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 157:sc= 0.733 USER MOD Set 1.2: A 9 CYS SG : rot -81:sc= 1.18 USER MOD Set 1.3: A 39 CYS SG : rot 110:sc= 0.556 USER MOD Set 1.4: A 42 CYS SG : rot -45:sc= 0.0936 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 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot -91:sc= -0.348! USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= -1.53! 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 110:sc= 1.23 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.00328 USER MOD Single : A 46 LYS NZ :NH3+ -120:sc= -0.658 (180deg=-1.53) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.83) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -6.971 10.411 -0.207 1.00 0.00 N ATOM 2 CA MET A 1 -7.210 10.474 -1.638 1.00 0.00 C ATOM 3 C MET A 1 -6.721 9.201 -2.333 1.00 0.00 C ATOM 4 O MET A 1 -7.505 8.493 -2.962 1.00 0.00 O ATOM 5 CB MET A 1 -6.484 11.687 -2.225 1.00 0.00 C ATOM 6 CG MET A 1 -7.352 12.943 -2.131 1.00 0.00 C ATOM 7 SD MET A 1 -6.732 14.197 -3.240 1.00 0.00 S ATOM 8 CE MET A 1 -8.171 14.441 -4.267 1.00 0.00 C ATOM 0 H1 MET A 1 -7.311 11.286 0.241 1.00 0.00 H new ATOM 0 H2 MET A 1 -7.478 9.597 0.194 1.00 0.00 H new ATOM 0 H3 MET A 1 -5.952 10.305 -0.030 1.00 0.00 H new ATOM 0 HA MET A 1 -8.283 10.567 -1.804 1.00 0.00 H new ATOM 0 HB2 MET A 1 -5.547 11.847 -1.692 1.00 0.00 H new ATOM 0 HB3 MET A 1 -6.229 11.494 -3.267 1.00 0.00 H new ATOM 0 HG2 MET A 1 -8.385 12.701 -2.383 1.00 0.00 H new ATOM 0 HG3 MET A 1 -7.353 13.319 -1.108 1.00 0.00 H new ATOM 0 HE1 MET A 1 -7.956 15.199 -5.020 1.00 0.00 H new ATOM 0 HE2 MET A 1 -8.430 13.503 -4.759 1.00 0.00 H new ATOM 0 HE3 MET A 1 -9.007 14.770 -3.650 1.00 0.00 H new ATOM 20 N ASP A 2 -5.428 8.950 -2.194 1.00 0.00 N ATOM 21 CA ASP A 2 -4.825 7.775 -2.800 1.00 0.00 C ATOM 22 C ASP A 2 -4.209 6.901 -1.706 1.00 0.00 C ATOM 23 O ASP A 2 -4.324 5.677 -1.745 1.00 0.00 O ATOM 24 CB ASP A 2 -3.712 8.167 -3.775 1.00 0.00 C ATOM 25 CG ASP A 2 -4.191 8.805 -5.080 1.00 0.00 C ATOM 26 OD1 ASP A 2 -4.578 9.983 -5.111 1.00 0.00 O ATOM 27 OD2 ASP A 2 -4.156 8.031 -6.111 1.00 0.00 O ATOM 0 H ASP A 2 -4.781 9.540 -1.671 1.00 0.00 H new ATOM 0 HA ASP A 2 -5.604 7.237 -3.340 1.00 0.00 H new ATOM 0 HB2 ASP A 2 -3.039 8.862 -3.274 1.00 0.00 H new ATOM 0 HB3 ASP A 2 -3.130 7.277 -4.015 1.00 0.00 H new ATOM 32 N ILE A 3 -3.568 7.564 -0.755 1.00 0.00 N ATOM 33 CA ILE A 3 -2.933 6.864 0.349 1.00 0.00 C ATOM 34 C ILE A 3 -3.896 5.810 0.899 1.00 0.00 C ATOM 35 O ILE A 3 -5.114 5.968 0.886 1.00 0.00 O ATOM 36 CB ILE A 3 -2.442 7.858 1.403 1.00 0.00 C ATOM 37 CG1 ILE A 3 -1.358 8.774 0.830 1.00 0.00 C ATOM 38 CG2 ILE A 3 -1.970 7.131 2.664 1.00 0.00 C ATOM 39 CD1 ILE A 3 -1.583 10.225 1.260 1.00 0.00 C ATOM 0 H ILE A 3 -3.475 8.579 -0.726 1.00 0.00 H new ATOM 0 HA ILE A 3 -2.044 6.336 0.004 1.00 0.00 H new ATOM 0 HB ILE A 3 -3.280 8.492 1.691 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -0.377 8.439 1.168 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -1.360 8.709 -0.258 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -1.626 7.860 3.397 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -2.796 6.556 3.083 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -1.151 6.457 2.411 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -0.799 10.855 0.839 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -2.554 10.565 0.900 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -1.557 10.290 2.348 1.00 0.00 H new ATOM 51 N TYR A 4 -3.312 4.713 1.388 1.00 0.00 N ATOM 52 CA TYR A 4 -4.085 3.621 1.945 1.00 0.00 C ATOM 53 C TYR A 4 -3.615 3.326 3.362 1.00 0.00 C ATOM 54 O TYR A 4 -2.412 3.376 3.613 1.00 0.00 O ATOM 55 CB TYR A 4 -3.933 2.389 1.057 1.00 0.00 C ATOM 56 CG TYR A 4 -4.720 2.472 -0.229 1.00 0.00 C ATOM 57 CD1 TYR A 4 -4.189 3.152 -1.331 1.00 0.00 C ATOM 58 CD2 TYR A 4 -5.980 1.869 -0.319 1.00 0.00 C ATOM 59 CE1 TYR A 4 -4.918 3.229 -2.524 1.00 0.00 C ATOM 60 CE2 TYR A 4 -6.709 1.946 -1.512 1.00 0.00 C ATOM 61 CZ TYR A 4 -6.178 2.626 -2.614 1.00 0.00 C ATOM 62 OH TYR A 4 -6.888 2.700 -3.776 1.00 0.00 O ATOM 0 H TYR A 4 -2.303 4.566 1.405 1.00 0.00 H new ATOM 0 HA TYR A 4 -5.139 3.898 1.984 1.00 0.00 H new ATOM 0 HB2 TYR A 4 -2.878 2.250 0.820 1.00 0.00 H new ATOM 0 HB3 TYR A 4 -4.253 1.508 1.613 1.00 0.00 H new ATOM 0 HD1 TYR A 4 -3.217 3.617 -1.261 1.00 0.00 H new ATOM 0 HD2 TYR A 4 -6.390 1.344 0.532 1.00 0.00 H new ATOM 0 HE1 TYR A 4 -4.508 3.754 -3.375 1.00 0.00 H new ATOM 0 HE2 TYR A 4 -7.681 1.481 -1.582 1.00 0.00 H new ATOM 0 HH TYR A 4 -7.740 2.228 -3.669 1.00 0.00 H new ATOM 72 N VAL A 5 -4.555 3.029 4.248 1.00 0.00 N ATOM 73 CA VAL A 5 -4.214 2.731 5.629 1.00 0.00 C ATOM 74 C VAL A 5 -4.781 1.361 6.005 1.00 0.00 C ATOM 75 O VAL A 5 -5.897 1.019 5.617 1.00 0.00 O ATOM 76 CB VAL A 5 -4.707 3.854 6.544 1.00 0.00 C ATOM 77 CG1 VAL A 5 -4.438 3.521 8.013 1.00 0.00 C ATOM 78 CG2 VAL A 5 -4.073 5.192 6.160 1.00 0.00 C ATOM 0 H VAL A 5 -5.552 2.988 4.036 1.00 0.00 H new ATOM 0 HA VAL A 5 -3.132 2.680 5.753 1.00 0.00 H new ATOM 0 HB VAL A 5 -5.785 3.945 6.413 1.00 0.00 H new ATOM 0 HG11 VAL A 5 -4.798 4.335 8.642 1.00 0.00 H new ATOM 0 HG12 VAL A 5 -4.958 2.600 8.278 1.00 0.00 H new ATOM 0 HG13 VAL A 5 -3.367 3.390 8.166 1.00 0.00 H new ATOM 0 HG21 VAL A 5 -4.440 5.973 6.826 1.00 0.00 H new ATOM 0 HG22 VAL A 5 -2.989 5.120 6.249 1.00 0.00 H new ATOM 0 HG23 VAL A 5 -4.337 5.438 5.132 1.00 0.00 H