USER MOD reduce.3.24.130724 H: found=0, std=0, add=363, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 344 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 Set 1.1: A 6 CYS SG : rot 156:sc= 0.23 USER MOD Set 1.2: A 9 CYS SG : rot -81:sc= 1.38 USER MOD Set 1.3: A 39 CYS SG : rot 88:sc= 0.499! USER MOD Set 1.4: A 42 CYS SG : rot -41:sc= -2.01! USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 TYR OH : rot 165:sc= -1.36 USER MOD Single : A 7 THR OG1 : rot 180:sc= -1.26 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -3.37! USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 THR OG1 : rot 122:sc= 1.04 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= -0.157 USER MOD Single : A 46 LYS NZ :NH3+ -132:sc= -0.703 (180deg=-2.9!) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= -3.92! C(o=-3.9!,f=-7.3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -2.801 10.987 -5.321 1.00 0.00 N ATOM 2 CA MET A 1 -3.566 11.518 -4.206 1.00 0.00 C ATOM 3 C MET A 1 -4.541 10.471 -3.663 1.00 0.00 C ATOM 4 O MET A 1 -5.711 10.450 -4.043 1.00 0.00 O ATOM 5 CB MET A 1 -4.345 12.752 -4.664 1.00 0.00 C ATOM 6 CG MET A 1 -4.204 13.895 -3.655 1.00 0.00 C ATOM 7 SD MET A 1 -5.343 15.209 -4.058 1.00 0.00 S ATOM 8 CE MET A 1 -4.799 16.455 -2.903 1.00 0.00 C ATOM 0 H1 MET A 1 -2.147 11.716 -5.672 1.00 0.00 H new ATOM 0 H2 MET A 1 -2.258 10.158 -5.006 1.00 0.00 H new ATOM 0 H3 MET A 1 -3.449 10.707 -6.085 1.00 0.00 H new ATOM 0 HA MET A 1 -2.873 11.790 -3.410 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.980 13.076 -5.639 1.00 0.00 H new ATOM 0 HB3 MET A 1 -5.398 12.497 -4.786 1.00 0.00 H new ATOM 0 HG2 MET A 1 -4.401 13.528 -2.648 1.00 0.00 H new ATOM 0 HG3 MET A 1 -3.182 14.274 -3.662 1.00 0.00 H new ATOM 0 HE1 MET A 1 -5.409 17.351 -3.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.901 16.077 -1.886 1.00 0.00 H new ATOM 0 HE3 MET A 1 -3.755 16.699 -3.097 1.00 0.00 H new ATOM 20 N ASP A 2 -4.023 9.628 -2.782 1.00 0.00 N ATOM 21 CA ASP A 2 -4.834 8.581 -2.182 1.00 0.00 C ATOM 22 C ASP A 2 -3.933 7.646 -1.372 1.00 0.00 C ATOM 23 O ASP A 2 -3.135 6.902 -1.940 1.00 0.00 O ATOM 24 CB ASP A 2 -5.538 7.748 -3.254 1.00 0.00 C ATOM 25 CG ASP A 2 -7.048 7.592 -3.063 1.00 0.00 C ATOM 26 OD1 ASP A 2 -7.410 7.170 -1.899 1.00 0.00 O ATOM 27 OD2 ASP A 2 -7.839 7.860 -3.980 1.00 0.00 O ATOM 0 H ASP A 2 -3.052 9.648 -2.469 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.581 9.055 -1.546 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -5.355 8.205 -4.226 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -5.086 6.757 -3.278 1.00 0.00 H new ATOM 32 N ILE A 3 -4.091 7.715 -0.058 1.00 0.00 N ATOM 33 CA ILE A 3 -3.302 6.884 0.835 1.00 0.00 C ATOM 34 C ILE A 3 -4.181 5.761 1.389 1.00 0.00 C ATOM 35 O ILE A 3 -5.390 5.903 1.562 1.00 0.00 O ATOM 36 CB ILE A 3 -2.641 7.739 1.918 1.00 0.00 C ATOM 37 CG1 ILE A 3 -1.667 8.746 1.303 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.967 6.861 2.974 1.00 0.00 C ATOM 39 CD1 ILE A 3 -2.284 10.146 1.254 1.00 0.00 C ATOM 0 H ILE A 3 -4.754 8.334 0.409 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.484 6.411 0.292 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.419 8.311 2.424 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.747 8.770 1.887 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.397 8.428 0.296 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.505 7.493 3.732 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.712 6.219 3.443 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.203 6.245 2.501 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -1.571 10.843 0.813 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -3.191 10.123 0.650 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -2.530 10.471 2.265 1.00 0.00 H new ATOM 51 N TYR A 4 -3.537 4.626 1.668 1.00 0.00 N ATOM 52 CA TYR A 4 -4.228 3.467 2.197 1.00 0.00 C ATOM 53 C TYR A 4 -3.744 3.180 3.612 1.00 0.00 C ATOM 54 O TYR A 4 -2.534 3.140 3.829 1.00 0.00 O ATOM 55 CB TYR A 4 -3.980 2.268 1.287 1.00 0.00 C ATOM 56 CG TYR A 4 -4.854 2.255 0.056 1.00 0.00 C ATOM 57 CD1 TYR A 4 -4.582 3.125 -1.006 1.00 0.00 C ATOM 58 CD2 TYR A 4 -5.938 1.372 -0.023 1.00 0.00 C ATOM 59 CE1 TYR A 4 -5.392 3.113 -2.147 1.00 0.00 C ATOM 60 CE2 TYR A 4 -6.748 1.359 -1.165 1.00 0.00 C ATOM 61 CZ TYR A 4 -6.476 2.229 -2.227 1.00 0.00 C ATOM 62 OH TYR A 4 -7.265 2.217 -3.339 1.00 0.00 O ATOM 0 H TYR A 4 -2.535 4.493 1.533 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.300 3.663 2.233 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.934 2.265 0.980 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.149 1.352 1.853 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.746 3.806 -0.945 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.149 0.701 0.797 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -5.182 3.785 -2.966 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.583 0.677 -1.226 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.811 1.403 -3.344 1.00 0.00 H new ATOM 72 N VAL A 5 -4.679 2.989 4.531 1.00 0.00 N ATOM 73 CA VAL A 5 -4.324 2.708 5.912 1.00 0.00 C ATOM 74 C VAL A 5 -4.833 1.316 6.292 1.00 0.00 C ATOM 75 O VAL A 5 -5.977 0.970 6.003 1.00 0.00 O ATOM 76 CB VAL A 5 -4.861 3.811 6.825 1.00 0.00 C ATOM 77 CG1 VAL A 5 -4.392 3.606 8.267 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.461 5.194 6.309 1.00 0.00 C ATOM 0 H VAL A 5 -5.682 3.023 4.347 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.241 2.702 6.034 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.949 3.753 6.816 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.788 4.404 8.895 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.751 2.644 8.633 