 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.067 2.214 0.112 1.00 0.00 H new ATOM 192 N TYR A 33 -4.351 2.766 1.975 1.00 0.00 N ATOM 193 CA TYR A 33 -3.484 3.685 2.676 1.00 0.00 C ATOM 194 C TYR A 33 -2.417 2.865 3.345 1.00 0.00 C ATOM 195 O TYR A 33 -1.304 3.319 3.609 1.00 0.00 O ATOM 196 CB TYR A 33 -4.299 4.453 3.703 1.00 0.00 C ATOM 197 CG TYR A 33 -3.513 4.859 4.919 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.636 5.927 4.871 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.653 4.169 6.109 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.911 6.303 5.986 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.936 4.533 7.232 1.00 0.00 C ATOM 202 CZ TYR A 33 -2.065 5.603 7.166 1.00 0.00 C ATOM 203 OH TYR A 33 -1.347 5.971 8.281 1.00 0.00 O ATOM 0 H TYR A 33 -5.197 2.521 2.490 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.029 4.407 1.997 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.711 5.346 3.233 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -5.144 3.839 4.016 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.516 6.476 3.948 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.334 3.332 6.161 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.229 7.139 5.935 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.056 3.985 8.155 1.00 0.00 H new ATOM 0 HH TYR A 33 -1.573 5.377 9.027 1.00 0.00 H new ATOM 213 N ASN A 34 -2.795 1.631 3.589 1.00 0.00 N ATOM 214 CA ASN A 34 -1.942 0.670 4.195 1.00 0.00 C ATOM 215 C ASN A 34 -1.073 0.015 3.151 1.00 0.00 C ATOM 216 O ASN A 34 -0.106 -0.678 3.466 1.00 0.00 O ATOM 217 CB ASN A 34 -2.784 -0.384 4.885 1.00 0.00 C ATOM 218 CG ASN A 34 -2.148 -0.911 6.156 1.00 0.00 C ATOM 219 OD1 ASN A 34 -2.539 -0.536 7.261 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.160 -1.785 6.004 1.00 0.00 N ATOM 0 H ASN A 34 -3.723 1.274 3.363 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.304 1.169 4.925 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.761 0.037 5.122 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -2.952 -1.214 4.198 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -0.693 -2.174 6.823 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -0.869 -2.068 5.068 1.00 0.00 H new ATOM 227 N VAL A 35 -1.446 0.220 1.903 1.00 0.00 N ATOM 228 CA VAL A 35 -0.723 -0.369 0.808 1.00 0.00 C ATOM 229 C VAL A 35 0.117 0.652 0.064 1.00 0.00 C ATOM 230 O VAL A 35 1.176 0.333 -0.451 1.00 0.00 O ATOM 231 CB VAL A 35 -1.665 -1.060 -0.189 1.00 0.00 C ATOM 232 CG1 VAL A 35 -0.876 -1.724 -1.309 1.00 0.00 C ATOM 233 CG2 VAL A 35 -2.553 -2.071 0.518 1.00 0.00 C ATOM 0 H VAL A 35 -2.246 0.791 1.629 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.062 -1.113 1.253 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.306 -0.298 -0.632 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.565 -2.207 -2.002 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.294 -0.971 -1.840 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -0.203 -2.471 -0.887 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.211 -2.548 -0.208 