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+ -157:sc= -0.0568 (180deg=-0.282) USER MOD Single : A 33 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -155:sc= -0.0528 (180deg=-0.568) 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 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot -170:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 22 -24.970 -5.029 1.880 1.00 0.00 N ATOM 2 CA LEU A 22 -23.778 -5.190 2.754 1.00 0.00 C ATOM 3 C LEU A 22 -23.129 -3.841 3.052 1.00 0.00 C ATOM 4 O LEU A 22 -23.741 -2.792 2.855 1.00 0.00 O ATOM 5 CB LEU A 22 -22.781 -6.115 2.051 1.00 0.00 C ATOM 6 CG LEU A 22 -23.393 -7.361 1.408 1.00 0.00 C ATOM 7 CD1 LEU A 22 -23.723 -7.101 -0.054 1.00 0.00 C ATOM 8 CD2 LEU A 22 -22.450 -8.547 1.541 1.00 0.00 C ATOM 0 HA LEU A 22 -24.085 -5.623 3.706 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -22.262 -5.545 1.280 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -22.029 -6.431 2.775 1.00 0.00 H new ATOM 0 HG LEU A 22 -24.319 -7.598 1.931 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -24.157 -7.999 -0.494 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -24.437 -6.280 -0.126 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -22.812 -6.838 -0.591 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -22.902 -9.425 1.078 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -21.507 -8.319 1.044 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -22.265 -8.748 2.596 1.00 0.00 H new ATOM 22 N TYR A 23 -21.886 -3.875 3.525 1.00 0.00 N ATOM 23 CA TYR A 23 -21.157 -2.646 3.845 1.00 0.00 C ATOM 24 C TYR A 23 -19.802 -2.615 3.145 1.00 0.00 C ATOM 25 O TYR A 23 -19.339 -3.629 2.623 1.00 0.00 O ATOM 26 CB TYR A 23 -20.955 -2.510 5.358 1.00 0.00 C ATOM 27 CG TYR A 23 -22.167 -2.904 6.173 1.00 0.00 C ATOM 28 CD1 TYR A 23 -23.197 -2.001 6.401 1.00 0.00 C ATOM 29 CD2 TYR A 23 -22.280 -4.179 6.714 1.00 0.00 C ATOM 30 CE1 TYR A 23 -24.306 -2.356 7.145 1.00 0.00 C ATOM 31 CE2 TYR A 23 -23.386 -4.542 7.458 1.00 0.00 C ATOM 32 CZ TYR A 23 -24.396 -3.628 7.671 1.00 0.00 C ATOM 33 OH TYR A 23 -25.499 -3.986 8.412 1.00 0.00 O ATOM 0 H TYR A 23 -21.363 -4.734 3.695 1.00 0.00 H new ATOM 0 HA TYR A 23 -21.756 -1.808 3.489 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -20.109 -3.128 5.659 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -20.693 -1.477 5.589 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -23.130 -1.005 5.990 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -21.491 -4.898 6.550 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -25.098 -1.641 7.314 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -23.459 -5.537 7.871 1.00 0.00 H new ATOM 0 HH TYR A 23 -25.407 -4.916 8.708 1.00 0.00 H new ATOM 43 N PRO A 24 -19.142 -1.444 3.133 1.00 0.00 N ATOM 44 CA PRO A 24 -17.837 -1.269 2.511 1.00 0.00 C ATOM 45 C PRO A 24 -16.771 -2.094 3.186 1.00 0.00 C ATOM 46 O PRO A 24 -17.025 -2.770 4.182 1.00 0.00 O ATOM 47 CB PRO A 24 -17.543 0.221 2.741 1.00 0.00 C ATOM 48 CG PRO A 24 -18.863 0.832 2.947 1.00 0.00 C ATOM 49 CD PRO A 24 -19.601 -0.187 3.732 1.00 0.00 C ATOM 0 HA PRO A 24 -17.839 -1.578 1.466 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -16.898 0.369 3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -17.032 0.661 1.885 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -18.788 1.776 3.486 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -19.359 1.044 2.000 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -19.362 -0.133 4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -20.680 -0.065 3.642 1.00 0.00 H new ATOM 57 N ASP A 25 -15.559 -1.982 2.677 1.00 0.00 N ATOM 58 CA ASP A 25 -14.437 -2.653 3.272 1.00 0.00 C ATOM 59 C ASP A 25 -14.180 -2.010 4.617 1.00 0.00 C ATOM 60 O ASP A 25 -13.496 -2.558 5.481 1.00 0.00 O ATOM 61 CB ASP A 25 -13.227 -2.488 2.370 1.00 0.00 C ATOM 62 CG ASP A 25 -12.285 -3.674 2.423 1.00 0.00 C ATOM 63 OD1 ASP A 25 -11.727 -3.941 3.508 1.00 0.00 O ATOM 64 OD2 ASP A 25 -12.105 -4.336 1.379 1.00 0.00 O ATOM 0 H ASP A 25 -15.334 -1.429 1.850 1.00 0.00 H new ATOM 0 HA ASP A 25 -14.635 -3.717 3.399 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -13.563 -2.343 1.343 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -12.685 -1.587 2.659 1.00 0.00 H new ATOM 69 N LEU A 26 -14.731 -0.806 4.752 1.00 0.00 N ATOM 70 CA LEU A 26 -14.586 -0.006 5.940 1.00 0.00 C ATOM 71 C LEU A 26 -13.125 0.381 6.128 1.00 0.00 C ATOM 72 O LEU A 26 -12.765 1.065 7.087 1.00 0.00 O ATOM 73 CB LEU A 26 -15.133 -0.733 7.173 1.00 0.00 C ATOM 74 CG LEU A 26 -16.265 -1.727 6.899 1.00 0.00 C ATOM 75 CD1 LEU A 26 -15.741 -3.157 6.898 1.00 0.00 C ATOM 76 CD2 LEU A 26 -17.376 -1.566 7.927 1.00 0.00 C ATOM 0 H LEU A 26 -15.294 -0.364 4.025 1.00 0.00 H new ATOM 0 HA LEU A 26 -15.174 0.904 5.819 1.00 0.00 H new ATOM 0 HB2 LEU A 26 -14.313 -1.266 7.654 1.00 0.00 H new ATOM 0 HB3 LEU A 26 -15.490 0.012 7.885 1.00 0.00 H new ATOM 0 HG LEU A 26 -16.674 -1.514 5.911 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -16.563 -3.846 6.701 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -14.983 -3.266 6.123 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -15.302 -3.384 7.869 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -18.172 -2.280 7.717 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -16.978 -1.749 8.925 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -17.775 -0.553 7.876 1.00 0.00 H new ATOM 88 N SER A 27 -12.289 -0.055 5.186 1.00 0.00 N ATOM 89 CA SER A 27 -10.874 0.244 5.217 1.00 0.00 C ATOM 90 C SER A 27 -10.326 0.515 3.816 1.00 0.00 C ATOM 91 O SER A 27 -9.115 0.647 3.645 1.00 0.00 O ATOM 92 CB SER A 27 -10.097 -0.894 5.859 1.00 0.00 C ATOM 93 OG SER A 27 -10.609 -1.204 7.144 1.00 0.00 O ATOM 0 H SER A 27 -12.580 -0.621 4.389 1.00 0.00 H new ATOM 0 HA SER A 27 -10.748 1.146 5.815 1.00 0.00 H new ATOM 0 HB2 SER A 27 -10.147 -1.777 5.222 1.00 0.00 H new ATOM 0 HB3 SER A 27 -9.045 -0.619 5.940 1.00 0.00 H new ATOM 0 HG SER A 27 -10.092 -1.940 7.533 1.00 0.00 H new ATOM 99 N GLU A 28 -11.204 0.616 2.810 1.00 0.00 N ATOM 100 CA GLU A 28 -10.757 0.892 1.449 1.00 0.00 C ATOM 101 C GLU A 28 -10.328 2.362 1.326 1.00 0.00 C ATOM 102 O GLU A 28 -10.626 3.042 0.345 1.00 0.00 O ATOM 103 CB GLU A 28 -11.869 0.585 0.439 1.00 0.00 C ATOM 104 CG GLU A 28 -11.872 -0.850 -0.067 1.00 0.00 C ATOM 105 CD GLU A 28 -13.154 -1.204 -0.796 1.00 0.00 C ATOM 106 OE1 GLU A 28 -14.241 -0.877 -0.276 1.00 0.00 O ATOM 107 OE2 GLU A 28 -13.070 -1.808 -1.886 1.00 0.00 O ATOM 0 H GLU A 28 -12.213 0.512 2.915 1.00 0.00 H new ATOM 0 HA GLU A 28 -9.905 0.249 1.229 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -12.833 0.798 0.901 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -11.768 1.258 -0.412 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -11.024 -0.998 -0.736 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -11.736 -1.529 0.775 1.00 0.00 H new ATOM 114 N ILE A 29 -9.614 2.809 2.345 1.00 0.00 N ATOM 115 CA ILE A 29 -9.072 4.154 2.474 1.00 0.00 C ATOM 116 C ILE A 29 -8.278 4.094 3.749 1.00 0.00 C ATOM 117 O ILE A 29 -8.441 4.863 4.697 1.00 0.00 O ATOM 118 CB ILE A 29 -10.154 5.251 2.551 1.00 0.00 C ATOM 119 CG1 ILE A 29 -11.344 4.774 3.386 1.00 0.00 C ATOM 120 CG2 ILE A 29 -10.606 5.649 1.154 1.00 0.00 C ATOM 121 CD1 ILE A 29 -11.905 5.838 4.304 1.00 0.00 C ATOM 0 H