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.303 3.624 8.301 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.856 5.960 6.977 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -3.374 5.269 6.274 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.868 5.341 5.308 1.00 0.00 H new ATOM 88 N CYS A 6 -3.958 0.556 6.934 1.00 0.00 N ATOM 89 CA CYS A 6 -4.305 -0.791 7.356 1.00 0.00 C ATOM 90 C CYS A 6 -5.330 -0.690 8.487 1.00 0.00 C ATOM 91 O CYS A 6 -5.309 0.261 9.267 1.00 0.00 O ATOM 92 CB CYS A 6 -3.068 -1.588 7.776 1.00 0.00 C ATOM 93 SG CYS A 6 -3.387 -3.345 8.174 1.00 0.00 S ATOM 0 H CYS A 6 -3.010 0.847 7.172 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.741 -1.337 6.519 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.332 -1.540 6.973 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.622 -1.108 8.647 1.00 0.00 H new ATOM 0 HG CYS A 6 -2.296 -4.032 8.009 1.00 0.00 H new ATOM 98 N THR A 7 -6.204 -1.685 8.540 1.00 0.00 N ATOM 99 CA THR A 7 -7.236 -1.720 9.563 1.00 0.00 C ATOM 100 C THR A 7 -6.894 -2.763 10.629 1.00 0.00 C ATOM 101 O THR A 7 -7.773 -3.226 11.354 1.00 0.00 O ATOM 102 CB THR A 7 -8.577 -1.974 8.873 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.305 -3.038 7.964 1.00 0.00 O ATOM 104 CG2 THR A 7 -9.001 -0.813 7.971 1.00 0.00 C ATOM 0 H THR A 7 -6.219 -2.472 7.892 1.00 0.00 H new ATOM 0 HA THR A 7 -7.301 -0.769 10.092 1.00 0.00 H new ATOM 0 HB THR A 7 -9.345 -2.147 9.627 1.00 0.00 H new ATOM 0 HG1 THR A 7 -9.123 -3.268 7.475 1.00 0.00 H new ATOM 0 HG21 THR A 7 -9.959 -1.045 7.506 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.097 0.094 8.567 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.249 -0.660 7.197 1.00 0.00 H new ATOM 112 N VAL A 8 -5.615 -3.103 10.690 1.00 0.00 N ATOM 113 CA VAL A 8 -5.146 -4.083 11.656 1.00 0.00 C ATOM 114 C VAL A 8 -4.180 -3.409 12.632 1.00 0.00 C ATOM 115 O VAL A 8 -4.291 -3.586 13.843 1.00 0.00 O ATOM 116 CB VAL A 8 -4.526 -5.278 10.929 1.00 0.00 C ATOM 117 CG1 VAL A 8 -3.978 -6.301 11.926 1.00 0.00 C ATOM 118 CG2 VAL A 8 -5.535 -5.925 9.978 1.00 0.00 C ATOM 0 H VAL A 8 -4.889 -2.718 10.086 1.00 0.00 H new ATOM 0 HA VAL A 8 -5.979 -4.472 12.241 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.691 -4.911 10.332 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -3.543 -7.140 11.384 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.212 -5.832 12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -4.788 -6.660 12.561 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.069 -6.772 9.474 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.399 -6.271 10.545 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.857 -5.194 9.237 1.00 0.00 H new ATOM 128 N CYS A 9 -3.252 -2.649 12.066 1.00 0.00 N ATOM 129 CA CYS A 9 -2.267 -1.948 12.872 1.00 0.00 C ATOM 130 C CYS A 9 -2.407 -0.448 12.604 1.00 0.00 C ATOM 131 O CYS A 9 -2.819 0.307 13.483 1.00 0.00 O ATOM 132 CB CYS A 9 -0.848 -2.448 12.591 1.00 0.00 C ATOM 133 SG CYS A 9 -0.567 -3.042 10.883 1.00 0.00 S ATOM 0 H CYS A 9 -3.162 -2.504 11.060 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.449 -2.146 13.928 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.146 -1.641 12.800 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -0.619 -3.257 13.284 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.009 -4.259 10.769 1.00 0.00 H new ATOM 138 N GLY A 10 -2.056 -0.062 11.386 1.00 0.00 N ATOM 139 CA GLY A 10 -2.138 1.334 10.991 1.00 0.00 C ATOM 140 C GLY A 10 -1.384 1.579 9.683 1.00 0.00 C ATOM 141 O GLY A 10 -1.917 2.111 8.711 1.00 0.00 O ATOM 0 H GLY A 10 -1.714 -0.692 10.660 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.183 1.621 10.872 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -1.722 1.963 11.778 1.00 0.00 H new ATOM 145 N TYR A 11 -0.112 1.173 9.680 1.00 0.00 N ATOM 146 CA TYR A 11 0.738 1.334 8.517 1.00 0.00 C ATOM 147 C TYR A 11 0.369 2.615 7.782 1.00 0.00 C ATOM 148 O TYR A 11 -0.049 3.573 8.430 1.00 0.00 O ATOM 149 CB TYR A 11 0.583 0.122 7.603 1.00 0.00 C ATOM 150 CG TYR A 11 1.794 -0.141 6.741 1.00 0.00 C ATOM 151 CD1 TYR A 11 3.076 -0.096 7.302 1.00 0.00 C ATOM 152 CD2 TYR A 11 1.636 -0.430 5.380 1.00 0.00 C ATOM 153 CE1 TYR A 11 4.199 -0.341 6.503 1.00 0.00 C ATOM 154 CE2 TYR A 11 2.759 -0.674 4.581 1.00 0.00 C ATOM 155 CZ TYR A 11 4.041 -0.630 5.142 1.00 0.00 C ATOM 156 OH TYR A 11 5.135 -0.868 4.364 1.00 0.00 O ATOM 0 H TYR A 11 0.345 0.730 10.477 1.00 0.00 H new ATOM 0 HA TYR A 11 1.780 1.405 8.830 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.382 -0.759 8.212 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.285 0.270 6.961 1.00 0.00 H new ATOM 0 HD1 TYR A 11 3.199 0.128 8.351 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.647 -0.465 4.947 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.188 -0.307 6.936 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.637 -0.896 3.531 1.00 0.00 H new ATOM 0 HH TYR A 11 4.849 -1.053 3.445 1.00 0.00 H new ATOM 166 N GLU A 12 0.526 2.610 6.467 1.00 0.00 N ATOM 167 CA GLU A 12 0.203 3.781 5.670 1.00 0.00 C ATOM 168 C GLU A 12 0.919 3.718 4.319 1.00 0.00 C ATOM 169 O GLU A 12 1.991 4.285 4.121 1.00 0.00 O ATOM 170 CB GLU A 12 0.557 5.068 6.418 1.00 0.00 C ATOM 171 CG GLU A 12 1.877 4.916 7.176 1.00 0.00 C ATOM 172 CD GLU A 12 2.842 6.051 6.829 1.00 0.00 C ATOM 173 OE1 GLU A 12 3.386 6.084 5.715 1.00 0.00 O ATOM 174 OE2 GLU A 12 3.018 6.922 7.765 1.00 0.00 O ATOM 0 H GLU A 12 0.873 1.813 5.933 1.00 0.00 H new ATOM 0 HA GLU A 12 -0.872 3.788 5.490 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.632 5.895 5.711 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.241 5.318 7.117 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.686 4.912 8.249 