new ATOM 88 N CYS A 6 -3.986 0.613 6.757 1.00 0.00 N ATOM 89 CA CYS A 6 -4.395 -0.712 7.190 1.00 0.00 C ATOM 90 C CYS A 6 -5.455 -0.555 8.282 1.00 0.00 C ATOM 91 O CYS A 6 -5.415 0.398 9.059 1.00 0.00 O ATOM 92 CB CYS A 6 -3.203 -1.544 7.667 1.00 0.00 C ATOM 93 SG CYS A 6 -3.571 -3.312 7.966 1.00 0.00 S ATOM 0 H CYS A 6 -3.061 0.900 7.077 1.00 0.00 H new ATOM 0 HA CYS A 6 -4.821 -1.257 6.348 1.00 0.00 H new ATOM 0 HB2 CYS A 6 -2.408 -1.473 6.924 1.00 0.00 H new ATOM 0 HB3 CYS A 6 -2.818 -1.107 8.588 1.00 0.00 H new ATOM 0 HG CYS A 6 -2.474 -4.004 7.878 1.00 0.00 H new ATOM 98 N THR A 7 -6.378 -1.505 8.307 1.00 0.00 N ATOM 99 CA THR A 7 -7.447 -1.484 9.291 1.00 0.00 C ATOM 100 C THR A 7 -7.160 -2.484 10.412 1.00 0.00 C ATOM 101 O THR A 7 -8.044 -2.805 11.205 1.00 0.00 O ATOM 102 CB THR A 7 -8.766 -1.750 8.562 1.00 0.00 C ATOM 103 OG1 THR A 7 -8.455 -2.804 7.655 1.00 0.00 O ATOM 104 CG2 THR A 7 -9.179 -0.588 7.656 1.00 0.00 C ATOM 0 H THR A 7 -6.408 -2.294 7.662 1.00 0.00 H new ATOM 0 HA THR A 7 -7.518 -0.511 9.777 1.00 0.00 H new ATOM 0 HB THR A 7 -9.553 -1.938 9.293 1.00 0.00 H new ATOM 0 HG1 THR A 7 -8.166 -2.424 6.799 1.00 0.00 H new ATOM 0 HG21 THR A 7 -10.121 -0.828 7.163 1.00 0.00 H new ATOM 0 HG22 THR A 7 -9.303 0.314 8.255 1.00 0.00 H new ATOM 0 HG23 THR A 7 -8.408 -0.421 6.904 1.00 0.00 H new ATOM 112 N VAL A 8 -5.920 -2.951 10.442 1.00 0.00 N ATOM 113 CA VAL A 8 -5.505 -3.908 11.453 1.00 0.00 C ATOM 114 C VAL A 8 -4.587 -3.214 12.461 1.00 0.00 C ATOM 115 O VAL A 8 -4.761 -3.362 13.670 1.00 0.00 O ATOM 116 CB VAL A 8 -4.853 -5.122 10.788 1.00 0.00 C ATOM 117 CG1 VAL A 8 -4.482 -6.183 11.826 1.00 0.00 C ATOM 118 CG2 VAL A 8 -5.761 -5.707 9.704 1.00 0.00 C ATOM 0 H VAL A 8 -5.189 -2.684 9.782 1.00 0.00 H new ATOM 0 HA VAL A 8 -6.369 -4.280 12.003 1.00 0.00 H new ATOM 0 HB VAL A 8 -3.933 -4.788 10.309 1.00 0.00 H new ATOM 0 HG11 VAL A 8 -4.020 -7.035 11.327 1.00 0.00 H new ATOM 0 HG12 VAL A 8 -3.780 -5.759 12.544 1.00 0.00 H new ATOM 0 HG13 VAL A 8 -5.381 -6.512 12.348 1.00 0.00 H new ATOM 0 HG21 VAL A 8 -5.274 -6.569 9.247 1.00 0.00 H new ATOM 0 HG22 VAL A 8 -6.706 -6.018 10.150 1.00 0.00 H new ATOM 0 HG23 VAL A 8 -5.951 -4.951 8.942 1.00 0.00 H new ATOM 128 N CYS A 9 -3.629 -2.470 11.927 1.00 0.00 N ATOM 129 CA CYS A 9 -2.684 -1.753 12.765 1.00 0.00 C ATOM 130 C CYS A 9 -2.828 -0.257 12.479 1.00 0.00 C ATOM 131 O CYS A 9 -3.285 0.501 13.333 1.00 0.00 O ATOM 132 CB CYS A 9 -1.250 -2.240 12.546 1.00 0.00 C ATOM 133 SG CYS A 9 -0.918 -2.924 10.881 1.00 0.00 S ATOM 0 H CYS A 9 -3.487 -2.349 10.924 1.00 0.00 H new ATOM 0 HA CYS A 9 -2.907 -1.945 13.815 1.00 0.00 H new ATOM 0 HB2 CYS A 9 -0.568 -1.409 12.725 1.00 0.00 H new ATOM 0 HB3 CYS A 9 -1.023 -3.004 13.289 1.00 0.00 H new ATOM 0 HG CYS A 9 -1.339 -4.153 10.825 1.00 0.00 H new ATOM 138 N GLY A 10 -2.429 0.124 11.274 1.00 0.00 N ATOM 139 CA GLY A 10 -2.508 1.516 10.865 1.00 0.00 C ATOM 140 C GLY A 10 -1.696 1.760 9.591 1.00 0.00 C ATOM 141 O GLY A 10 -2.187 2.283 8.594 1.00 0.00 O ATOM 0 H GLY A 10 -2.050 -0.507 10.568 1.00 0.00 H new ATOM 0 HA2 GLY A 10 -3.549 1.790 10.695 1.00 0.00 H new ATOM 0 HA3 GLY A 10 -2.136 2.156 11.666 1.00 0.00 H new ATOM 145 N TYR A 11 -0.423 1.362 9.649 1.00 0.00 N ATOM 146 CA TYR A 11 0.479 1.524 8.526 1.00 0.00 C ATOM 147 C TYR A 11 0.129 2.793 7.762 1.00 0.00 C ATOM 148 O TYR A 11 -0.315 3.758 8.383 1.00 0.00 O ATOM 149 CB TYR A 11 0.382 0.302 7.618 1.00 0.00 C ATOM 150 CG TYR A 11 1.631 0.055 6.805 1.00 0.00 C ATOM 151 CD1 TYR A 11 2.889 0.124 7.416 1.00 0.00 C ATOM 152 CD2 TYR A 11 1.531 -0.244 5.441 1.00 0.00 C ATOM 153 CE1 TYR A 11 4.046 -0.106 6.663 1.00 0.00 C ATOM 154 CE2 TYR A 11 2.688 -0.473 4.688 1.00 0.00 C ATOM 155 CZ TYR A 11 3.946 -0.405 5.299 1.00 0.00 C ATOM 156 OH TYR A 11 5.074 -0.629 4.566 1.00 0.00 O ATOM 0 H TYR A 11 -0.001 0.925 10.468 1.00 0.00 H new ATOM 0 HA TYR A 11 1.504 1.612 8.887 1.00 0.00 H new ATOM 0 HB2 TYR A 11 0.175 -0.578 8.227 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -0.463 0.428 6.942 1.00 0.00 H new ATOM 0 HD1 TYR A 11 2.966 0.355 8.468 1.00 0.00 H new ATOM 0 HD2 TYR A 11 0.561 -0.298 4.970 1.00 0.00 H new ATOM 0 HE1 TYR A 11 5.016 -0.053 7.134 1.00 0.00 H new ATOM 0 HE2 TYR A 11 2.611 -0.702 3.635 1.00 0.00 H new ATOM 0 HH TYR A 11 4.828 -0.824 3.638 1.00 0.00 H new ATOM 166 N GLU A 12 0.331 2.772 6.453 1.00 0.00 N ATOM 167 CA GLU A 12 0.029 3.931 5.630 1.00 0.00 C ATOM 168 C GLU A 12 0.783 3.849 4.301 1.00 0.00 C ATOM 169 O GLU A 12 1.816 4.482 4.096 1.00 0.00 O ATOM 170 CB GLU A 12 0.361 5.229 6.369 1.00 0.00 C ATOM 171 CG GLU A 12 1.656 5.088 7.171 1.00 0.00 C ATOM 172 CD GLU A 12 2.626 6.227 6.851 1.00 0.00 C ATOM 173 OE1 GLU A 12 2.190 7.333 6.501 1.00 0.00 O ATOM 174 OE2 GLU A 12 3.875 5.931 6.978 1.00 0.00 O ATOM 0 H GLU A 12 0.700 1.970 5.942 1.00 0.00 H new ATOM 0 HA GLU A 12 -1.040 3.934 5.419 1.00 0.00 H new ATOM 0 HB2 GLU A 12 0.460 6.044 5.652 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -0.459 5.490 7.038 1.00 0.00 H new ATOM 0 HG2 GLU A 12 1.429 5.087 8.237 1.00 0.00 H new ATOM 0 HG3 GLU A 12 2.126 4.131 6.944 1.00 0.00 H new ATOM 181 N TYR A 13 0.233 3.043 3.390 1.00 0.00 N ATOM 182 CA TYR A 13 0.826 2.855 2.081 1.00 0.00 C ATOM 183 C TYR A 13 0.754 4.154 1.290 1.00 0.00 C ATOM 184 O TYR A 13 -0.344 4.673 1.098 1.00 0.00 O ATOM 185 CB TYR A 13 0.092 1.735 1.349 1.00 0.00 C ATOM 186 CG TYR A 13 0.712 1.378 0.019 1.00 0.00 C ATOM 187 