ILE A 29 -9.385 2.217 3.143 1.00 0.00 H new ATOM 0 HA ILE A 29 -8.482 4.427 1.599 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.724 6.127 3.037 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.133 4.431 2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -11.037 3.915 3.983 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.369 6.424 1.226 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -9.754 6.030 0.591 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -11.019 4.779 0.643 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -12.746 5.429 4.864 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -11.131 6.165 4.998 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.243 6.688 3.712 1.00 0.00 H new ATOM 133 N LYS A 30 -7.478 3.059 3.723 1.00 0.00 N ATOM 134 CA LYS A 30 -6.632 2.624 4.796 1.00 0.00 C ATOM 135 C LYS A 30 -5.818 1.475 4.236 1.00 0.00 C ATOM 136 O LYS A 30 -4.606 1.401 4.399 1.00 0.00 O ATOM 137 CB LYS A 30 -7.500 2.158 5.960 1.00 0.00 C ATOM 138 CG LYS A 30 -6.870 2.377 7.327 1.00 0.00 C ATOM 139 CD LYS A 30 -6.912 1.114 8.173 1.00 0.00 C ATOM 140 CE LYS A 30 -5.814 1.107 9.225 1.00 0.00 C ATOM 141 NZ LYS A 30 -6.353 0.845 10.588 1.00 0.00 N ATOM 0 H LYS A 30 -7.398 2.463 2.899 1.00 0.00 H new ATOM 0 HA LYS A 30 -5.983 3.418 5.166 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -8.454 2.684 5.922 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -7.716 1.097 5.837 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -5.836 2.699 7.204 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -7.394 3.180 7.845 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -7.884 1.034 8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -6.805 0.241 7.529 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -5.076 0.346 8.974 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -5.297 2.067 9.217 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -5.573 0.848 11.276 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -7.039 1.586 10.838 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -6.824 -0.082 10.603 1.00 0.00 H new ATOM 155 N LYS A 31 -6.542 0.629 3.498 1.00 0.00 N ATOM 156 CA LYS A 31 -5.997 -0.498 2.784 1.00 0.00 C ATOM 157 C LYS A 31 -5.272 0.052 1.570 1.00 0.00 C ATOM 158 O LYS A 31 -4.092 -0.212 1.348 1.00 0.00 O ATOM 159 CB LYS A 31 -7.141 -1.405 2.320 1.00 0.00 C ATOM 160 CG LYS A 31 -6.704 -2.815 1.963 1.00 0.00 C ATOM 161 CD LYS A 31 -6.097 -2.866 0.568 1.00 0.00 C ATOM 162 CE LYS A 31 -7.056 -2.328 -0.483 1.00 0.00 C ATOM 163 NZ LYS A 31 -8.431 -2.872 -0.310 1.00 0.00 N ATOM 0 H LYS A 31 -7.551 0.724 3.386 1.00 0.00 H new ATOM 0 HA LYS A 31 -5.322 -1.074 3.417 1.00 0.00 H new ATOM 0 HB2 LYS A 31 -7.893 -1.457 3.108 1.00 0.00 H new ATOM 0 HB3 LYS A 31 -7.620 -0.953 1.452 1.00 0.00 H new ATOM 0 HG2 LYS A 31 -5.976 -3.169 2.693 1.00 0.00 H new ATOM 0 HG3 LYS A 31 -7.560 -3.488 2.015 1.00 0.00 H new ATOM 0 HD2 LYS A 31 -5.175 -2.285 0.551 1.00 0.00 H new ATOM 0 HD3 LYS A 31 -5.830 -3.894 0.325 1.00 0.00 H new ATOM 0 HE2 LYS A 31 -7.086 -1.240 -0.424 1.00 0.00 H new ATOM 0 HE3 LYS A 31 -6.687 -2.583 -1.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 -8.943 -2.816 -1.