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.334 3.957 6.930 1.00 0.00 H new ATOM 181 N TYR A 13 0.292 3.005 3.381 1.00 0.00 N ATOM 182 CA TYR A 13 0.840 2.846 2.049 1.00 0.00 C ATOM 183 C TYR A 13 0.761 4.168 1.298 1.00 0.00 C ATOM 184 O TYR A 13 -0.343 4.670 1.094 1.00 0.00 O ATOM 185 CB TYR A 13 0.069 1.757 1.309 1.00 0.00 C ATOM 186 CG TYR A 13 0.641 1.430 -0.049 1.00 0.00 C ATOM 187 CD1 TYR A 13 1.894 0.815 -0.151 1.00 0.00 C ATOM 188 CD2 TYR A 13 -0.082 1.742 -1.207 1.00 0.00 C ATOM 189 CE1 TYR A 13 2.425 0.512 -1.411 1.00 0.00 C ATOM 190 CE2 TYR A 13 0.448 1.439 -2.466 1.00 0.00 C ATOM 191 CZ TYR A 13 1.701 0.823 -2.569 1.00 0.00 C ATOM 192 OH TYR A 13 2.218 0.527 -3.796 1.00 0.00 O ATOM 0 H TYR A 13 -0.599 2.530 3.529 1.00 0.00 H new ATOM 0 HA TYR A 13 1.887 2.550 2.115 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.059 0.853 1.917 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.967 2.073 1.191 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.452 0.574 0.742 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -1.049 2.217 -1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.393 0.039 -1.490 1.00 0.00 H new ATOM 0 HE2 TYR A 13 -0.110 1.680 -3.359 1.00 0.00 H new ATOM 0 HH TYR A 13 1.588 0.807 -4.493 1.00 0.00 H new ATOM 202 N ASP A 14 1.911 4.698 0.907 1.00 0.00 N ATOM 203 CA ASP A 14 1.946 5.957 0.183 1.00 0.00 C ATOM 204 C ASP A 14 2.397 5.699 -1.257 1.00 0.00 C ATOM 205 O ASP A 14 3.574 5.501 -1.546 1.00 0.00 O ATOM 206 CB ASP A 14 2.938 6.931 0.821 1.00 0.00 C ATOM 207 CG ASP A 14 2.934 6.949 2.351 1.00 0.00 C ATOM 208 OD1 ASP A 14 1.885 7.141 2.984 1.00 0.00 O ATOM 209 OD2 ASP A 14 4.083 6.752 2.902 1.00 0.00 O ATOM 0 H ASP A 14 2.825 4.278 1.078 1.00 0.00 H new ATOM 0 HA ASP A 14 0.946 6.390 0.210 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.942 6.680 0.478 1.00 0.00 H new ATOM 0 HB3 ASP A 14 2.720 7.936 0.460 1.00 0.00 H new ATOM 214 N PRO A 15 1.418 5.708 -2.164 1.00 0.00 N ATOM 215 CA PRO A 15 1.616 5.490 -3.581 1.00 0.00 C ATOM 216 C PRO A 15 2.642 6.481 -4.111 1.00 0.00 C ATOM 217 O PRO A 15 3.174 6.261 -5.198 1.00 0.00 O ATOM 218 CB PRO A 15 0.246 5.730 -4.210 1.00 0.00 C ATOM 219 CG PRO A 15 -0.737 5.452 -3.091 1.00 0.00 C ATOM 220 CD PRO A 15 0.022 5.938 -1.858 1.00 0.00 C ATOM 0 HA PRO A 15 1.991 4.492 -3.809 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.151 6.752 -4.577 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.078 5.069 -5.060 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.674 5.992 -3.230 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -0.986 4.393 -3.023 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.171 6.993 -1.666 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.282 5.391 -0.966 1.00 0.00 H new ATOM 228 N ALA A 16 2.896 7.536 -3.352 1.00 0.00 N ATOM 229 CA ALA A 16 3.857 8.544 -3.767 1.00 0.00 C ATOM 230 C ALA A 16 5.274 8.003 -3.568 1.00 0.00 C ATOM 231 O ALA A 16 6.142 8.200 -4.418 1.00 0.00 O ATOM 232 CB ALA A 16 3.612 9.837 -2.986 1.00 0.00 C ATOM 0 H ALA A 16 2.453 7.715 -2.451 1.00 0.00 H new ATOM 0 HA ALA A 16 3.737 8.775 -4.825 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.333 10.593 -3.298 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.602 10.196 -3.184 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.726 9.645 -1.919 1.00 0.00 H new ATOM 238 N LYS A 17 5.465 7.332 -2.442 1.00 0.00 N ATOM 239 CA LYS A 17 6.762 6.761 -2.122 1.00 0.00 C ATOM 240 C LYS A 17 6.812 5.312 -2.612 1.00 0.00 C ATOM 241 O LYS A 17 7.793 4.895 -3.226 1.00 0.00 O ATOM 242 CB LYS A 17 7.061 6.915 -0.629 1.00 0.00 C ATOM 243 CG LYS A 17 8.145 7.969 -0.393 1.00 0.00 C ATOM 244 CD LYS A 17 8.007 8.596 0.995 1.00 0.00 C ATOM 245 CE LYS A 17 7.380 9.989 0.907 1.00 0.00 C ATOM 246 NZ LYS A 17 8.406 11.034 1.119 1.00 0.00 N ATOM 0 H LYS A 17 4.743 7.171 -1.740 1.00 0.00 H new ATOM 0 HA LYS A 17 7.554 7.301 -2.641 1.00 0.00 H new ATOM 0 HB2 LYS A 17 6.151 7.199 -0.100 1.00 0.00 H new ATOM 0 HB3 LYS A 17 7.383 5.958 -0.218 1.00 0.00 H new ATOM 0 HG2 LYS A 17 9.129 7.512 -0.493 1.00 0.00 H new ATOM 0 HG3 LYS A 17 8.075 8.745 -1.155 1.00 0.00 H new ATOM 0 HD2 LYS A 17 7.392 7.956 1.628 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.987 8.664 1.467 1.00 0.00 H new ATOM 0 HE2 LYS A 17 6.913 10.123 -0.069 1.00 0.00 H new ATOM 0 HE3 LYS A 17 6.592 10.088 1.654 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 7.963 11.973 1.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 8.833 10.915 2.060 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.143 10.949 0.391 1.00 0.00 H new ATOM 257 N GLY A 18 5.742 4.586 -2.324 1.00 0.00 N ATOM 258 CA GLY A 18 5.652 3.193 -2.728 1.00 0.00 C ATOM 259 C GLY A 18 6.389 2.287 -1.740 1.00 0.00 C ATOM 260 O GLY A 18 6.325 2.500 -0.530 1.00 0.00 O ATOM 0 H GLY A 18 4.930 4.936 -1.816 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.605 2.895 -2.789 1.00 0.00 H new ATOM 0 HA3 GLY A 18 6.076 3.072 -3.725 1.00 0.00 H new ATOM 264 N ASP A 19 7.071 1.294 -2.291 1.00 0.00 N ATOM 265 CA ASP A 19 7.819 0.354 -1.473 1.00 0.00 C ATOM 266 C ASP A 19 9.252 0.255 -1.999 1.00 0.00 C ATOM 267 O ASP A 19 9.581 -0.574 -2.845 1.00 0.00 O ATOM 268 CB ASP A 19 7.196 -1.042 -1.531 1.00 0.00 C ATOM 269 CG ASP A 19 7.086 -1.757 -0.182 1.00 0.00 C ATOM 270 OD1 ASP A 19 6.114 -1.360 0.567 1.00 0.00 O ATOM 271 OD2 ASP A 19 7.888 -2.647 0.136 1.00 0.00 O ATOM 0 H ASP A 19 7.121 1.120 -3.295 1.00 0.00 H new ATOM 0 HA ASP A 19 7.803 0.714 -0.444 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.199 -0.961 -1.965 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.788 -1.660 -2.206 1.00 0.00 H new ATOM 276 N PRO A 20 10.109 1.132 -1.471 1.00 0.00 N ATOM 277 CA PRO