CD1 TYR A 13 1.965 0.755 -0.025 1.00 0.00 C ATOM 188 CD2 TYR A 13 0.033 1.670 -1.171 1.00 0.00 C ATOM 189 CE1 TYR A 13 2.539 0.424 -1.258 1.00 0.00 C ATOM 190 CE2 TYR A 13 0.608 1.338 -2.404 1.00 0.00 C ATOM 191 CZ TYR A 13 1.861 0.715 -2.447 1.00 0.00 C ATOM 192 OH TYR A 13 2.420 0.392 -3.649 1.00 0.00 O ATOM 0 H TYR A 13 -0.625 2.512 3.544 1.00 0.00 H new ATOM 0 HA TYR A 13 1.874 2.577 2.188 1.00 0.00 H new ATOM 0 HB2 TYR A 13 0.074 0.848 1.982 1.00 0.00 H new ATOM 0 HB3 TYR A 13 -0.944 2.034 1.190 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.489 0.530 0.892 1.00 0.00 H new ATOM 0 HD2 TYR A 13 -0.933 2.151 -1.138 1.00 0.00 H new ATOM 0 HE1 TYR A 13 3.506 -0.056 -1.292 1.00 0.00 H new ATOM 0 HE2 TYR A 13 0.085 1.563 -3.322 1.00 0.00 H new ATOM 0 HH TYR A 13 1.817 0.662 -4.373 1.00 0.00 H new ATOM 202 N ASP A 14 1.904 4.647 0.855 1.00 0.00 N ATOM 203 CA ASP A 14 1.947 5.882 0.090 1.00 0.00 C ATOM 204 C ASP A 14 2.352 5.570 -1.352 1.00 0.00 C ATOM 205 O ASP A 14 3.515 5.328 -1.665 1.00 0.00 O ATOM 206 CB ASP A 14 2.976 6.854 0.670 1.00 0.00 C ATOM 207 CG ASP A 14 2.431 8.239 1.022 1.00 0.00 C ATOM 208 OD1 ASP A 14 2.028 8.938 0.015 1.00 0.00 O ATOM 209 OD2 ASP A 14 2.394 8.631 2.198 1.00 0.00 O ATOM 0 H ASP A 14 2.813 4.214 1.018 1.00 0.00 H new ATOM 0 HA ASP A 14 0.958 6.338 0.130 1.00 0.00 H new ATOM 0 HB2 ASP A 14 3.406 6.411 1.568 1.00 0.00 H new ATOM 0 HB3 ASP A 14 3.788 6.971 -0.048 1.00 0.00 H new ATOM 214 N PRO A 15 1.350 5.582 -2.234 1.00 0.00 N ATOM 215 CA PRO A 15 1.506 5.317 -3.649 1.00 0.00 C ATOM 216 C PRO A 15 2.648 6.156 -4.203 1.00 0.00 C ATOM 217 O PRO A 15 3.224 5.777 -5.221 1.00 0.00 O ATOM 218 CB PRO A 15 0.173 5.726 -4.272 1.00 0.00 C ATOM 219 CG PRO A 15 -0.833 5.379 -3.105 1.00 0.00 C ATOM 220 CD PRO A 15 -0.029 5.863 -1.900 1.00 0.00 C ATOM 0 HA PRO A 15 1.745 4.275 -3.862 1.00 0.00 H new ATOM 0 HB2 PRO A 15 0.149 6.784 -4.534 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -0.044 5.167 -5.182 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.784 5.902 -3.207 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -1.058 4.314 -3.054 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -0.184 6.928 -1.724 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.329 5.343 -0.990 1.00 0.00 H new ATOM 228 N ALA A 16 2.949 7.262 -3.538 1.00 0.00 N ATOM 229 CA ALA A 16 4.022 8.134 -3.984 1.00 0.00 C ATOM 230 C ALA A 16 5.369 7.503 -3.625 1.00 0.00 C ATOM 231 O ALA A 16 6.356 7.693 -4.335 1.00 0.00 O ATOM 232 CB ALA A 16 3.844 9.521 -3.362 1.00 0.00 C ATOM 0 H ALA A 16 2.469 7.574 -2.694 1.00 0.00 H new ATOM 0 HA ALA A 16 3.993 8.255 -5.067 1.00 0.00 H new ATOM 0 HB1 ALA A 16 4.649 10.176 -3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 16 2.885 9.938 -3.671 1.00 0.00 H new ATOM 0 HB3 ALA A 16 3.871 9.439 -2.275 1.00 0.00 H new ATOM 238 N LYS A 17 5.367 6.766 -2.525 1.00 0.00 N ATOM 239 CA LYS A 17 6.576 6.106 -2.064 1.00 0.00 C ATOM 240 C LYS A 17 6.598 4.668 -2.586 1.00 0.00 C ATOM 241 O LYS A 17 7.595 4.225 -3.155 1.00 0.00 O ATOM 242 CB LYS A 17 6.697 6.209 -0.542 1.00 0.00 C ATOM 243 CG LYS A 17 7.782 7.212 -0.145 1.00 0.00 C ATOM 244 CD LYS A 17 9.092 6.497 0.193 1.00 0.00 C ATOM 245 CE LYS A 17 10.104 6.641 -0.944 1.00 0.00 C ATOM 246 NZ LYS A 17 11.274 7.431 -0.500 1.00 0.00 N ATOM 0 H LYS A 17 4.547 6.611 -1.939 1.00 0.00 H new ATOM 0 HA LYS A 17 7.458 6.605 -2.465 1.00 0.00 H new ATOM 0 HB2 LYS A 17 5.741 6.515 -0.117 1.00 0.00 H new ATOM 0 HB3 LYS A 17 6.932 5.230 -0.125 1.00 0.00 H new ATOM 0 HG2 LYS A 17 7.948 7.916 -0.961 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.448 7.793 0.715 1.00 0.00 H new ATOM 0 HD2 LYS A 17 9.510 6.910 1.111 1.00 0.00 H new ATOM 0 HD3 LYS A 17 8.897 5.441 0.379 1.00 0.00 H new ATOM 0 HE2 LYS A 17 10.429 5.655 -1.277 1.00 0.00 H new ATOM 0 HE3 LYS A 17 9.633 7.127 -1.799 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 11.951 7.519 -1.284 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 10.962 8.378 -0.204 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 11.733 6.952 0.301 1.00 0.00 H new ATOM 257 N GLY A 18 5.487 3.978 -2.374 1.00 0.00 N ATOM 258 CA GLY A 18 5.366 2.599 -2.816 1.00 0.00 C ATOM 259 C GLY A 18 6.013 1.643 -1.812 1.00 0.00 C ATOM 260 O GLY A 18 5.620 1.601 -0.647 1.00 0.00 O ATOM 0 H GLY A 18 4.662 4.348 -1.902 1.00 0.00 H new ATOM 0 HA2 GLY A 18 4.314 2.344 -2.940 1.00 0.00 H new ATOM 0 HA3 GLY A 18 5.839 2.483 -3.791 1.00 0.00 H new ATOM 264 N ASP A 19 6.993 0.897 -2.300 1.00 0.00 N ATOM 265 CA ASP A 19 7.698 -0.056 -1.460 1.00 0.00 C ATOM 266 C ASP A 19 9.023 -0.434 -2.126 1.00 0.00 C ATOM 267 O ASP A 19 9.149 -1.457 -2.795 1.00 0.00 O ATOM 268 CB ASP A 19 6.881 -1.336 -1.275 1.00 0.00 C ATOM 269 CG ASP A 19 6.333 -1.554 0.137 1.00 0.00 C ATOM 270 OD1 ASP A 19 5.257 -1.048 0.490 1.00 0.00 O ATOM 271 OD2 ASP A 19 7.068 -2.289 0.900 1.00 0.00 O ATOM 0 H ASP A 19 7.316 0.933 -3.267 1.00 0.00 H new ATOM 0 HA ASP A 19 7.865 0.410 -0.489 1.00 0.00 H new ATOM 0 HB2 ASP A 19 6.045 -1.320 -1.975 1.00 0.00 H new ATOM 0 HB3 ASP A 19 7.504 -2.189 -1.542 1.00 0.00 H new ATOM 276 N PRO A 20 10.022 0.429 -1.924 1.00 0.00 N ATOM 277 CA PRO A 20 11.358 0.270 -2.457 1.00 0.00 C ATOM 278 C PRO A 20 12.108 -0.781 -1.650 1.00 0.00 C ATOM 279 O PRO A 20 11.468 -1.539 -0.922 1.00 0.00 O ATOM 280 CB PRO A 20 12.007 1.644 -2.303 1.00 0.00 C ATOM 281 CG PRO A 20 11.308 2.251 -1.155 1.00 0.00 C ATOM 282 CD