USER MOD reduce.3.24.130724 H: found=0, std=0, add=499, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 498 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 1 ALA N :NH3+ 170:sc= -0.2 (180deg=-0.292) USER MOD Single : A 2 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot -60:sc= 0.073 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0431 USER MOD Single : A 16 THR OG1 : rot 77:sc= 0.376 USER MOD Single : A 18 GLN : amide:sc=-0.000803 K(o=-0.0008,f=-1) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 33 SER OG : rot 110:sc= 1.42 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot -68:sc= 1.29 USER MOD Single : A 59 TYR OH : rot 15:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.746 19.616 9.029 1.00 25.00 N ATOM 2 CA ALA A 1 -5.511 19.577 10.499 1.00 25.00 C ATOM 3 C ALA A 1 -5.510 18.179 11.092 1.00 25.00 C ATOM 4 O ALA A 1 -5.637 17.928 12.273 1.00 25.00 O ATOM 5 CB ALA A 1 -6.572 20.455 11.181 1.00 25.00 C ATOM 0 H1 ALA A 1 -5.901 20.599 8.728 1.00 25.00 H new ATOM 0 H2 ALA A 1 -4.917 19.229 8.535 1.00 25.00 H new ATOM 0 H3 ALA A 1 -6.585 19.047 8.796 1.00 25.00 H new ATOM 0 HA ALA A 1 -4.507 19.960 10.680 1.00 25.00 H new ATOM 0 HB1 ALA A 1 -6.418 20.440 12.260 1.00 25.00 H new ATOM 0 HB2 ALA A 1 -6.487 21.479 10.816 1.00 25.00 H new ATOM 0 HB3 ALA A 1 -7.565 20.070 10.951 1.00 25.00 H new ATOM 10 N TYR A 2 -5.387 17.232 10.174 1.00 25.00 N ATOM 11 CA TYR A 2 -5.378 15.812 10.515 1.00 25.00 C ATOM 12 C TYR A 2 -4.029 15.406 11.129 1.00 25.00 C ATOM 13 O TYR A 2 -3.093 16.203 11.191 1.00 25.00 O ATOM 14 CB TYR A 2 -5.699 14.962 9.278 1.00 25.00 C ATOM 15 CG TYR A 2 -6.261 13.593 9.646 1.00 25.00 C ATOM 16 CD1 TYR A 2 -5.490 12.425 9.483 1.00 25.00 C ATOM 17 CD2 TYR A 2 -7.560 13.470 10.192 1.00 25.00 C ATOM 18 CE1 TYR A 2 -6.002 11.153 9.873 1.00 25.00 C ATOM 19 CE2 TYR A 2 -8.072 12.200 10.572 1.00 25.00 C ATOM 20 CZ TYR A 2 -7.286 11.054 10.412 1.00 25.00 C ATOM 21 OH TYR A 2 -7.783 9.826 10.782 1.00 25.00 O ATOM 0 H TYR A 2 -5.291 17.422 9.176 1.00 25.00 H new ATOM 0 HA TYR A 2 -6.151 15.632 11.262 1.00 25.00 H new ATOM 0 HB2 TYR A 2 -6.418 15.491 8.653 1.00 25.00 H new ATOM 0 HB3 TYR A 2 -4.794 14.833 8.684 1.00 25.00 H new ATOM 0 HD1 TYR A 2 -4.500 12.494 9.058 1.00 25.00 H new ATOM 0 HD2 TYR A 2 -8.170 14.352 10.322 1.00 25.00 H new ATOM 0 HE1 TYR A 2 -5.397 10.267 9.752 1.00 25.00 H new ATOM 0 HE2 TYR A 2 -9.067 12.120 10.984 1.00 25.00 H new ATOM 0 HH TYR A 2 -8.689 