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 -8.376 -3.864 -0.004 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 -8.936 -2.316 0.409 1.00 0.00 H new ATOM 177 N GLU A 32 -6.004 0.880 0.823 1.00 0.00 N ATOM 178 CA GLU A 32 -5.464 1.563 -0.348 1.00 0.00 C ATOM 179 C GLU A 32 -4.353 2.473 0.113 1.00 0.00 C ATOM 180 O GLU A 32 -3.405 2.747 -0.615 1.00 0.00 O ATOM 181 CB GLU A 32 -6.537 2.391 -1.057 1.00 0.00 C ATOM 182 CG GLU A 32 -7.941 1.915 -0.786 1.00 0.00 C ATOM 183 CD GLU A 32 -8.799 1.852 -2.035 1.00 0.00 C ATOM 184 OE1 GLU A 32 -8.641 0.891 -2.816 1.00 0.00 O ATOM 185 OE2 GLU A 32 -9.628 2.766 -2.232 1.00 0.00 O ATOM 0 H GLU A 32 -6.983 1.094 1.013 1.00 0.00 H new ATOM 0 HA GLU A 32 -5.096 0.820 -1.056 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -6.448 3.431 -0.744 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -6.354 2.365 -2.131 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -7.901 0.926 -0.329 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -8.411 2.581 -0.063 1.00 0.00 H new ATOM 192 N TYR A 33 -4.473 2.887 1.368 1.00 0.00 N ATOM 193 CA TYR A 33 -3.482 3.720 2.011 1.00 0.00 C ATOM 194 C TYR A 33 -2.385 2.812 2.486 1.00 0.00 C ATOM 195 O TYR A 33 -1.219 3.189 2.597 1.00 0.00 O ATOM 196 CB TYR A 33 -4.124 4.453 3.178 1.00 0.00 C ATOM 197 CG TYR A 33 -3.180 4.730 4.316 1.00 0.00 C ATOM 198 CD1 TYR A 33 -2.234 5.735 4.222 1.00 0.00 C ATOM 199 CD2 TYR A 33 -3.239 3.982 5.478 1.00 0.00 C ATOM 200 CE1 TYR A 33 -1.364 5.992 5.264 1.00 0.00 C ATOM 201 CE2 TYR A 33 -2.376 4.229 6.528 1.00 0.00 C ATOM 202 CZ TYR A 33 -1.439 5.237 6.417 1.00 0.00 C ATOM 203 OH TYR A 33 -0.576 5.488 7.459 1.00 0.00 O ATOM 0 H TYR A 33 -5.265 2.650 1.965 1.00 0.00 H new ATOM 0 HA TYR A 33 -3.079 4.467 1.328 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -4.534 5.398 2.820 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -4.962 3.862 3.549 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -2.175 6.327 3.321 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -3.971 3.193 5.566 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -0.630 6.779 5.177 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.434 3.638 7.430 1.00 0.00 H new ATOM 0 HH TYR A 33 -0.763 4.868 8.195 1.00 0.00 H new ATOM 213 N ASN A 34 -2.799 1.592 2.732 1.00 0.00 N ATOM 214 CA ASN A 34 -1.924 0.558 3.161 1.00 0.00 C ATOM 215 C ASN A 34 -1.209 -0.024 1.972 1.00 0.00 C ATOM 216 O ASN A 34 -0.256 -0.792 2.106 1.00 0.00 O ATOM 217 CB ASN A 34 -2.725 -0.523 3.855 1.00 0.00 C ATOM 218 CG ASN A 34 -1.967 -1.185 4.988 1.00 0.00 C ATOM 219 OD1 ASN A 34 -1.515 -2.323 4.866 1.00 0.00 O ATOM 220 ND2 ASN A 34 -1.825 -0.473 6.101 1.00 0.00 N ATOM 0 H ASN A 34 -3.771 1.298 2.634 1.00 0.00 H new ATOM 0 HA ASN A 34 -1.190 0.967 3.855 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -3.647 -0.091 4.245 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.012 -1.280 3.125 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -1.325 -0.867 6.898 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -2.216 0.467 6.158 1.00 0.00 H new ATOM 227 N VAL A 35 -1.689 0.348 0.803 1.00 0.00 N ATOM 228 CA VAL A 35 -1.117 -0.130 -0.419 1.00 0.00 C ATOM 229 C VAL A 35 -0.098 0.843 -0.950 1.00 0.00 C ATOM 230 O VAL A 35 0.814 0.466 -1.672 1.00 0.00 O ATOM 231 CB VAL A 35 -2.188 -0.385 -1.489 1.00 0.00 C ATOM 232 CG1 VAL A 35 -1.556 -0.885 -2.782 1.00 0.00 C ATOM 233 CG2 VAL A 35 -3.233 -1.368 -0.980 1.00 0.00 C ATOM 0 H VAL A 35 -2.478 0.983 0.683 1.00 0.00 H new ATOM 0 HA VAL A 35 -0.628 -1.077 -0.191 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.687 0.560 -1.703 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.335 -1.058 -3.524 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.856 -0.138 -3.158 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -1.024 -1.817 -2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -3.983 -1.535 -1.753 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.752 -2.314 -0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -3.714 -0.960 -0.091 1.00 0.00 H new ATOM 243 N LYS A 36 -0.254 2.092 -0.573 1.00 0.00 N ATOM 244 CA LYS A 