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -1.932 -2.828 0.997 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.153 -1.563 1.273 1.00 0.00 H new ATOM 243 N LYS A 36 -0.370 1.874 0.011 1.00 0.00 N ATOM 244 CA LYS A 36 0.315 2.949 -0.664 1.00 0.00 C ATOM 245 C LYS A 36 1.689 3.156 -0.069 1.00 0.00 C ATOM 246 O LYS A 36 2.618 3.607 -0.735 1.00 0.00 O ATOM 247 CB LYS A 36 -0.486 4.227 -0.537 1.00 0.00 C ATOM 248 CG LYS A 36 -0.834 4.555 0.899 1.00 0.00 C ATOM 249 CD LYS A 36 0.277 5.339 1.580 1.00 0.00 C ATOM 250 CE LYS A 36 -0.276 6.499 2.392 1.00 0.00 C ATOM 251 NZ LYS A 36 0.710 7.608 2.521 1.00 0.00 N ATOM 0 H LYS A 36 -1.255 2.148 0.437 1.00 0.00 H new ATOM 0 HA LYS A 36 0.421 2.686 -1.717 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.082 5.052 -0.967 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -1.404 4.135 -1.118 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.758 5.133 0.927 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.019 3.632 1.449 1.00 0.00 H new ATOM 0 HD2 LYS A 36 0.845 4.675 2.232 1.00 0.00 H new ATOM 0 HD3 LYS A 36 0.970 5.717 0.829 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.183 6.874 1.918 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -0.557 6.146 3.384 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 0.294 8.379 3.081 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 1.566 7.258 2.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 0.959 7.963 1.576 1.00 0.00 H new ATOM 265 N GLU A 37 1.789 2.807 1.198 1.00 0.00 N ATOM 266 CA GLU A 37 3.032 2.923 1.943 1.00 0.00 C ATOM 267 C GLU A 37 3.925 1.727 1.647 1.00 0.00 C ATOM 268 O GLU A 37 5.145 1.782 1.800 1.00 0.00 O ATOM 269 CB GLU A 37 2.751 3.013 3.444 1.00 0.00 C ATOM 270 CG GLU A 37 2.073 1.777 4.012 1.00 0.00 C ATOM 271 CD GLU A 37 2.324 1.606 5.497 1.00 0.00 C ATOM 272 OE1 GLU A 37 2.105 2.576 6.252 1.00 0.00 O ATOM 273 OE2 GLU A 37 2.739 0.501 5.905 1.00 0.00 O ATOM 0 H GLU A 37 1.011 2.434 1.743 1.00 0.00 H new ATOM 0 HA GLU A 37 3.543 3.835 1.633 1.00 0.00 H new ATOM 0 HB2 GLU A 37 3.691 3.176 3.972 1.00 0.00 H new ATOM 0 HB3 GLU A 37 2.122 3.882 3.636 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.000 1.841 3.834 1.00 0.00 H new ATOM 0 HG3 GLU A 37 2.432 0.894 3.482 1.00 0.00 H new ATOM 280 N LYS A 38 3.288 0.652 1.205 1.00 0.00 N ATOM 281 CA LYS A 38 3.956 -0.573 0.856 1.00 0.00 C ATOM 282 C LYS A 38 4.140 -0.643 -0.627 1.00 0.00 C ATOM 283 O LYS A 38 5.116 -1.181 -1.121 1.00 0.00 O ATOM 284 CB LYS A 38 3.128 -1.751 1.323 1.00 0.00 C ATOM 285 CG LYS A 38 3.686 -3.096 0.905 1.00 0.00 C ATOM 286 CD LYS A 38 2.710 -4.217 1.218 1.00 0.00 C ATOM 287 CE LYS A 38 2.920 -5.412 0.301 1.00 0.00 C ATOM 288 NZ LYS A 38 2.431 -5.146 -1.079 1.00 0.00 N ATOM 0 H LYS A 38 2.276 0.616 1.080 1.00 0.00 H new ATOM 0 HA LYS A 38 4.932 -0.602 1.340 1.00 0.00 H new ATOM 0 HB2 LYS A 38 3.052 -1.722 2.410 1.00 0.00 H new ATOM 0 HB3 LYS A 38 2.116 -1.650 0.930 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.903 -3.087 -0.163 1.00 0.00 H new ATOM 0 HG3 LYS A 38 4.629 -3.277 1.420 1.00 0.00 H new ATOM 0 HD2 LYS A 38 2.832 -4.528 2.256 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.689 -3.851 1.113 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.980 -5.662 0.268 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.400 -6.279 0.