A 20 11.510 1.215 -1.821 1.00 0.00 C ATOM 278 C PRO A 20 12.291 0.155 -1.056 1.00 0.00 C ATOM 279 O PRO A 20 13.254 0.504 -0.374 1.00 0.00 O ATOM 280 CB PRO A 20 11.937 2.619 -1.399 1.00 0.00 C ATOM 281 CG PRO A 20 11.052 2.877 -0.194 1.00 0.00 C ATOM 282 CD PRO A 20 9.756 2.119 -0.474 1.00 0.00 C ATOM 0 HA PRO A 20 11.693 1.043 -2.882 1.00 0.00 H new ATOM 0 HB2 PRO A 20 12.996 2.662 -1.143 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.770 3.350 -2.190 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.524 2.524 0.723 1.00 0.00 H new ATOM 0 HG3 PRO A 20 10.864 3.943 -0.065 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.371 1.647 0.430 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.978 2.789 -0.840 1.00 0.00 H new ATOM 290 N ASP A 21 11.871 -1.095 -1.177 1.00 0.00 N ATOM 291 CA ASP A 21 12.545 -2.182 -0.487 1.00 0.00 C ATOM 292 C ASP A 21 12.795 -3.328 -1.470 1.00 0.00 C ATOM 293 O ASP A 21 12.720 -4.497 -1.096 1.00 0.00 O ATOM 294 CB ASP A 21 11.689 -2.721 0.661 1.00 0.00 C ATOM 295 CG ASP A 21 11.441 -1.732 1.802 1.00 0.00 C ATOM 296 OD1 ASP A 21 12.498 -1.155 2.263 1.00 0.00 O ATOM 297 OD2 ASP A 21 10.295 -1.524 2.228 1.00 0.00 O ATOM 0 H ASP A 21 11.072 -1.380 -1.743 1.00 0.00 H new ATOM 0 HA ASP A 21 13.483 -1.797 -0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 21 10.727 -3.038 0.259 1.00 0.00 H new ATOM 0 HB3 ASP A 21 12.172 -3.609 1.069 1.00 0.00 H new ATOM 302 N SER A 22 13.086 -2.952 -2.706 1.00 0.00 N ATOM 303 CA SER A 22 13.346 -3.934 -3.745 1.00 0.00 C ATOM 304 C SER A 22 12.117 -4.822 -3.946 1.00 0.00 C ATOM 305 O SER A 22 12.134 -6.000 -3.593 1.00 0.00 O ATOM 306 CB SER A 22 14.568 -4.788 -3.402 1.00 0.00 C ATOM 307 OG SER A 22 15.715 -4.407 -4.157 1.00 0.00 O ATOM 0 H SER A 22 13.148 -1.981 -3.012 1.00 0.00 H new ATOM 0 HA SER A 22 13.557 -3.402 -4.673 1.00 0.00 H new ATOM 0 HB2 SER A 22 14.787 -4.696 -2.338 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.342 -5.837 -3.591 1.00 0.00 H new ATOM 0 HG SER A 22 16.474 -4.975 -3.908 1.00 0.00 H new ATOM 313 N GLY A 23 11.080 -4.223 -4.512 1.00 0.00 N ATOM 314 CA GLY A 23 9.844 -4.945 -4.764 1.00 0.00 C ATOM 315 C GLY A 23 8.823 -4.054 -5.473 1.00 0.00 C ATOM 316 O GLY A 23 8.079 -4.520 -6.334 1.00 0.00 O ATOM 0 H GLY A 23 11.070 -3.246 -4.803 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.050 -5.824 -5.374 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.428 -5.301 -3.822 1.00 0.00 H new ATOM 320 N ILE A 24 8.820 -2.787 -5.085 1.00 0.00 N ATOM 321 CA ILE A 24 7.902 -1.826 -5.673 1.00 0.00 C ATOM 322 C ILE A 24 8.663 -0.545 -6.017 1.00 0.00 C ATOM 323 O ILE A 24 9.585 -0.155 -5.301 1.00 0.00 O ATOM 324 CB ILE A 24 6.701 -1.600 -4.752 1.00 0.00 C ATOM 325 CG1 ILE A 24 6.204 -2.922 -4.164 1.00 0.00 C ATOM 326 CG2 ILE A 24 5.589 -0.841 -5.478 1.00 0.00 C ATOM 327 CD1 ILE A 24 5.608 -3.817 -5.253 1.00 0.00 C ATOM 0 H ILE A 24 9.439 -2.404 -4.371 1.00 0.00 H new ATOM 0 HA ILE A 24 7.491 -2.213 -6.606 1.00 0.00 H new ATOM 0 HB ILE A 24 7.023 -0.978 -3.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.029 -3.439 -3.674 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.453 -2.724 -3.399 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.747 -0.694 -4.801 1.00 0.00 H new ATOM 0 HG22 ILE A 24 5.965 0.128 -5.807 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.262 -1.416 -6.344 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.262 -4.750 -4.808 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.768 -3.307 -5.724 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.369 -4.033 -6.003 1.00 0.00 H new ATOM 339 N LYS A 25 8.250 0.075 -7.112 1.00 0.00 N ATOM 340 CA LYS A 25 8.882 1.305 -7.560 1.00 0.00 C ATOM 341 C LYS A 25 8.063 2.501 -7.070 1.00 0.00 C ATOM 342 O LYS A 25 6.854 2.424 -6.863 1.00 0.00 O ATOM 343 CB LYS A 25 9.088 1.280 -9.075 1.00 0.00 C ATOM 344 CG LYS A 25 10.551 1.000 -9.425 1.00 0.00 C ATOM 345 CD LYS A 25 10.931 1.650 -10.757 1.00 0.00 C ATOM 346 CE LYS A 25 11.219 0.589 -11.822 1.00 0.00 C ATOM 347 NZ LYS A 25 12.647 0.200 -11.792 1.00 0.00 N ATOM 0 H LYS A 25 7.485 -0.251 -7.703 1.00 0.00 H new ATOM 0 HA LYS A 25 9.878 1.401 -7.128 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.451 0.515 -9.520 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.785 2.236 -9.503 1.00 0.00 H new ATOM 0 HG2 LYS A 25 11.197 1.380 -8.634 1.00 0.00 H new ATOM 0 HG3 LYS A 25 10.715 -0.076 -9.481 1.00 0.00 H new ATOM 0 HD2 LYS A 25 10.122 2.298 -11.094 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.809 2.281 -10.620 1.00 0.00 H new ATOM 0 HE2 LYS A 25 10.594 -0.287 -11.650 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.962 0.976 -12.808 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.826 -0.520 -12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 13.238 1.035 -11.978 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 12.881 -0.188 -10.856 1.00 0.00 H new ATOM 358 N PRO A 26 8.760 3.625 -6.886 1.00 0.00 N ATOM 359 CA PRO A 26 8.190 4.874 -6.430 1.00 0.00 C ATOM 360 C PRO A 26 7.099 5.319 -7.394 1.00 0.00 C ATOM 361 O PRO A 26 7.377 5.453 -8.585 1.00 0.00 O ATOM 362 CB PRO A 26 9.356 5.860 -6.430 1.00 0.00 C ATOM 363 CG PRO A 26 10.411 5.239 -7.373 1.00 0.00 C ATOM 364 CD PRO A 26 10.183 3.751 -7.120 1.00 0.00 C ATOM 0 HA PRO A 26 7.732 4.796 -5.444 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.041 6.842 -6.783 1.00 0.00 H new ATOM 0 HB3 PRO A 26 9.757 5.996 -5.426 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.244 5.511 -8.415 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.425 5.550 -7.121 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.497 3.153 -7.975 1.00 0.00 H new ATOM 0 HD3 PRO A 26 10.757 3.404 -6.260 