36 0.657 3.115 -0.994 1.00 0.00 C ATOM 245 C LYS A 36 2.004 2.885 -0.345 1.00 0.00 C ATOM 246 O LYS A 36 3.053 3.207 -0.895 1.00 0.00 O ATOM 247 CB LYS A 36 0.158 4.508 -0.635 1.00 0.00 C ATOM 248 CG LYS A 36 -1.336 4.615 -0.368 1.00 0.00 C ATOM 249 CD LYS A 36 -2.088 5.077 -1.609 1.00 0.00 C ATOM 250 CE LYS A 36 -2.621 6.491 -1.444 1.00 0.00 C ATOM 251 NZ LYS A 36 -3.653 6.574 -0.375 1.00 0.00 N ATOM 0 H LYS A 36 -1.010 2.418 0.028 1.00 0.00 H new ATOM 0 HA LYS A 36 0.740 3.060 -2.079 1.00 0.00 H new ATOM 0 HB2 LYS A 36 0.694 4.851 0.250 1.00 0.00 H new ATOM 0 HB3 LYS A 36 0.415 5.188 -1.447 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -1.720 3.647 -0.047 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -1.512 5.315 0.449 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -1.425 5.036 -2.474 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -2.916 4.396 -1.809 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -1.797 7.164 -1.206 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -3.048 6.830 -2.388 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -4.278 7.385 -0.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -4.215 5.699 -0.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -3.188 6.696 0.547 1.00 0.00 H new ATOM 265 N GLU A 37 1.930 2.303 0.836 1.00 0.00 N ATOM 266 CA GLU A 37 3.103 1.971 1.640 1.00 0.00 C ATOM 267 C GLU A 37 3.796 0.752 1.052 1.00 0.00 C ATOM 268 O GLU A 37 4.997 0.548 1.224 1.00 0.00 O ATOM 269 CB GLU A 37 2.685 1.688 3.086 1.00 0.00 C ATOM 270 CG GLU A 37 2.583 2.931 3.962 1.00 0.00 C ATOM 271 CD GLU A 37 2.124 4.162 3.202 1.00 0.00 C ATOM 272 OE1 GLU A 37 1.084 4.083 2.515 1.00 0.00 O ATOM 273 OE2 GLU A 37 2.805 5.205 3.294 1.00 0.00 O ATOM 0 H GLU A 37 1.047 2.042 1.274 1.00 0.00 H new ATOM 0 HA GLU A 37 3.793 2.815 1.632 1.00 0.00 H new ATOM 0 HB2 GLU A 37 1.720 1.181 3.081 1.00 0.00 H new ATOM 0 HB3 GLU A 37 3.404 1.001 3.532 1.00 0.00 H new ATOM 0 HG2 GLU A 37 1.888 2.736 4.779 1.00 0.00 H new ATOM 0 HG3 GLU A 37 3.555 3.131 4.412 1.00 0.00 H new ATOM 280 N LYS A 38 3.010 -0.041 0.342 1.00 0.00 N ATOM 281 CA LYS A 38 3.474 -1.235 -0.312 1.00 0.00 C ATOM 282 C LYS A 38 3.784 -0.931 -1.741 1.00 0.00 C ATOM 283 O LYS A 38 4.689 -1.499 -2.332 1.00 0.00 O ATOM 284 CB LYS A 38 2.405 -2.304 -0.234 1.00 0.00 C ATOM 285 CG LYS A 38 2.740 -3.565 -1.008 1.00 0.00 C ATOM 286 CD LYS A 38 1.540 -4.493 -1.103 1.00 0.00 C ATOM 287 CE LYS A 38 1.761 -5.778 -0.321 1.00 0.00 C ATOM 288 NZ LYS A 38 0.490 -6.524 -0.107 1.00 0.00 N ATOM 0 H LYS A 38 2.015 0.138 0.207 1.00 0.00 H new ATOM 0 HA LYS A 38 4.376 -1.595 0.183 1.00 0.00 H new ATOM 0 HB2 LYS A 38 2.240 -2.564 0.812 1.00 0.00 H new ATOM 0 HB3 LYS A 38 1.468 -1.895 -0.612 1.00 0.00 H new ATOM 0 HG2 LYS A 38 3.077 -3.300 -2.010 1.00 0.00 H new ATOM 0 HG3 LYS A 38 3.566 -4.084 -0.521 1.00 0.00 H new ATOM 0 HD2 LYS A 38 0.655 -3.983 -0.723 1.00 0.00 H new ATOM 0 HD3 LYS A 38 1.346 -4.732 -2.149 1.00 0.00 H new ATOM 0 HE2 LYS A 38 2.468 -6.412 -0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 38 2.211 -5.543 0.644 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 0.684 -7.393 0.430 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -0.176 -5.929 0.426 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 0.073 -6.771 -1.027 1.00 0.00 H new ATOM 302 N ASP A 39 3.047 0.010 -2.271 1.00 0.00 N ATOM 303 CA ASP A 39 3.271 0.441 -3.636 1.00 0.00 C ATOM 304 C ASP A 39 4.445 1.401 -3.656 1.00 0.00 C ATOM 305 O ASP A 39 4.741 2.036 -4.669 1.00 0.00 O ATOM 306 CB ASP A 39 2.032 1.103 -4.213 1.00 0.00 C ATOM 307 CG ASP A 39 1.877 0.851 -5.700 1.00 0.00 C ATOM 308 OD1 ASP A 39 2.344 -0.205 -6.176 