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.990 -6.006 -1.463 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 1.730 -4.378 -1.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 3.231 -4.868 -1.683 1.00 0.00 H new ATOM 302 N ASP A 39 3.207 -0.048 -1.324 1.00 0.00 N ATOM 303 CA ASP A 39 3.276 0.004 -2.768 1.00 0.00 C ATOM 304 C ASP A 39 4.261 1.084 -3.170 1.00 0.00 C ATOM 305 O ASP A 39 4.357 1.465 -4.337 1.00 0.00 O ATOM 306 CB ASP A 39 1.904 0.284 -3.358 1.00 0.00 C ATOM 307 CG ASP A 39 1.663 -0.462 -4.655 1.00 0.00 C ATOM 308 OD1 ASP A 39 1.802 -1.703 -4.661 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.338 0.195 -5.666 1.00 0.00 O ATOM 0 H ASP A 39 2.390 0.408 -0.919 1.00 0.00 H new ATOM 0 HA ASP A 39 3.612 -0.958 -3.153 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.138 0.004 -2.635 1.00 0.00 H new ATOM 0 HB3 ASP A 39 1.800 1.355 -3.534 1.00 0.00 H new ATOM 314 N GLN A 40 4.976 1.588 -2.168 1.00 0.00 N ATOM 315 CA GLN A 40 5.939 2.637 -2.368 1.00 0.00 C ATOM 316 C GLN A 40 7.308 2.300 -1.766 1.00 0.00 C ATOM 317 O GLN A 40 8.327 2.838 -2.198 1.00 0.00 O ATOM 318 CB GLN A 40 5.387 3.932 -1.778 1.00 0.00 C ATOM 319 CG GLN A 40 5.485 4.023 -0.262 1.00 0.00 C ATOM 320 CD GLN A 40 5.975 5.378 0.211 1.00 0.00 C ATOM 321 OE1 GLN A 40 7.177 5.638 0.247 1.00 0.00 O ATOM 322 NE2 GLN A 40 5.042 6.249 0.578 1.00 0.00 N ATOM 0 H GLN A 40 4.896 1.273 -1.201 1.00 0.00 H new ATOM 0 HA GLN A 40 6.100 2.755 -3.440 1.00 0.00 H new ATOM 0 HB2 GLN A 40 5.923 4.774 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.342 4.033 -2.069 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.506 3.822 0.174 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.161 3.249 0.102 1.00 0.00 H new ATOM 0 HE21 GLN A 40 4.056 5.990 0.532 1.00 0.00 H new ATOM 0 HE22 GLN A 40 5.311 7.177 0.906 1.00 0.00 H new ATOM 331 N VAL A 41 7.331 1.421 -0.764 1.00 0.00 N ATOM 332 CA VAL A 41 8.585 1.045 -0.117 1.00 0.00 C ATOM 333 C VAL A 41 9.278 -0.097 -0.840 1.00 0.00 C ATOM 334 O VAL A 41 10.476 -0.025 -1.104 1.00 0.00 O ATOM 335 CB VAL A 41 8.379 0.678 1.359 1.00 0.00 C ATOM 336 CG1 VAL A 41 9.669 0.164 1.984 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.844 1.869 2.138 1.00 0.00 C ATOM 0 H VAL A 41 6.503 0.960 -0.386 1.00 0.00 H new ATOM 0 HA VAL A 41 9.228 1.924 -0.168 1.00 0.00 H new ATOM 0 HB VAL A 41 7.642 -0.124 1.405 1.00 0.00 H new ATOM 0 HG11 VAL A 41 9.492 -0.088 3.030 1.00 0.00 H new ATOM 0 HG12 VAL A 41 10.004 -0.724 1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 41 10.436 0.936 1.922 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.705 1.588 3.182 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.554 2.693 2.076 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.889 2.181 1.716 1.00 0.00 H new ATOM 347 N GLU A 42 8.529 -1.147 -1.156 1.00 0.00 N ATOM 348 CA GLU A 42 9.099 -2.307 -1.864 1.00 0.00 C ATOM 349 C GLU A 42 10.114 -1.833 -2.903 1.00 0.00 C ATOM 350 O GLU A 42 11.139 -2.474 -3.132 1.00 0.00 O ATOM 351 CB GLU A 42 8.027 -3.172 -2.559 1.00 0.00 C ATOM 352 CG GLU A 42 6.596 -2.666 -2.448 1.00 0.00 C ATOM 353 CD GLU A 42 5.688 -3.263 -3.505 1.00 0.00 C ATOM 354 OE1 GLU A 42 5.719 -2.780 -4.656 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.945 -4.214 -3.181 1.00 0.00 O ATOM 0 H GLU A 42 7.535 -1.228 -0.940 1.00 0.00 H new ATOM 0 HA GLU A 42 9.583 -2.929 -1.111 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.282 -3.255 -3.615 1.00 0.00 H new ATOM 0 HB3 GLU A 42 8.071 -4.178 -2.141 1.00 0.00 H new ATOM 0 HG2 GLU A 42 6.205 -2.906 -1.459 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.590 -1.580 -2.539 1.00 0.00 H new ATOM 362 N ASP A 43 9.816 -0.687 -3.505 1.00 0.00 N ATOM 363 CA ASP A 43 10.686 -0.079 -4.502 1.00 0.00 C ATOM 364 C ASP A 43 12.049 0.194 -3.920 1.00 0.00 C ATOM 365 O ASP A 43 13.075 -0.195 -4.471 1.00 0.00 O ATOM 366 CB ASP A 43 10.078 1.235 -4.984 1.00 0.00 C ATOM 367 CG ASP A 43 9.493 1.134 -6.378 1.00 0.00 C ATOM 368 OD1 ASP A 43 8.734 0.175 -6.636 1.00 0.00 O ATOM 369 OD2 ASP A 43 9.793 2.012 -7.214 1.00 0.00 O ATOM 0 H ASP A 43 8.966 -0.155 -3.316 1.00 0.00 H new ATOM 0 HA ASP A 43 10.787 -0.771 -5.338 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.298 1.546 -4.289 1.00 0.00 H new ATOM 0 HB3 ASP A 43 10.844 2.011 -4.971 1.00 0.00 H new ATOM 374 N LEU A 44 12.049 0.880 -2.805 1.00 0.00 N ATOM 375 CA LEU A 44 13.277 1.232 -2.145 1.00 0.00 C ATOM 376 C LEU A 44 13.994 0.022 -1.566 1.00 0.00 C ATOM 377 O LEU A 44 14.890 0.146 -0.731 1.00 0.00 O ATOM 378 CB LEU A 44 13.036 2.306 -1.097 1.00 0.00 C ATOM 379 CG LEU A 44 12.991 3.707 -1.694 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.632 4.351 -1.462 1.00 0.00 C ATOM 381 CD2 LEU A 44 14.105 4.575 -1.124 1.00 0.00 C ATOM 0 H LEU A 44 11.205 1.207 -2.334 1.00 0.00 H new ATOM 0 HA LEU A 44 13.946 1.644 -2.900 1.00 0.00 H new ATOM 0 HB2 LEU A 44 12.096 2.103 -0.584 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.825 2.260 -0.347 1.00 0.00 H new ATOM 0 HG LEU A 44 13.146 3.621 -2.770 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.624 5.350 -1.897 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.857 3.745 -1.931 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.440 4.420 -0.391 1.00 0.00 H new ATOM 0 HD21 LEU A 44 14.053 5.570 -1.565 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.990 4.651 -0.043 1.00 0.00 H new ATOM 0 HD23 LEU A 44 15.071 4.126 -1.356 1.00 0.00 H new ATOM 393 N ASN A 45 13.619 -1.139 -2.063 1.00 0.00 N ATOM 394 CA ASN A 45 14.232 -2.394 -1.671 1.00 0.00 C ATOM 395 C ASN A 45 14.524 -3.212 -2.926 1.00 0.00 C ATOM 396 O ASN A 45 15.518 -3.933 -3.001 1.00 0.00 O ATOM 397 CB ASN A 45 13.322 -3.168 -0.715 1.00 0.00 C ATOM 398 CG ASN A 45 14.012 -3.508 0.592 1.00 0.00 C ATOM 399 OD1 ASN A 45 14.976 -4.274 0.618 1.00 0.00 O ATOM 400 ND2 ASN A 45 13.521 -2.939 1.686 1.00 0.00 N ATOM 0 H ASN A 45 12.876 -1.240 -2.754 1.00 0.00 H new ATOM 0 HA ASN A 45 15.164 -2.195 -1.143 1.00 