9.934 11.139 1.00 25.00 H new ATOM 31 N ARG A 3 -3.949 14.168 11.600 1.00 25.00 N ATOM 32 CA ARG A 3 -2.739 13.650 12.241 1.00 25.00 C ATOM 33 C ARG A 3 -1.550 13.638 11.277 1.00 25.00 C ATOM 34 O ARG A 3 -1.720 13.490 10.072 1.00 25.00 O ATOM 35 CB ARG A 3 -2.993 12.226 12.753 1.00 25.00 C ATOM 36 CG ARG A 3 -3.988 12.151 13.908 1.00 25.00 C ATOM 37 CD ARG A 3 -3.437 12.824 15.161 1.00 25.00 C ATOM 38 NE ARG A 3 -4.345 12.670 16.310 1.00 25.00 N ATOM 39 CZ ARG A 3 -4.149 13.196 17.514 1.00 25.00 C ATOM 40 NH1 ARG A 3 -3.091 13.924 17.790 1.00 25.00 N ATOM 41 NH2 ARG A 3 -5.036 13.001 18.449 1.00 25.00 N ATOM 0 H ARG A 3 -4.714 13.495 11.551 1.00 25.00 H new ATOM 0 HA ARG A 3 -2.495 14.310 13.073 1.00 25.00 H new ATOM 0 HB2 ARG A 3 -3.361 11.615 11.929 1.00 25.00 H new ATOM 0 HB3 ARG A 3 -2.046 11.792 13.074 1.00 25.00 H new ATOM 0 HG2 ARG A 3 -4.923 12.630 13.617 1.00 25.00 H new ATOM 0 HG3 ARG A 3 -4.218 11.108 14.125 1.00 25.00 H new ATOM 0 HD2 ARG A 3 -2.465 12.395 15.406 1.00 25.00 H new ATOM 0 HD3 ARG A 3 -3.277 13.884 14.964 1.00 25.00 H new ATOM 0 HE ARG A 3 -5.190 12.116 16.171 1.00 25.00 H new ATOM 0 HH11 ARG A 3 -2.391 14.100 17.070 1.00 25.00 H new ATOM 0 HH12 ARG A 3 -2.970 14.314 18.725 1.00 25.00 H new ATOM 0 HH21 ARG A 3 -5.871 12.449 18.253 1.00 25.00 H new ATOM 0 HH22 ARG A 3 -4.895 13.400 19.377 1.00 25.00 H new ATOM 55 N PRO A 4 -0.322 13.767 11.814 1.00 25.00 N ATOM 56 CA PRO A 4 0.876 13.748 10.970 1.00 25.00 C ATOM 57 C PRO A 4 1.235 12.331 10.505 1.00 25.00 C ATOM 58 O PRO A 4 0.534 11.378 10.818 1.00 25.00 O ATOM 59 CB PRO A 4 1.950 14.327 11.905 1.00 25.00 C ATOM 60 CG PRO A 4 1.548 13.842 13.240 1.00 25.00 C ATOM 61 CD PRO A 4 0.043 13.923 13.238 1.00 25.00 C ATOM 0 HA PRO A 4 0.755 14.310 10.044 1.00 25.00 H new ATOM 0 HB2 PRO A 4 2.947 13.978 11.635 1.00 25.00 H new ATOM 0 HB3 PRO A 4 1.972 15.416 11.864 1.00 25.00 H new ATOM 0 HG2 PRO A 4 1.890 12.821 13.410 1.00 25.00 H new ATOM 0 HG3 PRO A 4 1.977 14.457 14.031 1.00 25.00 H new ATOM 0 HD2 PRO A 4 -0.400 13.138 13.852 1.00 25.00 H new ATOM 0 HD3 PRO A 4 -0.306 14.875 13.637 1.00 25.00 H new ATOM 69 N SER A 5 2.353 12.231 9.785 1.00 25.00 N ATOM 70 CA SER A 5 2.865 10.948 9.270 1.00 25.00 C ATOM 71 C SER A 5 1.923 10.282 8.270 1.00 25.00 C ATOM 72 O SER A 5 1.661 9.086 8.337 1.00 25.00 O ATOM 73 CB SER A 5 3.212 9.971 10.399 1.00 25.00 C ATOM 74 OG SER A 5 4.075 8.953 9.931 1.00 25.00 O ATOM 0 H SER A 5 2.933 13.033 9.539 1.00 25.00 