1.00 0.00 O ATOM 309 OD2 ASP A 39 1.288 1.711 -6.389 1.00 0.00 O ATOM 0 H ASP A 39 2.290 0.493 -1.787 1.00 0.00 H new ATOM 0 HA ASP A 39 3.492 -0.429 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 39 1.150 0.732 -3.691 1.00 0.00 H new ATOM 0 HB3 ASP A 39 2.081 2.177 -4.033 1.00 0.00 H new ATOM 314 N GLN A 40 5.100 1.503 -2.504 1.00 0.00 N ATOM 315 CA GLN A 40 6.231 2.378 -2.337 1.00 0.00 C ATOM 316 C GLN A 40 7.420 1.664 -1.691 1.00 0.00 C ATOM 317 O GLN A 40 8.570 2.043 -1.910 1.00 0.00 O ATOM 318 CB GLN A 40 5.806 3.594 -1.516 1.00 0.00 C ATOM 319 CG GLN A 40 5.765 3.364 -0.012 1.00 0.00 C ATOM 320 CD GLN A 40 6.284 4.552 0.774 1.00 0.00 C ATOM 321 OE1 GLN A 40 5.511 5.396 1.228 1.00 0.00 O ATOM 322 NE2 GLN A 40 7.599 4.624 0.939 1.00 0.00 N ATOM 0 H GLN A 40 4.853 0.977 -1.666 1.00 0.00 H new ATOM 0 HA GLN A 40 6.566 2.703 -3.322 1.00 0.00 H new ATOM 0 HB2 GLN A 40 6.492 4.415 -1.726 1.00 0.00 H new ATOM 0 HB3 GLN A 40 4.818 3.912 -1.848 1.00 0.00 H new ATOM 0 HG2 GLN A 40 4.740 3.152 0.292 1.00 0.00 H new ATOM 0 HG3 GLN A 40 6.359 2.483 0.233 1.00 0.00 H new ATOM 0 HE21 GLN A 40 8.203 3.902 0.545 1.00 0.00 H new ATOM 0 HE22 GLN A 40 8.006 5.401 1.459 1.00 0.00 H new ATOM 331 N VAL A 41 7.144 0.635 -0.891 1.00 0.00 N ATOM 332 CA VAL A 41 8.207 -0.109 -0.225 1.00 0.00 C ATOM 333 C VAL A 41 8.938 -1.005 -1.207 1.00 0.00 C ATOM 334 O VAL A 41 10.165 -0.992 -1.271 1.00 0.00 O ATOM 335 CB VAL A 41 7.671 -0.933 0.959 1.00 0.00 C ATOM 336 CG1 VAL A 41 8.589 -2.103 1.292 1.00 0.00 C ATOM 337 CG2 VAL A 41 7.475 -0.044 2.178 1.00 0.00 C ATOM 0 H VAL A 41 6.201 0.301 -0.691 1.00 0.00 H new ATOM 0 HA VAL A 41 8.913 0.621 0.172 1.00 0.00 H new ATOM 0 HB VAL A 41 6.706 -1.346 0.665 1.00 0.00 H new ATOM 0 HG11 VAL A 41 8.177 -2.661 2.133 1.00 0.00 H new ATOM 0 HG12 VAL A 41 8.670 -2.760 0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 41 9.577 -1.726 1.556 1.00 0.00 H new ATOM 0 HG21 VAL A 41 7.096 -0.642 3.007 1.00 0.00 H new ATOM 0 HG22 VAL A 41 8.428 0.403 2.460 1.00 0.00 H new ATOM 0 HG23 VAL A 41 6.760 0.745 1.942 1.00 0.00 H new ATOM 347 N GLU A 42 8.178 -1.774 -1.976 1.00 0.00 N ATOM 348 CA GLU A 42 8.767 -2.672 -2.981 1.00 0.00 C ATOM 349 C GLU A 42 9.937 -1.974 -3.673 1.00 0.00 C ATOM 350 O GLU A 42 10.938 -2.599 -4.023 1.00 0.00 O ATOM 351 CB GLU A 42 7.745 -3.129 -4.043 1.00 0.00 C ATOM 352 CG GLU A 42 6.345 -2.538 -3.915 1.00 0.00 C ATOM 353 CD GLU A 42 5.548 -2.657 -5.198 1.00 0.00 C ATOM 354 OE1 GLU A 42 6.134 -2.458 -6.283 1.00 0.00 O ATOM 355 OE2 GLU A 42 4.336 -2.951 -5.119 1.00 0.00 O ATOM 0 H GLU A 42 7.159 -1.800 -1.930 1.00 0.00 H new ATOM 0 HA GLU A 42 9.110 -3.562 -2.453 1.00 0.00 H new ATOM 0 HB2 GLU A 42 8.136 -2.877 -5.029 1.00 0.00 H new ATOM 0 HB3 GLU A 42 7.666 -4.215 -4.000 1.00 0.00 H new ATOM 0 HG2 GLU A 42 5.812 -3.045 -3.111 1.00 0.00 H new ATOM 0 HG3 GLU A 42 6.421 -1.488 -3.634 1.00 0.00 H new ATOM 362 N ASP A 43 9.796 -0.661 -3.840 1.00 0.00 N ATOM 363 CA ASP A 43 10.825 0.162 -4.459 1.00 0.00 C ATOM 364 C ASP A 43 12.112 0.074 -3.681 1.00 0.00 C ATOM 365 O ASP A 43 13.188 -0.135 -4.237 1.00 0.00 O ATOM 366 CB ASP A 43 10.370 1.617 -4.496 1.00 0.00 C ATOM 367 CG ASP A 43 10.015 2.085 -5.894 1.00 0.00 C ATOM 368 OD1 ASP A 43 9.649 1.232 -6.730 1.00 0.00 O ATOM 369 OD2 ASP A 43 10.104 3.303 -6.153 1.00 0.00 O ATOM 0 H ASP A 43 8.967 -0.142 -3.550 1.00 0.00 H new ATOM 0 HA ASP A 43 10.992 -0.203 -5.472 1.00 0.00 H new ATOM 0 HB2 ASP A 43 9.504 1.739 -3.846 1.00 0.00 H new ATOM 0 HB3 ASP A 43 11.161 2.251 -4.095 1.00 0.00 H new ATOM 374 N LEU A 44 11.993 0.250 -2.389 1.00 0.00 N ATOM 375 CA LEU A 44 13.140 0.213 -1.522 1.00 0.00 C ATOM 376 C LEU A 44 