PRO A 20 9.908 1.641 -1.142 1.00 0.00 C ATOM 0 HA PRO A 20 11.364 -0.062 -3.495 1.00 0.00 H new ATOM 0 HB2 PRO A 20 13.078 1.560 -2.117 1.00 0.00 H new ATOM 0 HB3 PRO A 20 11.886 2.244 -3.205 1.00 0.00 H new ATOM 0 HG2 PRO A 20 11.833 2.041 -0.223 1.00 0.00 H new ATOM 0 HG3 PRO A 20 11.260 3.335 -1.257 1.00 0.00 H new ATOM 0 HD2 PRO A 20 9.581 1.425 -0.125 1.00 0.00 H new ATOM 0 HD3 PRO A 20 9.176 2.323 -1.575 1.00 0.00 H new ATOM 290 N ASP A 21 13.425 -0.809 -1.791 1.00 0.00 N ATOM 291 CA ASP A 21 14.234 -1.775 -1.067 1.00 0.00 C ATOM 292 C ASP A 21 14.157 -3.130 -1.774 1.00 0.00 C ATOM 293 O ASP A 21 14.416 -4.167 -1.165 1.00 0.00 O ATOM 294 CB ASP A 21 13.724 -1.958 0.364 1.00 0.00 C ATOM 295 CG ASP A 21 13.271 -0.673 1.058 1.00 0.00 C ATOM 296 OD1 ASP A 21 14.094 0.177 1.429 1.00 0.00 O ATOM 297 OD2 ASP A 21 11.996 -0.559 1.217 1.00 0.00 O ATOM 0 H ASP A 21 13.952 -0.179 -2.396 1.00 0.00 H new ATOM 0 HA ASP A 21 15.259 -1.404 -1.040 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.889 -2.659 0.349 1.00 0.00 H new ATOM 0 HB3 ASP A 21 14.514 -2.416 0.959 1.00 0.00 H new ATOM 302 N SER A 22 13.800 -3.077 -3.049 1.00 0.00 N ATOM 303 CA SER A 22 13.686 -4.288 -3.844 1.00 0.00 C ATOM 304 C SER A 22 12.335 -4.957 -3.588 1.00 0.00 C ATOM 305 O SER A 22 12.203 -5.767 -2.671 1.00 0.00 O ATOM 306 CB SER A 22 14.827 -5.259 -3.536 1.00 0.00 C ATOM 307 OG SER A 22 15.375 -5.833 -4.719 1.00 0.00 O ATOM 0 H SER A 22 13.586 -2.215 -3.551 1.00 0.00 H new ATOM 0 HA SER A 22 13.754 -4.013 -4.897 1.00 0.00 H new ATOM 0 HB2 SER A 22 15.612 -4.735 -2.991 1.00 0.00 H new ATOM 0 HB3 SER A 22 14.461 -6.052 -2.884 1.00 0.00 H new ATOM 0 HG SER A 22 16.102 -6.445 -4.479 1.00 0.00 H new ATOM 313 N GLY A 23 11.365 -4.594 -4.413 1.00 0.00 N ATOM 314 CA GLY A 23 10.028 -5.150 -4.287 1.00 0.00 C ATOM 315 C GLY A 23 9.011 -4.313 -5.066 1.00 0.00 C ATOM 316 O GLY A 23 8.317 -4.829 -5.941 1.00 0.00 O ATOM 0 H GLY A 23 11.478 -3.922 -5.172 1.00 0.00 H new ATOM 0 HA2 GLY A 23 10.020 -6.175 -4.657 1.00 0.00 H new ATOM 0 HA3 GLY A 23 9.744 -5.188 -3.235 1.00 0.00 H new ATOM 320 N ILE A 24 8.954 -3.036 -4.720 1.00 0.00 N ATOM 321 CA ILE A 24 8.033 -2.123 -5.376 1.00 0.00 C ATOM 322 C ILE A 24 8.787 -0.860 -5.798 1.00 0.00 C ATOM 323 O ILE A 24 9.705 -0.421 -5.106 1.00 0.00 O ATOM 324 CB ILE A 24 6.824 -1.846 -4.480 1.00 0.00 C ATOM 325 CG1 ILE A 24 6.298 -3.139 -3.853 1.00 0.00 C ATOM 326 CG2 ILE A 24 5.733 -1.096 -5.247 1.00 0.00 C ATOM 327 CD1 ILE A 24 5.675 -4.049 -4.914 1.00 0.00 C ATOM 0 H ILE A 24 9.531 -2.611 -3.994 1.00 0.00 H new ATOM 0 HA ILE A 24 7.632 -2.574 -6.284 1.00 0.00 H new ATOM 0 HB ILE A 24 7.146 -1.200 -3.663 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.113 -3.662 -3.353 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.556 -2.902 -3.091 1.00 0.00 H new ATOM 0 HG21 ILE A 24 4.885 -0.912 -4.587 1.00 0.00 H new ATOM 0 HG22 ILE A 24 6.128 -0.145 -5.604 1.00 0.00 H new ATOM 0 HG23 ILE A 24 5.408 -1.696 -6.097 1.00 0.00 H new ATOM 0 HD11 ILE A 24 5.309 -4.961 -4.442 1.00 0.00 H new ATOM 0 HD12 ILE A 24 4.845 -3.531 -5.395 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.426 -4.304 -5.661 1.00 0.00 H new ATOM 339 N LYS A 25 8.372 -0.313 -6.930 1.00 0.00 N ATOM 340 CA LYS A 25 8.997 0.891 -7.453 1.00 0.00 C ATOM 341 C LYS A 25 8.253 2.118 -6.924 1.00 0.00 C ATOM 342 O LYS A 25 7.054 2.089 -6.656 1.00 0.00 O ATOM 343 CB LYS A 25 9.080 0.832 -8.980 1.00 0.00 C ATOM 344 CG LYS A 25 10.507 0.532 -9.441 1.00 0.00 C ATOM 345 CD LYS A 25 10.757 -0.976 -9.505 1.00 0.00 C ATOM 346 CE LYS A 25 11.338 -1.493 -8.188 1.00 0.00 C ATOM 347 NZ LYS A 25 12.252 -2.631 -8.436 1.00 0.00 N ATOM 0 H LYS A 25 7.611 -0.681 -7.500 1.00 0.00 H new ATOM 0 HA LYS A 25 10.027 0.968 -7.104 1.00 0.00 H new ATOM 0 HB2 LYS A 25 8.404 0.064 -9.355 1.00 0.00 H new ATOM 0 HB3 LYS A 25 8.750 1.781 -9.403 1.00 0.00 H new ATOM 0 HG2 LYS A 25 10.676 0.974 -10.423 1.00 0.00 H new ATOM 0 HG3 LYS A 25 11.219 0.993 -8.756 1.00 0.00 H new ATOM 0 HD2 LYS A 25 9.823 -1.494 -9.722 1.00 0.00 H new ATOM 0 HD3 LYS A 25 11.443 -1.200 -10.322 1.00 0.00 H new ATOM 0 HE2 LYS A 25 11.875 -0.691 -7.681 1.00 0.00 H new ATOM 0 HE3 LYS A 25 10.531 -1.805 -7.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 12.638 -2.970 -7.532 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 11.729 -3.401 -8.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 13.032 -2.322 -9.051 1.00 0.00 H new ATOM 358 N PRO A 26 9.002 3.213 -6.777 1.00 0.00 N ATOM 359 CA PRO A 26 8.505 4.483 -6.294 1.00 0.00 C ATOM 360 C PRO A 26 7.446 5.013 -7.249 1.00 0.00 C ATOM 361 O PRO A 26 7.781 5.332 -8.389 1.00 0.00 O ATOM 362 CB PRO A 26 9.728 5.398 -6.269 1.00 0.00 C ATOM 363 CG PRO A 26 10.719 4.773 -7.205 1.00 0.00 C ATOM 364 CD PRO A 26 10.415 3.282 -7.082 1.00 0.00 C ATOM 0 HA PRO A 26 8.039 4.411 -5.311 1.00 0.00 H new ATOM 0 HB2 PRO A 26 9.469 6.407 -6.589 1.00 0.00 H new ATOM 0 HB3 PRO A 26 10.137 5.478 -5.262 1.00 0.00 H new ATOM 0 HG2 PRO A 26 10.588 5.128 -8.227 1.00 0.00 H new ATOM 0 HG3 PRO A 26 11.745 5.001 -6.917 1.00 0.00 H new ATOM 0 HD2 PRO A 26 10.645 2.754 -8.008 1.00 0.00 H new ATOM 0 HD3 PRO A 26 11.012 2.821 -6.295 1.00 0.00 H new ATOM 372 N GLY A 27 6.210 5.096 -6.780 1.00 0.00 N ATOM 373 CA GLY A 27 5.124 5.588 -7.611 1.00 0.00 C ATOM 374 C GLY A 27 4.353 4.429 -8.247 1.00 0.00 C ATOM 375 O GLY A 27 4.293 4.317 -9.471 1.00 0.00 O ATOM 0 H GLY A 27 5.936 4.831 -5.834 1.00 0.00 H new ATOM 0 HA2 GLY A 27 4.446 6.194 -7.009 1.00 0.00 H new ATOM 0 HA3 GLY A 27 5.523 6.236 -8.391 1.00 0.00 H new ATOM 379 N THR A 28 3.783 3.597 -7.388 1.00 0.00 N ATOM 380 CA THR A 28 3.018 2.452 -7.851 1.00 0.00 C ATOM 381 C THR A 28 1.578 2.531 -7.341 1.00 0.00 C ATOM 382 O THR A 28 1.343 2.889 -6.188 1.00 0.00 O ATOM 383 CB THR A 28 3.751 1.184 -7.408 1.00 0.00 C ATOM 384 OG1 THR A 28 5.023 1.278 -8.044 1.00 0.00 O ATOM 385 CG2 THR A 28 3.133 -0.086 -7.997 1.00 0.00 C ATOM 0 H THR A 28 3.836 3.693 -6.374 1.00 0.00 H new ATOM 0 HA THR A 28 2.944 2.439 -8.938 1.00 0.00 H new ATOM 0 HB THR A 28 3.742 1.121 -6.320 1.00 0.00 H new ATOM 0 HG1 THR A 28 5.715 1.442 -7.369 1.00 0.00 H new ATOM 0 HG21 THR A 28 3.691 -0.956 -7.651 1.00 0.00 H new ATOM 0 HG22 THR A 28 2.095 -0.169 -7.675 1.00 0.00 H new ATOM 0 HG23 THR A 28 3.172 -0.039 -9.085 1.00 0.00 H new ATOM 393 N LYS A 29 0.652 2.191 -8.225 1.00 0.00 N ATOM 394 CA LYS A 29 -0.759 2.218 -7.879 1.00 0.00 C ATOM 395 C LYS A 29 -1.077 1.041 -6.955 1.00 0.00 C ATOM 396 O LYS A 29 -0.446 -0.011 -7.046 1.00 0.00 O ATOM 397 CB LYS A 29 -1.620 2.258 -9.143 1.00 0.00 C ATOM 398 CG LYS A 29 -1.610 3.654 -9.770 1.00 0.00 C ATOM 399 CD LYS A 29 -1.536 3.569 -11.296 1.00 0.00 C ATOM 400 CE LYS A 29 -2.406 4.645 -11.948 1.00 0.00 C ATOM 401 NZ LYS A 29 -1.561 5.648 -12.634 1.00 0.00 N ATOM 0 H LYS A 29 0.851 1.895 -9.181 1.00 0.00 H new ATOM 0 HA LYS A 29 -0.998 3.128 -7.329 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -1.248 1.529 -9.863 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -2.643 1.972 -8.899 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -2.509 4.195 -9.476 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -0.759 4.220 -9.392 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -0.502 3.686 -11.621 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -1.863 2.583 -11.625 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -3.089 4.186 -12.663 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -3.019 5.134 -11.191 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -2.167 6.371 -13.071 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.927 6.099 -11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -0.995 5.180 -13.370 1.00 0.00 H new ATOM 412 N PHE A 30 -2.054 1.258 -6.088 1.00 0.00 N ATOM 413 CA PHE A 30 -2.463 0.227 -5.148 1.00 0.00 C ATOM 414 C PHE A 30 -3.269 -0.867 -5.851 1.00 0.00 C ATOM 415 O PHE A 30 -3.688 -1.836 -5.220 1.00 0.00 O ATOM 416 CB PHE A 30 -3.349 0.904 -4.101 1.00 0.00 C ATOM 417 CG PHE A 30 -3.799 -0.027 -2.972 1.00 0.00 C ATOM 418 CD1 PHE A 30 -2.958 -0.298 -1.938 1.00 0.00 C ATOM 419 CD2 PHE A 30 -5.040 -0.582 -3.002 1.00 0.00 C ATOM 420 CE1 PHE A 30 -3.375 -1.161 -0.891 1.00 0.00 C ATOM 421 CE2 PHE A 30 -5.458 -1.445 -1.955 1.00 0.00 C ATOM 422 CZ PHE A 30 -4.616 -1.717 -0.922 1.00 0.00 C ATOM 0 H PHE A 30 -2.575 2.132 -6.016 1.00 0.00 H new ATOM 0 HA PHE A 30 -1.585 -0.238 -4.699 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.807 1.746 -3.670 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.231 1.312 -4.595 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.973 0.144 -1.914 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -5.708 -0.366 -3.823 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.707 -1.376 -0.070 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -6.444 -1.885 -1.979 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.933 -2.375 -0.126 1.00 0.00 H new ATOM 432 N GLU A 31 -3.461 -0.676 -7.148 1.00 0.00 N ATOM 433 CA GLU A 31 -4.209 -1.635 -7.943 1.00 0.00 C ATOM 434 C GLU A 31 -3.258 -2.454 -8.819 1.00 0.00 C ATOM 435 O GLU A 31 -3.604 -3.549 -9.260 1.00 0.00 O ATOM 436 CB GLU A 31 -5.270 -0.933 -8.793 1.00 0.00 C ATOM 437 CG GLU A 31 -6.610 -1.666 -8.711 1.00 0.00 C ATOM 438 CD GLU A 31 -7.715 -0.734 -8.209 1.00 0.00 C ATOM 439 OE1 GLU A 31 -7.821 0.410 -8.675 1.00 0.00 O ATOM 440 OE2 GLU A 31 -8.481 -1.237 -7.301 1.00 0.00 O ATOM 0 H GLU A 31 -3.111 0.129 -7.668 1.00 0.00 H new ATOM 0 HA GLU A 31 -4.725 -2.316 -7.266 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.392 0.095 -8.452 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -4.939 -0.888 -9.830 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -6.876 -2.055 -9.694 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -6.520 -2.522 -8.043 1.00 0.00 H new ATOM 447 N ASP A 32 -2.080 -1.892 -9.044 1.00 0.00 N ATOM 448 CA ASP A 32 -1.077 -2.556 -9.859 1.00 0.00 C ATOM 449 C ASP A 32 -0.196 -3.430 -8.965 1.00 0.00 C ATOM 450 O ASP A 32 0.645 -4.180 -9.458 1.00 0.00 O ATOM 451 CB ASP A 32 -0.176 -1.539 -10.562 1.00 0.00 C ATOM 452 CG ASP A 32 -0.894 -0.605 -11.539 1.00 0.00 C ATOM 453 OD1 ASP A 32 -2.132 -0.586 -11.611 1.00 0.00 O ATOM 454 OD2 ASP A 32 -0.118 0.134 -12.257 1.00 0.00 O ATOM 0 H ASP A 32 -1.797 -0.984 -8.676 1.00 0.00 H new ATOM 0 HA ASP A 32 -1.595 -3.156 -10.607 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.323 -0.934 -9.805 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.602 -2.078 -11.103 1.00 0.00 H new ATOM 459 N LEU A 33 -0.419 -3.304 -7.665 1.00 0.00 N ATOM 460 CA LEU A 33 0.344 -4.073 -6.696 1.00 0.00 C ATOM 461 C LEU A 33 0.418 -5.531 -7.154 1.00 0.00 C ATOM 462 O LEU A 33 -0.484 -6.059 -7.800 1.00 0.00 O ATOM 463 CB LEU A 33 -0.239 -3.897 -5.293 1.00 0.00 C ATOM 464 CG LEU A 33 0.101 -2.584 -4.585 1.00 0.00 C ATOM 465 CD1 LEU A 33 -0.861 -2.322 -3.424 1.00 0.00 C ATOM 466 CD2 LEU A 33 1.562 -2.568 -4.132 1.00 0.00 C ATOM 0 H LEU A 33 -1.117 -2.681 -7.260 1.00 0.00 H new ATOM 0 HA LEU A 33 1.368 -3.704 -6.638 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -1.324 -3.981 -5.359 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.107 -4.722 -4.671 1.00 0.00 H new ATOM 0 HG LEU A 33 -0.025 -1.769 -5.298 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.597 -1.383 -2.938 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -1.881 -2.260 -3.803 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -0.791 -3.136 -2.703 1.00 0.00 H new ATOM 0 HD21 LEU A 33 1.778 -1.624 -3.632 1.00 0.00 H new ATOM 0 HD22 LEU A 33 1.738 -3.393 -3.442 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.213 -2.676 -4.999 1.00 0.00 H new ATOM 478 N PRO A 34 1.530 -6.178 -6.798 1.00 0.00 N ATOM 479 CA PRO A 34 1.809 -7.561 -7.122 1.00 0.00 C ATOM 480 C PRO A 34 0.594 -8.417 -6.793 1.00 0.00 C ATOM 481 O PRO A 34 0.496 -9.531 -7.305 1.00 0.00 O ATOM 482 CB PRO A 34 2.998 -7.937 -6.241 1.00 0.00 C ATOM 483 CG PRO A 34 3.686 -6.671 -5.975 1.00 0.00 C ATOM 484 CD PRO A 34 2.611 -5.588 -6.038 1.00 0.00 C ATOM 0 HA PRO A 34 2.029 -7.714 -8.179 1.00 0.00 H new ATOM 0 HB2 PRO A 34 2.670 -8.410 -5.316 1.00 0.00 H new ATOM 0 HB3 PRO A 34 3.655 -8.645 -6.746 1.00 0.00 H new ATOM 0 HG2 PRO A 34 4.168 -6.686 -4.997 1.00 0.00 H new ATOM 0 HG3 PRO A 34 4.467 -6.489 -6.713 1.00 0.00 H new ATOM 0 HD2 PRO A 34 2.281 -5.301 -5.040 1.00 0.00 H new ATOM 0 HD3 PRO A 34 2.987 -4.686 -6.521 1.00 0.00 H new ATOM 492 N ASP A 35 -0.294 -7.893 -5.960 1.00 0.00 N ATOM 493 CA ASP A 35 -1.488 -8.628 -5.580 1.00 0.00 C ATOM 494 C ASP A 35 -1.178 -9.502 -4.363 1.00 0.00 C ATOM 495 O ASP A 35 -1.949 -9.536 -3.406 1.00 0.00 O ATOM 496 CB ASP A 35 -1.955 -9.544 -6.713 1.00 0.00 C ATOM 497 CG ASP A 35 -1.869 -8.934 -8.114 1.00 0.00 C ATOM 498 OD1 ASP A 35 -2.233 -7.768 -8.327 1.00 0.00 O ATOM 499 OD2 ASP A 35 -1.399 -9.720 -9.022 1.00 0.00 O ATOM 0 H ASP A 35 -0.210 -6.968 -5.538 1.00 0.00 H new ATOM 0 HA ASP A 35 -2.272 -7.905 -5.355 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -1.358 -10.456 -6.693 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -2.988 -9.835 -6.522 1.00 0.00 H new ATOM 504 N ASP A 36 -0.047 -10.188 -4.440 1.00 0.00 N ATOM 505 CA ASP A 36 0.375 -11.060 -3.357 1.00 0.00 C ATOM 506 C ASP A 36 0.906 -10.210 -2.201 1.00 0.00 C ATOM 507 O ASP A 36 1.268 -10.740 -1.152 1.00 0.00 O ATOM 508 CB ASP A 36 1.496 -11.998 -3.809 1.00 0.00 C ATOM 509 CG ASP A 36 1.841 -13.116 -2.824 1.00 0.00 C ATOM 510 OD1 ASP A 36 1.018 -14.001 -2.548 1.00 0.00 O ATOM 511 OD2 ASP A 36 3.029 -13.053 -2.323 1.00 0.00 O ATOM 0 H ASP A 36 0.590 -10.158 -5.236 1.00 0.00 H new ATOM 0 HA ASP A 36 -0.486 -11.652 -3.046 1.00 0.00 H new ATOM 0 HB2 ASP A 36 1.211 -12.448 -4.760 1.00 0.00 H new ATOM 0 HB3 ASP A 36 2.393 -11.406 -3.992 1.00 0.00 H new ATOM 516 N TRP A 37 0.937 -8.906 -2.433 1.00 0.00 N ATOM 517 CA TRP A 37 1.418 -7.978 -1.425 1.00 0.00 C ATOM 518 C TRP A 37 0.420 -7.980 -0.265 1.00 0.00 C ATOM 519 O TRP A 37 -0.789 -8.034 -0.483 1.00 0.00 O ATOM 520 CB TRP A 37 1.639 -6.586 -2.021 1.00 0.00 C ATOM 521 CG TRP A 37 2.266 -5.585 -1.049 1.00 0.00 C ATOM 522 CD1 TRP A 37 3.566 -5.311 -0.871 1.00 0.00 C ATOM 523 CD2 TRP A 37 1.564 -4.730 -0.122 1.00 0.00 C ATOM 524 NE1 TRP A 37 3.752 -4.347 0.098 1.00 0.00 N ATOM 525 CE2 TRP A 37 2.496 -3.982 0.568 1.00 0.00 C ATOM 526 CE3 TRP A 37 0.187 -4.593 0.124 1.00 0.00 C ATOM 527 CZ2 TRP A 37 2.152 -3.045 1.550 1.00 0.00 C ATOM 528 CZ3 TRP A 37 -0.141 -3.653 1.109 1.00 0.00 C ATOM 529 CH2 TRP A 37 0.785 -2.892 1.812 1.00 0.00 C ATOM 0 H TRP A 37 0.637 -8.470 -3.305 1.00 0.00 H new ATOM 0 HA TRP A 37 2.392 -8.290 -1.047 1.00 0.00 H new ATOM 0 HB2 TRP A 37 2.280 -6.675 -2.898 1.00 0.00 H new ATOM 0 HB3 TRP A 37 0.682 -6.193 -2.364 1.00 0.00 H new ATOM 0 HD1 TRP A 37 4.367 -5.786 -1.418 1.00 0.00 H new ATOM 0 HE1 TRP A 37 4.647 -3.971 0.412 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -0.559 -5.167 -0.405 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.900 -2.471 2.077 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -1.187 -3.510 1.338 1.00 0.00 H new ATOM 0 HH2 TRP A 37 0.452 -2.185 2.558 1.00 0.00 H new ATOM 540 N ALA A 38 0.964 -7.921 0.942 1.00 0.00 N ATOM 541 CA ALA A 38 0.136 -7.916 2.136 1.00 0.00 C ATOM 542 C ALA A 38 0.788 -7.031 3.200 1.00 0.00 C ATOM 543 O ALA A 38 2.004 -6.845 3.197 1.00 0.00 O ATOM 544 CB ALA A 38 -0.072 -9.352 2.620 1.00 0.00 C ATOM 0 H ALA A 38 1.968 -7.876 1.119 1.00 0.00 H new ATOM 0 HA ALA A 38 -0.848 -7.500 1.918 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -0.693 -9.348 3.516 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -0.565 -9.931 1.839 1.00 0.00 H new ATOM 0 HB3 ALA A 38 0.894 -9.802 2.850 1.00 0.00 H new ATOM 550 N CYS A 39 -0.049 -6.509 4.085 1.00 0.00 N ATOM 551 CA CYS A 39 0.432 -5.649 5.152 1.00 0.00 C ATOM 552 C CYS A 39 1.670 -6.299 5.773 1.00 0.00 C ATOM 553 O CYS A 39 1.588 -7.236 6.563 1.00 0.00 O ATOM 554 CB CYS A 39 -0.655 -5.380 6.195 1.00 0.00 C ATOM 555 SG CYS A 39 -0.168 -4.231 7.533 1.00 0.00 S ATOM 0 H CYS A 39 -1.057 -6.665 4.085 1.00 0.00 H new ATOM 0 HA CYS A 39 0.701 -4.675 4.743 1.00 0.00 H new ATOM 0 HB2 CYS A 39 -1.532 -4.976 5.689 1.00 0.00 H new ATOM 0 HB3 CYS A 39 -0.954 -6.329 6.641 1.00 0.00 H new ATOM 0 HG CYS A 39 -0.811 -3.109 7.397 