0.00 H new ATOM 0 HB2 ASN A 45 12.430 -2.577 -0.509 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.991 -4.087 -1.198 1.00 0.00 H new ATOM 0 HD21 ASN A 45 13.944 -3.130 2.594 1.00 0.00 H new ATOM 0 HD22 ASN A 45 12.721 -2.310 1.619 1.00 0.00 H new ATOM 407 N LEU A 46 13.655 -3.054 -3.922 1.00 0.00 N ATOM 408 CA LEU A 46 13.802 -3.725 -5.203 1.00 0.00 C ATOM 409 C LEU A 46 13.738 -2.683 -6.308 1.00 0.00 C ATOM 410 O LEU A 46 13.094 -2.868 -7.340 1.00 0.00 O ATOM 411 CB LEU A 46 12.711 -4.777 -5.388 1.00 0.00 C ATOM 412 CG LEU A 46 13.209 -6.222 -5.480 1.00 0.00 C ATOM 413 CD1 LEU A 46 13.103 -6.911 -4.129 1.00 0.00 C ATOM 414 CD2 LEU A 46 12.425 -6.990 -6.535 1.00 0.00 C ATOM 0 H LEU A 46 12.831 -2.456 -3.860 1.00 0.00 H new ATOM 0 HA LEU A 46 14.763 -4.238 -5.240 1.00 0.00 H new ATOM 0 HB2 LEU A 46 12.012 -4.703 -4.555 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.153 -4.543 -6.295 1.00 0.00 H new ATOM 0 HG LEU A 46 14.258 -6.206 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 46 13.461 -7.937 -4.215 1.00 0.00 H new ATOM 0 HD12 LEU A 46 13.709 -6.375 -3.399 1.00 0.00 H new ATOM 0 HD13 LEU A 46 12.063 -6.916 -3.804 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.792 -8.015 -6.587 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.368 -6.996 -6.270 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.553 -6.509 -7.505 1.00 0.00 H new ATOM 426 N ASP A 47 14.423 -1.583 -6.050 1.00 0.00 N ATOM 427 CA ASP A 47 14.493 -0.456 -6.962 1.00 0.00 C ATOM 428 C ASP A 47 15.399 0.647 -6.411 1.00 0.00 C ATOM 429 O ASP A 47 15.959 1.434 -7.167 1.00 0.00 O ATOM 430 CB ASP A 47 13.105 0.125 -7.218 1.00 0.00 C ATOM 431 CG ASP A 47 12.431 -0.470 -8.438 1.00 0.00 C ATOM 432 OD1 ASP A 47 12.856 -0.149 -9.566 1.00 0.00 O ATOM 433 OD2 ASP A 47 11.474 -1.253 -8.264 1.00 0.00 O ATOM 0 H ASP A 47 14.953 -1.446 -5.189 1.00 0.00 H new ATOM 0 HA ASP A 47 14.910 -0.827 -7.898 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.478 -0.047 -6.343 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.187 1.205 -7.345 1.00 0.00 H new ATOM 438 N SER A 48 15.536 0.718 -5.094 1.00 0.00 N ATOM 439 CA SER A 48 16.388 1.736 -4.497 1.00 0.00 C ATOM 440 C SER A 48 17.832 1.263 -4.481 1.00 0.00 C ATOM 441 O SER A 48 18.759 2.069 -4.484 1.00 0.00 O ATOM 442 CB SER A 48 15.966 2.071 -3.069 1.00 0.00 C ATOM 443 OG SER A 48 16.999 2.750 -2.377 1.00 0.00 O ATOM 0 H SER A 48 15.077 0.095 -4.429 1.00 0.00 H new ATOM 0 HA SER A 48 16.288 2.635 -5.106 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.069 2.690 -3.088 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.710 1.154 -2.538 1.00 0.00 H new ATOM 0 HG SER A 48 16.850 2.675 -1.411 1.00 0.00 H new ATOM 449 N LEU A 49 18.017 -0.054 -4.455 1.00 0.00 N ATOM 450 CA LEU A 49 19.359 -0.623 -4.437 1.00 0.00 C ATOM 451 C LEU A 49 19.711 -1.227 -5.787 1.00 0.00 C ATOM 452 O LEU A 49 20.685 -1.966 -5.927 1.00 0.00 O ATOM 453 CB LEU A 49 19.489 -1.665 -3.325 1.00 0.00 C ATOM 454 CG LEU A 49 18.845 -3.021 -3.628 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.887 -4.008 -4.137 1.00 0.00 C ATOM 