13.741 -1.181 -1.414 1.00 0.00 C ATOM 377 O LEU A 44 14.519 -1.476 -0.508 1.00 0.00 O ATOM 378 CB LEU A 44 12.805 0.795 -0.159 1.00 0.00 C ATOM 379 CG LEU A 44 12.872 2.317 -0.138 1.00 0.00 C ATOM 380 CD1 LEU A 44 11.513 2.914 0.199 1.00 0.00 C ATOM 381 CD2 LEU A 44 13.931 2.799 0.842 1.00 0.00 C ATOM 0 H LEU A 44 11.107 0.421 -1.914 1.00 0.00 H new ATOM 0 HA LEU A 44 13.910 0.839 -1.973 1.00 0.00 H new ATOM 0 HB2 LEU A 44 11.805 0.475 0.132 1.00 0.00 H new ATOM 0 HB3 LEU A 44 13.496 0.395 0.583 1.00 0.00 H new ATOM 0 HG LEU A 44 13.154 2.656 -1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 44 11.586 4.002 0.208 1.00 0.00 H new ATOM 0 HD12 LEU A 44 10.784 2.605 -0.550 1.00 0.00 H new ATOM 0 HD13 LEU A 44 11.195 2.563 1.181 1.00 0.00 H new ATOM 0 HD21 LEU A 44 13.960 3.889 0.839 1.00 0.00 H new ATOM 0 HD22 LEU A 44 13.688 2.445 1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 44 14.905 2.409 0.546 1.00 0.00 H new ATOM 393 N ASN A 45 13.402 -2.008 -2.382 1.00 0.00 N ATOM 394 CA ASN A 45 13.916 -3.360 -2.475 1.00 0.00 C ATOM 395 C ASN A 45 14.318 -3.633 -3.922 1.00 0.00 C ATOM 396 O ASN A 45 15.293 -4.332 -4.194 1.00 0.00 O ATOM 397 CB ASN A 45 12.869 -4.368 -2.000 1.00 0.00 C ATOM 398 CG ASN A 45 13.298 -5.100 -0.743 1.00 0.00 C ATOM 399 OD1 ASN A 45 13.064 -4.633 0.371 1.00 0.00 O ATOM 400 ND2 ASN A 45 13.931 -6.254 -0.918 1.00 0.00 N ATOM 0 H ASN A 45 12.757 -1.759 -3.132 1.00 0.00 H new ATOM 0 HA ASN A 45 14.789 -3.466 -1.831 1.00 0.00 H new ATOM 0 HB2 ASN A 45 11.929 -3.850 -1.812 1.00 0.00 H new ATOM 0 HB3 ASN A 45 12.681 -5.092 -2.792 1.00 0.00 H new ATOM 0 HD21 ASN A 45 14.245 -6.791 -0.110 1.00 0.00 H new ATOM 0 HD22 ASN A 45 14.104 -6.603 -1.861 1.00 0.00 H new ATOM 407 N LEU A 46 13.566 -3.032 -4.841 1.00 0.00 N ATOM 408 CA LEU A 46 13.826 -3.145 -6.266 1.00 0.00 C ATOM 409 C LEU A 46 13.903 -1.747 -6.856 1.00 0.00 C ATOM 410 O LEU A 46 13.327 -1.454 -7.903 1.00 0.00 O ATOM 411 CB LEU A 46 12.728 -3.952 -6.951 1.00 0.00 C ATOM 412 CG LEU A 46 12.984 -5.457 -7.037 1.00 0.00 C ATOM 413 CD1 LEU A 46 12.440 -6.163 -5.805 1.00 0.00 C ATOM 414 CD2 LEU A 46 12.362 -6.032 -8.301 1.00 0.00 C ATOM 0 H LEU A 46 12.758 -2.452 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 46 14.770 -3.667 -6.425 1.00 0.00 H new ATOM 0 HB2 LEU A 46 11.792 -3.789 -6.417 1.00 0.00 H new ATOM 0 HB3 LEU A 46 12.590 -3.565 -7.961 1.00 0.00 H new ATOM 0 HG LEU A 46 14.061 -5.621 -7.078 1.00 0.00 H new ATOM 0 HD11 LEU A 46 12.632 -7.233 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 46 12.932 -5.772 -4.914 1.00 0.00 H new ATOM 0 HD13 LEU A 46 11.366 -5.991 -5.732 1.00 0.00 H new ATOM 0 HD21 LEU A 46 12.554 -7.104 -8.346 1.00 0.00 H new ATOM 0 HD22 LEU A 46 11.286 -5.856 -8.290 1.00 0.00 H new ATOM 0 HD23 LEU A 46 12.799 -5.548 -9.174 1.00 0.00 H new ATOM 426 N ASP A 47 14.621 -0.896 -6.142 1.00 0.00 N ATOM 427 CA ASP A 47 14.813 0.494 -6.517 1.00 0.00 C ATOM 428 C ASP A 47 15.681 1.225 -5.493 1.00 0.00 C ATOM 429 O ASP A 47 16.339 2.208 -5.816 1.00 0.00 O ATOM 430 CB ASP A 47 13.473 1.215 -6.637 1.00 0.00 C ATOM 431 CG ASP A 47 12.927 1.219 -8.050 1.00 0.00 C ATOM 432 OD1 ASP A 47 13.507 1.914 -8.909 1.00 0.00 O ATOM 433 OD2 ASP A 47 11.915 0.530 -8.298 1.00 0.00 O ATOM 0 H ASP A 47 15.092 -1.155 -5.275 1.00 0.00 H new ATOM 0 HA ASP A 47 15.316 0.501 -7.484 1.00 0.00 H new ATOM 0 HB2 ASP A 47 12.750 0.738 -5.975 1.00 0.00 H new ATOM 0 HB3 ASP A 47 13.588 2.244 -6.295 1.00 0.00 H new ATOM 438 N SER A 48 15.680 0.757 -4.254 1.00 0.00 N ATOM 439 CA SER A 48 16.491 1.394 -3.228 1.00 0.00 C ATOM 440 C SER A 48 17.916 0.871 -3.305 1.00 0.00 C ATOM 441 O SER A 48 18.864 1.566 -2.946 1.00 0.00 O ATOM 