1.00 0.00 H new ATOM 372 N GLY A 27 5.899 5.533 -6.874 1.00 0.00 N ATOM 373 CA GLY A 27 4.788 5.959 -7.708 1.00 0.00 C ATOM 374 C GLY A 27 3.991 4.755 -8.217 1.00 0.00 C ATOM 375 O GLY A 27 3.832 4.577 -9.423 1.00 0.00 O ATOM 0 H GLY A 27 5.672 5.419 -5.886 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.133 6.619 -7.139 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.163 6.535 -8.554 1.00 0.00 H new ATOM 379 N THR A 28 3.512 3.961 -7.271 1.00 0.00 N ATOM 380 CA THR A 28 2.737 2.779 -7.608 1.00 0.00 C ATOM 381 C THR A 28 1.356 2.843 -6.952 1.00 0.00 C ATOM 382 O THR A 28 1.229 3.266 -5.804 1.00 0.00 O ATOM 383 CB THR A 28 3.548 1.548 -7.199 1.00 0.00 C ATOM 384 OG1 THR A 28 4.794 1.716 -7.869 1.00 0.00 O ATOM 385 CG2 THR A 28 2.981 0.253 -7.784 1.00 0.00 C ATOM 0 H THR A 28 3.646 4.113 -6.271 1.00 0.00 H new ATOM 0 HA THR A 28 2.551 2.720 -8.680 1.00 0.00 H new ATOM 0 HB THR A 28 3.573 1.474 -6.112 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.520 1.729 -7.211 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.593 -0.590 -7.463 1.00 0.00 H new ATOM 0 HG22 THR A 28 1.958 0.113 -7.434 1.00 0.00 H new ATOM 0 HG23 THR A 28 2.987 0.312 -8.872 1.00 0.00 H new ATOM 393 N LYS A 29 0.356 2.415 -7.708 1.00 0.00 N ATOM 394 CA LYS A 29 -1.010 2.418 -7.215 1.00 0.00 C ATOM 395 C LYS A 29 -1.219 1.212 -6.296 1.00 0.00 C ATOM 396 O LYS A 29 -0.326 0.378 -6.149 1.00 0.00 O ATOM 397 CB LYS A 29 -2.001 2.482 -8.379 1.00 0.00 C ATOM 398 CG LYS A 29 -2.429 3.924 -8.656 1.00 0.00 C ATOM 399 CD LYS A 29 -1.310 4.706 -9.346 1.00 0.00 C ATOM 400 CE LYS A 29 -1.658 6.192 -9.443 1.00 0.00 C ATOM 401 NZ LYS A 29 -0.847 6.978 -8.487 1.00 0.00 N ATOM 0 H LYS A 29 0.465 2.064 -8.659 1.00 0.00 H new ATOM 0 HA LYS A 29 -1.197 3.311 -6.618 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.545 2.056 -9.273 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.878 1.877 -8.149 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -3.320 3.928 -9.283 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.696 4.414 -7.720 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.380 4.582 -8.791 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.142 4.302 -10.344 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.480 6.548 -10.458 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -2.718 6.338 -9.235 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.096 7.985 -8.566 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -1.037 6.649 -7.519 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 0.163 6.853 -8.703 1.00 0.00 H new ATOM 412 N PHE A 30 -2.401 1.159 -5.701 1.00 0.00 N ATOM 413 CA PHE A 30 -2.738 0.069 -4.801 1.00 0.00 C ATOM 414 C PHE A 30 -3.458 -1.056 -5.547 1.00 0.00 C ATOM 415 O PHE A 30 -3.651 -2.142 -5.003 1.00 0.00 O ATOM 416 CB PHE A 30 -3.677 0.642 -3.737 1.00 0.00 C ATOM 417 CG PHE A 30 -3.965 -0.317 -2.580 1.00 0.00 C ATOM 418 CD1 PHE A 30 -3.066 -0.450 -1.568 1.00 0.00 C ATOM 419 CD2 PHE A 30 -5.119 -1.035 -2.563 1.00 0.00 C ATOM 420 CE1 PHE A 30 -3.333 -1.340 -0.495 1.00 0.00 C ATOM 421 CE2 PHE A 30 -5.386 -1.925 -1.489 1.00 0.00 C ATOM 422 CZ PHE A 30 -4.487 -2.059 -0.478 1.00 0.00 C ATOM 0 H PHE A 30 -3.138 1.853 -5.824 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.830 -0.345 -4.362 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -3.241 1.557 -3.337 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.620 0.918 -4.210 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -2.150 0.121 -1.581 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.833 -0.929 -3.366 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.619 -1.446 0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.303 -2.495 -1.475 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.689 -2.736 0.338 1.00 0.00 H new ATOM 432 N GLU A 31 -3.835 -0.758 -6.781 1.00 0.00 N ATOM 433 CA GLU A 31 -4.529 -1.731 -7.608 1.00 0.00 C ATOM 434 C GLU A 31 -3.539 -2.451 -8.525 1.00 0.00 C ATOM 435 O GLU A 31 -3.885 -3.447 -9.158 1.00 0.00 O ATOM 436 CB GLU A 31 -5.644 -1.066 -8.418 1.00 0.00 C ATOM 437 CG GLU A 31 -5.080 0.013 -9.344 1.00 0.00 C ATOM 438 CD GLU A 31 -5.317 -0.346 -10.813 1.00 0.00 C ATOM 439 OE1 GLU A 31 -5.215 -1.524 -11.188 1.00 0.00 O ATOM 440 OE2 GLU A 31 -5.619 0.650 -11.575 1.00 0.00 O ATOM 0 H GLU A 31 -3.673 0.144 -7.229 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.992 -2.470 -6.954 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -6.168 -1.818 -9.007 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -6.376 -0.624 -7.742 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -5.549 0.971 -9.120 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -4.012 0.131 -9.163 1.00 0.00 H new ATOM 447 N ASP A 32 -2.326 -1.919 -8.568 1.00 0.00 N ATOM 448 CA ASP A 32 -1.283 -2.498 -9.397 1.00 0.00 C ATOM 449 C ASP A 32 -0.381 -3.381 -8.532 1.00 0.00 C ATOM 450 O ASP A 32 0.427 -4.148 -9.053 1.00 0.00 O ATOM 451 CB ASP A 32 -0.414 -1.410 -10.029 1.00 0.00 C ATOM 452 CG ASP A 32 -1.167 -0.412 -10.911 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.434 -0.333 -10.686 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.572 0.257 -11.770 1.00 0.00 O ATOM 0 H ASP A 32 -2.042 -1.093 -8.042 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.762 -3.079 -10.185 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.090 -0.861 -9.234 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.362 -1.888 -10.627 1.00 0.00 H new ATOM 459 N LEU A 33 -0.550 -3.243 -7.225 1.00 0.00 N ATOM 460 CA LEU A 33 0.239 -4.018 -6.283 1.00 0.00 C ATOM 461 C LEU A 33 0.158 -5.500 -6.654 1.00 0.00 C ATOM 462 O LEU A 33 -0.855 -5.995 -7.143 1.00 0.00 O ATOM 463 CB LEU A 33 -0.195 -3.719 -4.847 1.00 0.00 C ATOM 