456 CD2 LEU A 49 18.147 -3.568 -2.391 1.00 0.00 C ATOM 0 H LEU A 49 17.262 -0.740 -4.446 1.00 0.00 H new ATOM 0 HA LEU A 49 20.065 0.182 -4.234 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.547 -1.821 -3.116 1.00 0.00 H new ATOM 0 HB3 LEU A 49 19.041 -1.262 -2.417 1.00 0.00 H new ATOM 0 HG LEU A 49 18.098 -2.880 -4.409 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.410 -4.965 -4.347 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.340 -3.621 -5.050 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.659 -4.145 -3.379 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.695 -4.532 -2.625 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.874 -3.693 -1.588 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.371 -2.871 -2.073 1.00 0.00 H new ATOM 468 N TRP A 50 18.918 -0.870 -6.775 1.00 0.00 N ATOM 469 CA TRP A 50 19.116 -1.318 -8.144 1.00 0.00 C ATOM 470 C TRP A 50 19.461 -0.108 -9.013 1.00 0.00 C ATOM 471 O TRP A 50 19.767 -0.222 -10.200 1.00 0.00 O ATOM 472 CB TRP A 50 17.838 -2.015 -8.640 1.00 0.00 C ATOM 473 CG TRP A 50 16.908 -1.102 -9.361 1.00 0.00 C ATOM 474 CD1 TRP A 50 16.779 0.213 -9.122 1.00 0.00 C ATOM 475 CD2 TRP A 50 15.989 -1.422 -10.407 1.00 0.00 C ATOM 476 NE1 TRP A 50 15.847 0.767 -9.968 1.00 0.00 N ATOM 477 CE2 TRP A 50 15.343 -0.226 -10.770 1.00 0.00 C ATOM 478 CE3 TRP A 50 15.655 -2.598 -11.075 1.00 0.00 C ATOM 479 CZ2 TRP A 50 14.381 -0.174 -11.776 1.00 0.00 C ATOM 480 CZ3 TRP A 50 14.699 -2.549 -12.073 1.00 0.00 C ATOM 481 CH2 TRP A 50 14.073 -1.344 -12.416 1.00 0.00 C ATOM 0 H TRP A 50 18.112 -0.257 -6.654 1.00 0.00 H new ATOM 0 HA TRP A 50 19.937 -2.033 -8.200 1.00 0.00 H new ATOM 0 HB2 TRP A 50 18.114 -2.836 -9.301 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.318 -2.453 -7.788 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.330 0.759 -8.371 1.00 0.00 H new ATOM 0 HE1 TRP A 50 15.576 1.750 -9.995 1.00 0.00 H new ATOM 0 HE3 TRP A 50 16.134 -3.531 -10.818 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 13.897 0.754 -12.041 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 14.431 -3.455 -12.596 1.00 0.00 H new ATOM 0 HH2 TRP A 50 13.332 -1.338 -13.202 1.00 0.00 H new ATOM 492 N GLU A 51 19.355 1.055 -8.378 1.00 0.00 N ATOM 493 CA GLU A 51 19.584 2.343 -8.995 1.00 0.00 C ATOM 494 C GLU A 51 21.073 2.675 -9.063 1.00 0.00 C ATOM 495 O GLU A 51 21.464 3.460 -9.951 1.00 0.00 O ATOM 496 CB GLU A 51 18.831 3.375 -8.155 1.00 0.00 C ATOM 497 CG GLU A 51 19.408 3.532 -6.764 1.00 0.00 C ATOM 498 CD GLU A 51 18.547 4.399 -5.866 1.00 0.00 C ATOM 499 OE1 GLU A 51 17.347 4.563 -6.171 1.00 0.00 O ATOM 500 OE2 GLU A 51 19.072 4.915 -4.857 1.00 0.00 O ATOM 501 OXT GLU A 51 21.835 2.146 -8.226 1.00 0.00 O ATOM 0 H GLU A 51 19.100 1.122 -7.393 1.00 0.00 H new ATOM 0 HA GLU A 51 19.226 2.341 -10.024 1.00 0.00 H new ATOM 0 HB2 GLU A 51 18.855 4.338 -8.664 1.00 0.00 H new ATOM 0 HB3 GLU A 51 17.784 3.081 -8.078 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.523 2.548 -6.310 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.404 3.968 -6.836 1.00 0.00 H new TER 508 GLU A 51