442 CB SER A 48 15.946 1.136 -1.826 1.00 0.00 C ATOM 443 OG SER A 48 16.936 1.376 -0.840 1.00 0.00 O ATOM 0 H SER A 48 15.137 -0.047 -3.938 1.00 0.00 H new ATOM 0 HA SER A 48 16.465 2.468 -3.412 1.00 0.00 H new ATOM 0 HB2 SER A 48 15.084 1.778 -1.644 1.00 0.00 H new ATOM 0 HB3 SER A 48 15.597 0.106 -1.752 1.00 0.00 H new ATOM 0 HG SER A 48 16.617 1.055 0.029 1.00 0.00 H new ATOM 449 N LEU A 49 18.058 -0.369 -3.769 1.00 0.00 N ATOM 450 CA LEU A 49 19.375 -0.982 -3.885 1.00 0.00 C ATOM 451 C LEU A 49 19.844 -1.003 -5.332 1.00 0.00 C ATOM 452 O LEU A 49 20.801 -1.691 -5.687 1.00 0.00 O ATOM 453 CB LEU A 49 19.364 -2.395 -3.301 1.00 0.00 C ATOM 454 CG LEU A 49 18.719 -3.457 -4.194 1.00 0.00 C ATOM 455 CD1 LEU A 49 19.780 -4.203 -4.988 1.00 0.00 C ATOM 456 CD2 LEU A 49 17.893 -4.427 -3.362 1.00 0.00 C ATOM 0 H LEU A 49 17.284 -0.962 -4.068 1.00 0.00 H new ATOM 0 HA LEU A 49 20.079 -0.378 -3.313 1.00 0.00 H new ATOM 0 HB2 LEU A 49 20.391 -2.693 -3.091 1.00 0.00 H new ATOM 0 HB3 LEU A 49 18.836 -2.374 -2.347 1.00 0.00 H new ATOM 0 HG LEU A 49 18.053 -2.956 -4.897 1.00 0.00 H new ATOM 0 HD11 LEU A 49 19.303 -4.954 -5.617 1.00 0.00 H new ATOM 0 HD12 LEU A 49 20.327 -3.499 -5.615 1.00 0.00 H new ATOM 0 HD13 LEU A 49 20.472 -4.691 -4.302 1.00 0.00 H new ATOM 0 HD21 LEU A 49 17.443 -5.174 -4.015 1.00 0.00 H new ATOM 0 HD22 LEU A 49 18.536 -4.921 -2.634 1.00 0.00 H new ATOM 0 HD23 LEU A 49 17.107 -3.881 -2.840 1.00 0.00 H new ATOM 468 N TRP A 50 19.175 -0.212 -6.142 1.00 0.00 N ATOM 469 CA TRP A 50 19.503 -0.072 -7.552 1.00 0.00 C ATOM 470 C TRP A 50 19.972 1.362 -7.804 1.00 0.00 C ATOM 471 O TRP A 50 20.400 1.727 -8.899 1.00 0.00 O ATOM 472 CB TRP A 50 18.266 -0.413 -8.403 1.00 0.00 C ATOM 473 CG TRP A 50 17.446 0.779 -8.755 1.00 0.00 C ATOM 474 CD1 TRP A 50 17.325 1.882 -7.999 1.00 0.00 C ATOM 475 CD2 TRP A 50 16.642 0.987 -9.918 1.00 0.00 C ATOM 476 NE1 TRP A 50 16.506 2.799 -8.613 1.00 0.00 N ATOM 477 CE2 TRP A 50 16.070 2.268 -9.800 1.00 0.00 C ATOM 478 CE3 TRP A 50 16.355 0.222 -11.046 1.00 0.00 C ATOM 479 CZ2 TRP A 50 15.228 2.799 -10.774 1.00 0.00 C ATOM 480 CZ3 TRP A 50 15.517 0.747 -12.013 1.00 0.00 C ATOM 481 CH2 TRP A 50 14.964 2.027 -11.872 1.00 0.00 C ATOM 0 H TRP A 50 18.383 0.357 -5.843 1.00 0.00 H new ATOM 0 HA TRP A 50 20.303 -0.758 -7.831 1.00 0.00 H new ATOM 0 HB2 TRP A 50 18.589 -0.907 -9.320 1.00 0.00 H new ATOM 0 HB3 TRP A 50 17.645 -1.125 -7.860 1.00 0.00 H new ATOM 0 HD1 TRP A 50 17.804 2.028 -7.042 1.00 0.00 H new ATOM 0 HE1 TRP A 50 16.263 3.720 -8.247 1.00 0.00 H new ATOM 0 HE3 TRP A 50 16.779 -0.764 -11.164 1.00 0.00 H new ATOM 0 HZ2 TRP A 50 14.799 3.784 -10.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 50 15.285 0.161 -12.890 1.00 0.00 H new ATOM 0 HH2 TRP A 50 14.316 2.412 -12.646 1.00 0.00 H new ATOM 492 N GLU A 51 19.831 2.163 -6.752 1.00 0.00 N ATOM 493 CA GLU A 51 20.161 3.570 -6.750 1.00 0.00 C ATOM 494 C GLU A 51 21.665 3.792 -6.602 1.00 0.00 C ATOM 495 O GLU A 51 22.281 3.115 -5.753 1.00 0.00 O ATOM 496 CB GLU A 51 19.398 4.202 -5.585 1.00 0.00 C ATOM 497 CG GLU A 51 19.864 3.694 -4.235 1.00 0.00 C ATOM 498 CD GLU A 51 21.024 4.494 -3.673 1.00 0.00 C ATOM 499 OE1 GLU A 51 21.522 5.396 -4.379 1.00 0.00 O ATOM 500 OE2 GLU A 51 21.433 4.220 -2.525 1.00 0.00 O ATOM 501 OXT GLU A 51 22.212 4.641 -7.338 1.00 0.00 O ATOM 0 H GLU A 51 19.473 1.834 -5.855 1.00 0.00 H new ATOM 0 HA GLU A 51 19.877 4.028 -7.697 1.00 0.00 H new ATOM 0 HB2 GLU A 51 19.518 5.285 -5.622 1.00 0.00 H new ATOM 0 HB3 GLU A 51 18.334 3.995 -5.699 1.00 0.00 H new ATOM 0 HG2 GLU A 51 19.031 3.728 -3.532 1.00 0.00 H new ATOM 0 HG3 GLU A 51 20.161 2.649 -4.328 1.00 0.00 H new TER 508 GLU A 51