1.00 0.00 H new ATOM 560 N PRO A 40 2.836 -5.771 5.391 1.00 0.00 N ATOM 561 CA PRO A 40 4.128 -6.228 5.853 1.00 0.00 C ATOM 562 C PRO A 40 4.293 -5.887 7.327 1.00 0.00 C ATOM 563 O PRO A 40 5.313 -6.251 7.910 1.00 0.00 O ATOM 564 CB PRO A 40 5.141 -5.468 4.998 1.00 0.00 C ATOM 565 CG PRO A 40 4.364 -4.823 3.865 1.00 0.00 C ATOM 566 CD PRO A 40 2.968 -4.669 4.463 1.00 0.00 C ATOM 0 HA PRO A 40 4.255 -7.307 5.760 1.00 0.00 H new ATOM 0 HB2 PRO A 40 5.658 -4.713 5.591 1.00 0.00 H new ATOM 0 HB3 PRO A 40 5.902 -6.144 4.609 1.00 0.00 H new ATOM 0 HG2 PRO A 40 4.790 -3.862 3.577 1.00 0.00 H new ATOM 0 HG3 PRO A 40 4.356 -5.448 2.972 1.00 0.00 H new ATOM 0 HD2 PRO A 40 2.859 -3.710 4.970 1.00 0.00 H new ATOM 0 HD3 PRO A 40 2.201 -4.710 3.690 1.00 0.00 H new ATOM 574 N VAL A 41 3.308 -5.205 7.893 1.00 0.00 N ATOM 575 CA VAL A 41 3.368 -4.828 9.295 1.00 0.00 C ATOM 576 C VAL A 41 2.774 -5.951 10.146 1.00 0.00 C ATOM 577 O VAL A 41 3.493 -6.620 10.887 1.00 0.00 O ATOM 578 CB VAL A 41 2.667 -3.484 9.505 1.00 0.00 C ATOM 579 CG1 VAL A 41 2.798 -3.019 10.957 1.00 0.00 C ATOM 580 CG2 VAL A 41 3.208 -2.427 8.540 1.00 0.00 C ATOM 0 H VAL A 41 2.464 -4.904 7.406 1.00 0.00 H new ATOM 0 HA VAL A 41 4.402 -4.693 9.611 1.00 0.00 H new ATOM 0 HB VAL A 41 1.607 -3.622 9.291 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.291 -2.062 11.080 1.00 0.00 H new ATOM 0 HG12 VAL A 41 2.344 -3.757 11.618 1.00 0.00 H new ATOM 0 HG13 VAL A 41 3.852 -2.906 11.209 1.00 0.00 H new ATOM 0 HG21 VAL A 41 2.693 -1.481 8.710 1.00 0.00 H new ATOM 0 HG22 VAL A 41 4.277 -2.294 8.708 1.00 0.00 H new ATOM 0 HG23 VAL A 41 3.040 -2.752 7.513 1.00 0.00 H new ATOM 590 N CYS A 42 1.467 -6.124 10.012 1.00 0.00 N ATOM 591 CA CYS A 42 0.768 -7.155 10.761 1.00 0.00 C ATOM 592 C CYS A 42 0.636 -8.391 9.868 1.00 0.00 C ATOM 593 O CYS A 42 0.866 -9.513 10.317 1.00 0.00 O ATOM 594 CB CYS A 42 -0.592 -6.666 11.263 1.00 0.00 C ATOM 595 SG CYS A 42 -1.769 -6.186 9.946 1.00 0.00 S ATOM 0 H CYS A 42 0.874 -5.568 9.396 1.00 0.00 H new ATOM 0 HA CYS A 42 1.340 -7.411 11.653 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -1.045 -7.452 11.867 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -0.435 -5.811 11.920 1.00 0.00 H new ATOM 0 HG CYS A 42 -1.156 -5.459 9.060 1.00 0.00 H new ATOM 600 N GLY A 43 0.267 -8.143 8.620 1.00 0.00 N ATOM 601 CA GLY A 43 0.102 -9.222 7.660 1.00 0.00 C ATOM 602 C GLY A 43 -1.192 -9.052 6.862 1.00 0.00 C ATOM 603 O GLY A 43 -1.258 -9.427 5.692 1.00 0.00 O ATOM 0 H GLY A 43 0.078 -7.211 8.251 1.00 0.00 H new ATOM 0 HA2 GLY A 43 0.953 -9.242 6.980 1.00 0.00 H new ATOM 0 HA3 GLY A 43 0.089 -10.179 8.182 1.00 0.00 H new ATOM 607 N ALA A 44 -2.190 -8.488 7.527 1.00 0.00 N ATOM 608 CA ALA A 44 -3.479 -8.264 6.894 1.00 0.00 C ATOM 609 C ALA A 44 -3.294 -8.208 5.376 1.00 0.00 C ATOM 610 O ALA A 44 -2.410 -7.512 4.880 1.00 0.00 O ATOM 611 CB ALA A 44 -4.107 -6.986 7.453 1.00 0.00 C ATOM 0 H ALA A 44 -2.132 -8.180 8.498 1.00 0.00 H new ATOM 0 HA ALA A 44 -4.162 -9.085 7.112 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -5.074 -6.818 6.978 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -4.244 -7.089 8.529 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -3.451 -6.139 7.250 1.00 0.00 H new ATOM 617 N SER A 45 -4.143 -8.951 4.681 1.00 0.00 N ATOM 618 CA SER A 45 -4.084 -8.995 3.230 1.00 0.00 C ATOM 619 C SER A 45 -4.137 -7.575 2.661 1.00 0.00 C ATOM 620 O SER A 45 -4.056 -6.600 3.407 1.00 0.00 O ATOM 621 CB SER A 45 -5.225 -9.839 2.658 1.00 0.00 C ATOM 622 OG SER A 45 -4.844 -10.510 1.460 1.00 0.00 O ATOM 0 H SER A 45 -4.875 -9.527 5.096 1.00 0.00 H new ATOM 0 HA SER A 45 -3.142 -9.461 2.940 1.00 0.00 H new ATOM 0 HB2 SER A 45 -5.540 -10.573 3.400 1.00 0.00 H new ATOM 0 HB3 SER A 45 -6.084 -9.199 2.457 1.00 0.00 H new ATOM 0 HG SER A 45 -5.599 -11.039 1.127 1.00 0.00 H new ATOM 628 N LYS A 46 -4.273 -7.504 1.345 1.00 0.00 N ATOM 629 CA LYS A 46 -4.338 -6.220 0.668 1.00 0.00 C ATOM 630 C LYS A 46 -5.796 -5.762 0.590 1.00 0.00 C ATOM 631 O LYS A 46 -6.160 -4.985 -0.291 1.00 0.00 O ATOM 632 CB LYS A 46 -3.644 -6.297 -0.694 1.00 0.00 C ATOM 633 CG LYS A 46 -3.483 -4.904 -1.306 1.00 0.00 C ATOM 634 CD LYS A 46 -2.562 -4.946 -2.527 1.00 0.00 C ATOM 635 CE LYS A 46 -2.809 -6.207 -3.358 1.00 0.00 C ATOM 636 NZ LYS A 46 -4.231 -6.293 -3.757 1.00 0.00 N ATOM 0 H LYS A 46 -4.340 -8.315 0.730 1.00 0.00 H new ATOM 0 HA LYS A 46 -3.796 -5.463 1.234 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.666 -6.764 -0.582 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -4.224 -6.929 -1.367 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -4.459 -4.515 -1.595 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -3.075 -4.220 -0.561 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -2.728 -4.062 -3.143 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -1.522 -4.918 -2.203 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -2.176 -6.195 -4.245 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -2.533 -7.090 -2.