464 CG LEU A 33 0.219 -2.355 -4.291 1.00 0.00 C ATOM 465 CD1 LEU A 33 -0.572 -2.015 -3.026 1.00 0.00 C ATOM 466 CD2 LEU A 33 1.729 -2.294 -4.056 1.00 0.00 C ATOM 0 H LEU A 33 -1.222 -2.606 -6.796 1.00 0.00 H new ATOM 0 HA LEU A 33 1.289 -3.732 -6.340 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.281 -3.797 -4.793 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.213 -4.493 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.022 -1.596 -5.035 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.258 -1.041 -2.652 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.637 -1.989 -3.259 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.385 -2.773 -2.265 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.996 -1.314 -3.661 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.017 -3.065 -3.341 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.251 -2.460 -4.998 1.00 0.00 H new ATOM 478 N PRO A 34 1.264 -6.206 -6.406 1.00 0.00 N ATOM 479 CA PRO A 34 1.407 -7.620 -6.677 1.00 0.00 C ATOM 480 C PRO A 34 0.135 -8.349 -6.267 1.00 0.00 C ATOM 481 O PRO A 34 -0.678 -7.768 -5.551 1.00 0.00 O ATOM 482 CB PRO A 34 2.592 -8.064 -5.822 1.00 0.00 C ATOM 483 CG PRO A 34 3.444 -6.830 -5.757 1.00 0.00 C ATOM 484 CD PRO A 34 2.472 -5.655 -5.832 1.00 0.00 C ATOM 0 HA PRO A 34 1.572 -7.836 -7.733 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.275 -8.388 -4.831 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.126 -8.899 -6.275 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.023 -6.802 -4.834 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.157 -6.802 -6.581 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.284 -5.235 -4.844 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.872 -4.851 -6.450 1.00 0.00 H new ATOM 492 N ASP A 35 -0.012 -9.585 -6.721 1.00 0.00 N ATOM 493 CA ASP A 35 -1.191 -10.368 -6.390 1.00 0.00 C ATOM 494 C ASP A 35 -0.867 -11.301 -5.221 1.00 0.00 C ATOM 495 O ASP A 35 -1.531 -12.319 -5.032 1.00 0.00 O ATOM 496 CB ASP A 35 -1.630 -11.230 -7.575 1.00 0.00 C ATOM 497 CG ASP A 35 -1.696 -10.499 -8.917 1.00 0.00 C ATOM 498 OD1 ASP A 35 -1.806 -9.265 -8.967 1.00 0.00 O ATOM 499 OD2 ASP A 35 -1.629 -11.260 -9.957 1.00 0.00 O ATOM 0 H ASP A 35 0.665 -10.064 -7.315 1.00 0.00 H new ATOM 0 HA ASP A 35 -1.993 -9.677 -6.130 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -0.941 -12.069 -7.669 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.613 -11.647 -7.357 1.00 0.00 H new ATOM 504 N ASP A 36 0.154 -10.920 -4.467 1.00 0.00 N ATOM 505 CA ASP A 36 0.574 -11.709 -3.322 1.00 0.00 C ATOM 506 C ASP A 36 1.146 -10.780 -2.250 1.00 0.00 C ATOM 507 O ASP A 36 1.890 -11.221 -1.374 1.00 0.00 O ATOM 508 CB ASP A 36 1.664 -12.709 -3.712 1.00 0.00 C ATOM 509 CG ASP A 36 1.396 -14.155 -3.290 1.00 0.00 C ATOM 510 OD1 ASP A 36 0.632 -14.880 -3.943 1.00 0.00 O ATOM 511 OD2 ASP A 36 2.020 -14.537 -2.227 1.00 0.00 O ATOM 0 H ASP A 36 0.703 -10.075 -4.627 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.295 -12.251 -2.949 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.792 -12.680 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.607 -12.386 -3.270 1.00 0.00 H new ATOM 516 N TRP A 37 0.778 -9.512 -2.353 1.00 0.00 N ATOM 517 CA TRP A 37 1.246 -8.517 -1.403 1.00 0.00 C ATOM 518 C TRP A 37 0.288 -8.514 -0.210 1.00 0.00 C ATOM 519 O TRP A 37 -0.912 -8.732 -0.373 1.00 0.00 O ATOM 520 CB TRP A 37 1.378 -7.145 -2.066 1.00 0.00 C ATOM 521 CG TRP A 37 2.056 -6.091 -1.188 1.00 0.00 C ATOM 522 CD1 TRP A 37 3.359 -5.782 -1.126 1.00 0.00 C ATOM 523 CD2 TRP A 37 1.408 -5.214 -0.242 1.00 0.00 C ATOM 524 NE1 TRP A 37 3.597 -4.775 -0.213 1.00 0.00 N ATOM 525 CE2 TRP A 37 2.373 -4.419 0.341 1.00 0.00 C ATOM 526 CE3 TRP A 37 0.052 -5.098 0.109 1.00 0.00 C ATOM 527 CZ2 TRP A 37 2.085 -3.450 1.310 1.00 0.00 C ATOM 528 CZ3 TRP A 37 -0.220 -4.125 1.079 1.00 0.00 C ATOM 529 CH2 TRP A 37 0.740 -3.316 1.675 1.00 0.00 C ATOM 0 H TRP A 37 0.161 -9.150 -3.080 1.00 0.00 H new ATOM 0 HA TRP A 37 2.246 -8.765 -1.046 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.946 -7.253 -2.990 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.385 -6.789 -2.342 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.126 -6.261 -1.716 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.504 -4.367 0.014 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.719 -5.711 -0.334 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.858 -2.839 1.752 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.247 -3.994 1.385 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.450 -2.587 2.417 1.00 0.00 H new ATOM 540 N ALA A 38 0.853 -8.266 0.962 1.00 0.00 N ATOM 541 CA ALA A 38 0.063 -8.232 2.181 1.00 0.00 C ATOM 542 C ALA A 38 0.754 -7.330 3.206 1.00 0.00 C ATOM 543 O ALA A 38 1.974 -7.177 3.181 1.00 0.00 O ATOM 544 CB ALA A 38 -0.136 -9.657 2.700 1.00 0.00 C ATOM 0 H ALA A 38 1.848 -8.087 1.094 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.925 -7.815 1.987 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.729 -9.632 3.614 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.656 -10.249 1.947 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.835 -10.107 2.909 1.00 0.00 H new ATOM 550 N CYS A 39 -0.057 -6.755 4.083 1.00 0.00 N ATOM 551 CA CYS A 39 0.461 -5.872 5.114 1.00 0.00 C ATOM 552 C CYS A 39 1.717 -6.512 5.708 1.00 0.00 C ATOM 553 O CYS A 39 1.659 -7.418 6.537 1.00 0.00 O ATOM 554 CB CYS A 39 -0.590 -5.577 6.186 1.00 0.00 C ATOM 555 SG CYS A 39 -0.050 -4.412 7.490 1.00 0.00 S ATOM 0 H CYS A 39 -1.069 -6.884 4.100 1.00 0.00 H new ATOM 0 HA CYS A 39 0.718 -4.908 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.479 -5.172 5.702 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.883 -6.516 6.656 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.291 -3.193 7.109 1.00 0.00 H new ATOM 560 N PRO A 40 2.871 -6.014 5.258 1.00 0.00 N ATOM 561 CA PRO A 40 4.177 -6.468 5.685 1.00 0.00 C ATOM 562 C PRO A 40 4.394 -6.099 7.145 1.00 0.00 C ATOM 563 O PRO A 40 5.439 -6.443 7.696 1.00 0.00 O ATOM 564 CB PRO A 40 5.163 -5.729 4.781 1.00 0.00 C ATOM 565 CG PRO A 40 4.355 -5.128 3.653 1.00 0.00 C ATOM 566 CD PRO A 40 2.976 -4.949 4.284 1.00 0.00 C ATOM 0 HA PRO A 40 4.296 -7.549 5.609 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.689 -4.952 5.336 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.919 -6.412 4.394 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.773 -4.179 3.317 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.320 -5.786 2.785 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.882 -3.971 4.756 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.187 -5.019 3.535 1.00 0.00 H new ATOM 574 N VAL A 41 3.424 -5.417 7.736 1.00 0.00 N ATOM 575 CA VAL A 41 3.533 -5.015 9.128 1.00 0.00 C ATOM 576 C VAL A 41 2.973 -6.124 10.021 1.00 0.00 C ATOM 577 O VAL A 41 3.707 -6.726 10.803 1.00 0.00 O ATOM 578 CB VAL A 41 2.836 -3.669 9.339 1.00 0.00 C ATOM 579 CG1 VAL A 41 3.058 -3.154 10.763 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.303 -2.642 8.306 1.00 0.00 C ATOM 0 H VAL A 41 2.559 -5.133 7.276 1.00 0.00 H new ATOM 0 HA VAL A 41 4.578 -4.873 9.404 1.00 0.00 H new ATOM 0 HB VAL A 41 1.766 -3.821 9.200 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.552 -2.196 10.886 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.654 -3.872 11.477 1.00 0.00 H new ATOM 0 HG13 VAL A 41 4.126 -3.026 10.941 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.792 -1.695 8.478 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.379 -2.496 8.399 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.071 -3.002 7.304 1.00 0.00 H new ATOM 590 N CYS A 42 1.678 -6.361 9.874 1.00 0.00 N ATOM 591 CA CYS A 42 1.011 -7.387 10.658 1.00 0.00 C ATOM 592 C CYS A 42 0.788 -8.607 9.761 1.00 0.00 C ATOM 593 O CYS A 42 0.923 -9.744 10.209 1.00 0.00 O ATOM 594 CB CYS A 42 -0.298 -6.876 11.262 1.00 0.00 C ATOM 595 SG CYS A 42 -1.530 -6.291 10.042 1.00 0.00 S ATOM 0 H CYS A 42 1.073 -5.860 9.224 1.00 0.00 H new ATOM 0 HA CYS A 42 1.639 -7.668 11.503 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -0.745 -7.675 11.854 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.071 -6.060 11.948 1.00 0.00 H new ATOM 0 HG CYS A 42 -0.929 -5.617 9.107 1.00 0.00 H new ATOM 600 N GLY A 43 0.451 -8.328 8.510 1.00 0.00 N ATOM 601 CA GLY A 43 0.208 -9.388 7.547 1.00 0.00 C ATOM 602 C GLY A 43 -1.104 -9.155 6.794 1.00 0.00 C ATOM 603 O GLY A 43 -1.246 -9.569 5.644 1.00 0.00 O ATOM 0 H GLY A 43 0.341 -7.383 8.142 1.00 0.00 H new ATOM 0 HA2 GLY A 43 1.035 -9.437 6.838 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.171 -10.349 8.060 1.00 0.00 H new ATOM 607 N ALA A 44 -2.029 -8.493 7.473 1.00 0.00 N ATOM 608 CA ALA A 44 -3.323 -8.199 6.882 1.00 0.00 C ATOM 609 C ALA A 44 -3.201 -8.221 5.358 1.00 0.00 C ATOM 610 O ALA A 44 -2.297 -7.605 4.795 1.00 0.00 O ATOM 611 CB ALA A 44 -3.831 -6.854 7.407 1.00 0.00 C ATOM 0 H ALA A 44 -1.908 -8.152 8.427 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.054 -8.957 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -4.802 -6.634 6.963 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -3.930 -6.901 8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.124 -6.069 7.140 1.00 0.00 H new ATOM 617 N SER A 45 -4.123 -8.937 4.732 1.00 0.00 N ATOM 618 CA SER A 45 -4.130 -9.048 3.283 1.00 0.00 C ATOM 619 C SER A 45 -4.204 -7.656 2.652 1.00 0.00 C ATOM 620 O SER A 45 -4.091 -6.648 3.349 1.00 0.00 O ATOM 621 CB SER A 45 -5.297 -9.911 2.802 1.00 0.00 C ATOM 622 OG SER A 45 -6.513 -9.172 2.726 1.00 0.00 O ATOM 0 H SER A 45 -4.871 -9.447 5.202 1.00 0.00 H new ATOM 0 HA SER A 45 -3.204 -9.532 2.973 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.062 -10.324 1.821 1.00 0.00 H new ATOM 0 HB3 SER A 45 -5.427 -10.755 3.480 1.00 0.00 H new ATOM 0 HG SER A 45 -7.233 -9.758 2.413 1.00 0.00 H new ATOM 628 N LYS A 46 -4.393 -7.644 1.341 1.00 0.00 N ATOM 629 CA LYS A 46 -4.484 -6.392 0.609 1.00 0.00 C ATOM 630 C LYS A 46 -5.951 -5.967 0.514 1.00 0.00 C ATOM 631 O LYS A 46 -6.349 -5.309 -0.445 1.00 0.00 O ATOM 632 CB LYS A 46 -3.790 -6.515 -0.749 1.00 0.00 C ATOM 633 CG LYS A 46 -3.320 -5.147 -1.250 1.00 0.00 C ATOM 634 CD LYS A 46 -2.345 -5.297 -2.419 1.00 0.00 C ATOM 635 CE LYS A 46 -3.087 -5.641 -3.711 1.00 0.00 C ATOM 636 NZ LYS A 46 -3.428 -7.081 -3.746 1.00 0.00 N ATOM 0 H LYS A 46 -4.486 -8.482 0.766 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.957 -5.600 1.141 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.937 -7.189 -0.666 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.475 -6.956 -1.473 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.180 -4.555 -1.563 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.838 -4.604 -0.437 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -1.786 -4.371 -2.552 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.619 -6.078 -2.194 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -3.996 -5.044 -3.785 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.468 -5.387 -4.571 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -3.156 -7.480 -4.667 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -2.916 -7.577 -2.989 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.452 -7.199 -3.607 1.00 0.00 H new ATOM 647 N ASP A 47 -6.714 -6.361 1.523 1.00 0.00 N ATOM 648 CA ASP A 47 -8.128 -6.029 1.565 1.00 0.00 C ATOM 649 C ASP A 47 -8.398 -5.118 2.764 1.00 0.00 C ATOM 650 