H new ATOM 0 HA SER A 5 3.781 11.200 8.735 1.00 25.00 H new ATOM 0 HB2 SER A 5 3.687 10.509 11.219 1.00 25.00 H new ATOM 0 HB3 SER A 5 2.299 9.527 10.796 1.00 25.00 H new ATOM 0 HG SER A 5 3.633 8.454 9.213 1.00 25.00 H new ATOM 80 N GLU A 6 1.481 11.065 7.294 1.00 25.00 N ATOM 81 CA GLU A 6 0.693 10.539 6.166 1.00 25.00 C ATOM 82 C GLU A 6 1.606 9.650 5.298 1.00 25.00 C ATOM 83 O GLU A 6 1.144 8.856 4.488 1.00 25.00 O ATOM 84 CB GLU A 6 0.118 11.697 5.335 1.00 25.00 C ATOM 85 CG GLU A 6 1.161 12.501 4.544 1.00 25.00 C ATOM 86 CD GLU A 6 0.584 13.737 3.917 1.00 25.00 C ATOM 87 OE1 GLU A 6 0.307 14.723 4.527 1.00 25.00 O ATOM 88 OE2 GLU A 6 0.403 13.633 2.652 1.00 25.00 O ATOM 0 H GLU A 6 1.651 12.070 7.253 1.00 25.00 H new ATOM 0 HA GLU A 6 -0.142 9.947 6.541 1.00 25.00 H new ATOM 0 HB2 GLU A 6 -0.616 11.295 4.637 1.00 25.00 H new ATOM 0 HB3 GLU A 6 -0.414 12.375 6.002 1.00 25.00 H new ATOM 0 HG2 GLU A 6 1.978 12.783 5.209 1.00 25.00 H new ATOM 0 HG3 GLU A 6 1.588 11.869 3.765 1.00 25.00 H new ATOM 96 N THR A 7 2.909 9.802 5.494 1.00 25.00 N ATOM 97 CA THR A 7 3.915 8.990 4.829 1.00 25.00 C ATOM 98 C THR A 7 4.111 7.703 5.612 1.00 25.00 C ATOM 99 O THR A 7 4.105 7.702 6.846 1.00 25.00 O ATOM 100 CB THR A 7 5.264 9.733 4.795 1.00 25.00 C ATOM 101 OG1 THR A 7 5.500 10.323 6.076 1.00 25.00 O ATOM 102 CG2 THR A 7 5.254 10.849 3.776 1.00 25.00 C ATOM 0 H THR A 7 3.300 10.501 6.126 1.00 25.00 H new ATOM 0 HA THR A 7 3.581 8.783 3.812 1.00 25.00 H new ATOM 0 HB THR A 7 6.038 9.012 4.532 1.00 25.00 H new ATOM 0 HG1 THR A 7 6.358 10.797 6.065 1.00 25.00 H new ATOM 0 HG21 THR A 7 6.221 11.352 3.778 1.00 25.00 H new ATOM 0 HG22 THR A 7 5.062 10.436 2.786 1.00 25.00 H new ATOM 0 HG23 THR A 7 4.472 11.565 4.028 1.00 25.00 H new ATOM 110 N LEU A 8 4.293 6.611 4.891 1.00 25.00 N ATOM 111 CA LEU A 8 4.473 5.300 5.487 1.00 25.00 C ATOM 112 C LEU A 8 5.725 4.657 4.930 1.00 25.00 C ATOM 113 O LEU A 8 5.944 4.641 3.722 1.00 25.00 O ATOM 114 CB LEU A 8 3.281 4.401 5.157 1.00 25.00 C ATOM 115 CG LEU A 8 1.947 4.469 5.918 1.00 25.00 C ATOM 116 CD1 LEU A 8 2.102 4.858 7.379 1.00 25.00 C ATOM 117 CD2 LEU A 8 0.991 5.398 5.218 1.00 25.00 C ATOM 0 H LEU A 8 4.320 6.609 3.871 1.00 25.00 H new ATOM 0 HA LEU A 8 4.556 5.419 6.567 1.00 25.00 H new ATOM 0 HB2 LEU A 8 3.047 4.570 4.106 1.00 25.00 H new ATOM 0 HB3 LEU A 8 3.635 3.374 5.243 1.00 25.00 H new ATOM 0 HG LEU A 8 1.539 3.458 5.916 1.00 25.00 H new ATOM 0 HD11 LEU A 8 1.121 4.886 7.854 