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -4.646 -7.167 -3.376 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -4.747 -5.472 -3.381 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -4.301 -6.300 -4.795 1.00 0.00 H new ATOM 647 N ASP A 47 -6.591 -6.264 1.524 1.00 0.00 N ATOM 648 CA ASP A 47 -8.001 -5.916 1.572 1.00 0.00 C ATOM 649 C ASP A 47 -8.311 -5.250 2.914 1.00 0.00 C ATOM 650 O ASP A 47 -9.424 -4.772 3.131 1.00 0.00 O ATOM 651 CB ASP A 47 -8.880 -7.162 1.448 1.00 0.00 C ATOM 652 CG ASP A 47 -10.263 -6.920 0.841 1.00 0.00 C ATOM 653 OD1 ASP A 47 -11.224 -6.592 1.553 1.00 0.00 O ATOM 654 OD2 ASP A 47 -10.334 -7.083 -0.436 1.00 0.00 O ATOM 0 H ASP A 47 -6.286 -6.909 2.253 1.00 0.00 H new ATOM 0 HA ASP A 47 -8.211 -5.242 0.741 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.356 -7.898 0.839 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -9.006 -7.599 2.438 1.00 0.00 H new ATOM 659 N ALA A 48 -7.309 -5.239 3.780 1.00 0.00 N ATOM 660 CA ALA A 48 -7.461 -4.640 5.094 1.00 0.00 C ATOM 661 C ALA A 48 -7.045 -3.168 5.030 1.00 0.00 C ATOM 662 O ALA A 48 -6.703 -2.571 6.050 1.00 0.00 O ATOM 663 CB ALA A 48 -6.643 -5.433 6.115 1.00 0.00 C ATOM 0 H ALA A 48 -6.387 -5.636 3.597 1.00 0.00 H new ATOM 0 HA ALA A 48 -8.503 -4.675 5.413 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -6.757 -4.983 7.101 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.997 -6.464 6.143 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -5.591 -5.418 5.829 1.00 0.00 H new ATOM 669 N PHE A 49 -7.088 -2.627 3.822 1.00 0.00 N ATOM 670 CA PHE A 49 -6.720 -1.237 3.612 1.00 0.00 C ATOM 671 C PHE A 49 -7.882 -0.448 3.005 1.00 0.00 C ATOM 672 O PHE A 49 -8.708 -1.007 2.285 1.00 0.00 O ATOM 673 CB PHE A 49 -5.546 -1.229 2.630 1.00 0.00 C ATOM 674 CG PHE A 49 -4.202 -1.591 3.265 1.00 0.00 C ATOM 675 CD1 PHE A 49 -3.813 -2.892 3.339 1.00 0.00 C ATOM 676 CD2 PHE A 49 -3.395 -0.611 3.754 1.00 0.00 C ATOM 677 CE1 PHE A 49 -2.565 -3.227 3.928 1.00 0.00 C ATOM 678 CE2 PHE A 49 -2.148 -0.947 4.343 1.00 0.00 C ATOM 679 CZ PHE A 49 -1.759 -2.248 4.418 1.00 0.00 C ATOM 0 H PHE A 49 -7.372 -3.126 2.979 1.00 0.00 H new ATOM 0 HA PHE A 49 -6.459 -0.773 4.563 1.00 0.00 H new ATOM 0 HB2 PHE A 49 -5.756 -1.931 1.823 1.00 0.00 H new ATOM 0 HB3 PHE A 49 -5.469 -0.239 2.180 1.00 0.00 H new ATOM 0 HD1 PHE A 49 -4.453 -3.670 2.950 1.00 0.00 H new ATOM 0 HD2 PHE A 49 -3.703 0.422 3.694 1.00 0.00 H new ATOM 0 HE1 PHE A 49 -2.256 -4.260 3.987 1.00 0.00 H new ATOM 0 HE2 PHE A 49 -1.508 -0.169 4.732 1.00 0.00 H new ATOM 0 HZ PHE A 49 -0.810 -2.503 4.867 1.00 0.00 H new ATOM 689 N GLU A 50 -7.908 0.839 3.318 1.00 0.00 N ATOM 690 CA GLU A 50 -8.955 1.711 2.813 1.00 0.00 C ATOM 691 C GLU A 50 -8.469 3.161 2.780 1.00 0.00 C ATOM 692 O GLU A 50 -7.879 3.644 3.746 1.00 0.00 O ATOM 693 CB GLU A 50 -10.229 1.579 3.650 1.00 0.00 C ATOM 694 CG GLU A 50 -11.110 2.823 3.508 1.00 0.00 C ATOM 695 CD GLU A 50 -12.575 2.493 3.797 1.00 0.00 C ATOM 696 OE1 GLU A 50 -13.310 2.083 2.886 1.00 0.00 O ATOM 697 OE2 GLU A 50 -12.944 2.674 5.020 1.00 0.00 O ATOM 0 H GLU A 50 -7.221 1.299 3.915 1.00 0.00 H new ATOM 0 HA GLU A 50 -9.195 1.406 1.794 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -10.786 0.697 3.335 1.00 0.00 H new ATOM 0 HB3 GLU A 50 -9.967 1.433 4.698 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -10.766 3.597 4.194 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -11.016 3.226 2.500 1.00 0.00 H new ATOM 704 N LYS A 51 -8.734 3.816 1.659 1.00 0.00 N ATOM 705 CA LYS A 51 -8.330 5.201 1.488 1.00 0.00 C ATOM 706 C LYS A 51 -8.556 5.959 2.798 1.00 0.00 C ATOM 707 O LYS A 51 -9.688 6.312 3.127 1.00 0.00 O ATOM 708 CB LYS A 51 -9.045 5.823 0.286 1.00 0.00 C ATOM 709 CG LYS A 51 -10.562 5.819 0.488 1.00 0.00 C ATOM 710 CD LYS A 51 -11.293 5.945 -0.849 1.00 0.00 C ATOM 711 CE LYS A 51 -11.939 4.616 -1.248 1.00 0.00 C ATOM 712 NZ LYS A 51 -13.199 4.853 -1.987 1.00 0.00 N ATOM 0 H LYS A 51 -9.224 3.413 0.860 1.00 0.00 H new ATOM 0 HA LYS A 51 -7.265 5.263 1.263 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -8.697 6.846 0.140 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -8.793 5.269 -0.618 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -10.864 4.898 0.986 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -10.848 6.643 1.142 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -12.058 6.718 -0.778 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -10.592 6.260 -1.622 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -11.250 4.041 -1.867 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -12.139 4.021 -0.357 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -13.624 3.941 -2.250 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -13.861 5.382 -1.384 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -12.999 5.403 -2.847 1.00 0.00 H new ATOM 723 N GLN A 52 -7.462 6.187 3.509 1.00 0.00 N ATOM 724 CA GLN A 52 -7.526 6.897 4.775 1.00 0.00 C ATOM 725 C GLN A 52 -8.602 6.283 5.673 1.00 0.00 C ATOM 726 O GLN A 52 -9.103 6.939 6.585 1.00 0.00 O ATOM 727 CB GLN A 52 -7.782 8.389 4.554 1.00 0.00 C ATOM 728 CG GLN A 52 -6.534 9.085 4.007 1.00 0.00 C ATOM 729 CD GLN A 52 -6.792 10.576 3.781 1.00 0.00 C ATOM 730 OE1 GLN A 52 -7.914 11.052 3.826 1.00 0.00 O ATOM 731 NE2 GLN A 52 -5.693 11.283 3.535 1.00 0.00 N ATOM 732 OXT GLN A 52 -8.936 5.103 5.433 1.00 0.00 O ATOM 0 H GLN A 52 -6.525 5.892 3.232 1.00 0.00 H new ATOM 0 HA GLN A 52 -6.563 6.798 5.275 1.00 0.00 H new ATOM 0 HB2 GLN A 52 -8.610 8.520 3.858 1.00 0.00 H new ATOM 0 HB3 GLN A 52 -8.079 8.854 5.494 1.00 0.00 H new ATOM 0 HG2 GLN A 52 -5.707 8.957 4.705 1.00 0.00 H new ATOM 0 HG3 GLN A 52 -6.235 8.618 3.069 1.00 0.00 H new ATOM 0 HE21 GLN A 52 -4.784 10.821 3.512 1.00 0.00 H new ATOM 0 HE22 GLN A 52 -5.759 12.287 3.370 1.00 0.00 H new TER 741 GLN A 52