O ASP A 47 -9.117 -4.127 2.645 1.00 0.00 O ATOM 651 CB ASP A 47 -8.985 -7.287 1.724 1.00 0.00 C ATOM 652 CG ASP A 47 -9.099 -8.156 0.470 1.00 0.00 C ATOM 653 OD1 ASP A 47 -8.842 -7.694 -0.652 1.00 0.00 O ATOM 654 OD2 ASP A 47 -9.473 -9.372 0.681 1.00 0.00 O ATOM 0 H ASP A 47 -6.380 -6.907 2.317 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.386 -5.533 0.629 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.569 -7.892 2.530 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.987 -6.989 2.033 1.00 0.00 H new ATOM 659 N ALA A 48 -7.807 -5.486 3.891 1.00 0.00 N ATOM 660 CA ALA A 48 -7.975 -4.715 5.111 1.00 0.00 C ATOM 661 C ALA A 48 -7.918 -3.223 4.777 1.00 0.00 C ATOM 662 O ALA A 48 -8.904 -2.507 4.948 1.00 0.00 O ATOM 663 CB ALA A 48 -6.907 -5.126 6.126 1.00 0.00 C ATOM 0 H ALA A 48 -7.211 -6.308 3.985 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.947 -4.916 5.561 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -7.033 -4.548 7.041 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -7.008 -6.188 6.351 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.918 -4.936 5.710 1.00 0.00 H new ATOM 669 N PHE A 49 -6.755 -2.798 4.307 1.00 0.00 N ATOM 670 CA PHE A 49 -6.557 -1.404 3.947 1.00 0.00 C ATOM 671 C PHE A 49 -7.825 -0.812 3.330 1.00 0.00 C ATOM 672 O PHE A 49 -8.594 -1.520 2.683 1.00 0.00 O ATOM 673 CB PHE A 49 -5.432 -1.365 2.910 1.00 0.00 C ATOM 674 CG PHE A 49 -4.053 -1.709 3.475 1.00 0.00 C ATOM 675 CD1 PHE A 49 -3.266 -0.728 3.993 1.00 0.00 C ATOM 676 CD2 PHE A 49 -3.613 -2.996 3.459 1.00 0.00 C ATOM 677 CE1 PHE A 49 -1.986 -1.048 4.518 1.00 0.00 C ATOM 678 CE2 PHE A 49 -2.333 -3.315 3.983 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.546 -2.334 4.502 1.00 0.00 C ATOM 0 H PHE A 49 -5.940 -3.394 4.167 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.312 -0.821 4.835 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.668 -2.062 2.106 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.394 -0.370 2.467 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -3.615 0.294 4.005 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -4.238 -3.775 3.048 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -1.362 -0.269 4.930 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.984 -4.337 3.970 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.572 -2.577 4.901 1.00 0.00 H new ATOM 689 N GLU A 50 -8.004 0.482 3.551 1.00 0.00 N ATOM 690 CA GLU A 50 -9.165 1.178 3.024 1.00 0.00 C ATOM 691 C GLU A 50 -8.817 2.637 2.719 1.00 0.00 C ATOM 692 O GLU A 50 -8.370 3.369 3.601 1.00 0.00 O ATOM 693 CB GLU A 50 -10.345 1.087 3.994 1.00 0.00 C ATOM 694 CG GLU A 50 -9.934 1.524 5.401 1.00 0.00 C ATOM 695 CD GLU A 50 -11.162 1.821 6.264 1.00 0.00 C ATOM 696 OE1 GLU A 50 -12.115 2.456 5.788 1.00 0.00 O ATOM 697 OE2 GLU A 50 -11.103 1.367 7.470 1.00 0.00 O ATOM 0 H GLU A 50 -7.364 1.067 4.088 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.463 0.694 2.094 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -11.162 1.715 3.638 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -10.719 0.064 4.022 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -9.337 0.741 5.869 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -9.304 2.412 5.340 1.00 0.00 H new ATOM 704 N LYS A 51 -9.037 3.015 1.469 1.00 0.00 N ATOM 705 CA LYS A 51 -8.752 4.373 1.037 1.00 0.00 C ATOM 706 C LYS A 51 -9.177 5.352 2.133 1.00 0.00 C ATOM 707 O LYS A 51 -10.356 5.681 2.254 1.00 0.00 O ATOM 708 CB LYS A 51 -9.401 4.650 -0.321 1.00 0.00 C ATOM 709 CG LYS A 51 -8.810 3.748 -1.406 1.00 0.00 C ATOM 710 CD LYS A 51 -9.750 3.650 -2.609 1.00 0.00 C ATOM 711 CE LYS A 51 -9.962 5.022 -3.252 1.00 0.00 C ATOM 712 NZ LYS A 51 -11.350 5.488 -3.031 1.00 0.00 N ATOM 0 H LYS A 51 -9.409 2.405 0.741 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.681 4.508 0.886 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -10.477 4.487 -0.254 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -9.253 5.695 -0.592 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -7.845 4.141 -1.725 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -8.630 2.753 -0.999 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -9.335 2.960 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.709 3.240 -2.293 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -9.259 5.741 -2.830 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -9.757 4.965 -4.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -11.478 6.420 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -12.015 4.810 -3.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -11.533 5.561 -2.010 1.00 0.00 H new ATOM 723 N GLN A 52 -8.192 5.791 2.904 1.00 0.00 N ATOM 724 CA GLN A 52 -8.450 6.725 3.987 1.00 0.00 C ATOM 725 C GLN A 52 -8.469 8.160 3.455 1.00 0.00 C ATOM 726 O GLN A 52 -9.481 8.615 2.924 1.00 0.00 O ATOM 727 CB GLN A 52 -7.416 6.569 5.103 1.00 0.00 C ATOM 728 CG GLN A 52 -7.840 7.339 6.356 1.00 0.00 C ATOM 729 CD GLN A 52 -7.291 8.767 6.333 1.00 0.00 C ATOM 730 OE1 GLN A 52 -7.818 9.652 5.680 1.00 0.00 O ATOM 731 NE2 GLN A 52 -6.205 8.940 7.082 1.00 0.00 N ATOM 732 OXT GLN A 52 -7.422 8.829 3.588 1.00 0.00 O ATOM 0 H GLN A 52 -7.215 5.517 2.800 1.00 0.00 H new ATOM 0 HA GLN A 52 -9.429 6.501 4.410 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -7.293 5.513 5.345 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -6.447 6.932 4.759 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -8.928 7.365 6.421 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -7.480 6.821 7.245 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -5.815 8.155 7.604 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.762 9.857 7.134 1.00 0.00 H new TER 741 GLN A 52