1.00 25.00 H new ATOM 0 HD12 LEU A 8 2.730 4.125 7.886 1.00 25.00 H new ATOM 0 HD13 LEU A 8 2.566 5.842 7.446 1.00 25.00 H new ATOM 0 HD21 LEU A 8 0.051 5.436 5.769 1.00 25.00 H new ATOM 0 HD22 LEU A 8 1.424 6.397 5.170 1.00 25.00 H new ATOM 0 HD23 LEU A 8 0.805 5.035 4.207 1.00 25.00 H new ATOM 129 N CYS A 9 6.538 4.098 5.818 1.00 25.00 N ATOM 130 CA CYS A 9 7.819 3.488 5.421 1.00 25.00 C ATOM 131 C CYS A 9 8.036 2.043 5.898 1.00 25.00 C ATOM 132 O CYS A 9 8.270 1.149 5.099 1.00 25.00 O ATOM 133 CB CYS A 9 8.968 4.348 5.964 1.00 25.00 C ATOM 134 SG CYS A 9 8.937 6.076 5.403 1.00 25.00 S ATOM 0 H CYS A 9 6.341 4.050 6.818 1.00 25.00 H new ATOM 0 HA CYS A 9 7.795 3.448 4.332 1.00 25.00 H new ATOM 0 HB2 CYS A 9 8.936 4.331 7.053 1.00 25.00 H new ATOM 0 HB3 CYS A 9 9.915 3.898 5.666 1.00 25.00 H new ATOM 139 N GLY A 10 8.032 1.845 7.212 1.00 25.00 N ATOM 140 CA GLY A 10 8.362 0.541 7.791 1.00 25.00 C ATOM 141 C GLY A 10 7.186 -0.403 7.932 1.00 25.00 C ATOM 142 O GLY A 10 6.361 -0.513 7.037 1.00 25.00 O ATOM 0 H GLY A 10 7.805 2.566 7.897 1.00 25.00 H new ATOM 0 HA2 GLY A 10 9.121 0.064 7.171 1.00 25.00 H new ATOM 0 HA3 GLY A 10 8.806 0.697 8.774 1.00 25.00 H new ATOM 146 N GLY A 11 7.083 -1.048 9.081 1.00 25.00 N ATOM 147 CA GLY A 11 5.981 -1.973 9.331 1.00 25.00 C ATOM 148 C GLY A 11 4.625 -1.293 9.292 1.00 25.00 C ATOM 149 O GLY A 11 3.608 -1.919 9.053 1.00 25.00 O ATOM 0 H GLY A 11 7.742 -0.952 9.854 1.00 25.00 H new ATOM 0 HA2 GLY A 11 6.005 -2.770 8.587 1.00 25.00 H new ATOM 0 HA3 GLY A 11 6.120 -2.442 10.305 1.00 25.00 H new ATOM 153 N GLU A 12 4.619 0.021 9.477 1.00 25.00 N ATOM 154 CA GLU A 12 3.390 0.806 9.380 1.00 25.00 C ATOM 155 C GLU A 12 2.836 0.761 7.953 1.00 25.00 C ATOM 156 O GLU A 12 1.638 0.759 7.758 1.00 25.00 O ATOM 157 CB GLU A 12 3.666 2.258 9.772 1.00 25.00 C ATOM 158 CG GLU A 12 4.067 2.426 11.234 1.00 25.00 C ATOM 159 CD GLU A 12 4.498 3.828 11.553 1.00 25.00 C ATOM 160 OE1 GLU A 12 5.336 4.413 10.939 1.00 25.00 O ATOM 161 OE2 GLU A 12 3.891 4.339 12.562 1.00 25.00 O ATOM 0 H GLU A 12 5.452 0.568 9.695 1.00 25.00 H new ATOM 0 HA GLU A 12 2.653 0.378 10.060 1.00 25.00 H new ATOM 0 HB2 GLU A 12 4.460 2.653 9.138 1.00 25.00 H new ATOM 0 HB3 GLU A 12 2.775 2.855 9.577 1.00 25.00 H new ATOM 0 HG2 GLU A 12 3.226 2.154 11.872 1.00 25.00 H new ATOM 0 HG3 GLU A 12 4.880 1.738 11.466 1.00 25.00 H new ATOM 168 N LEU A 13 3.716 0.692 6.958 1.00 25.00 N ATOM 169 CA LEU A 13 3.282 0.607 5.567 1.00 25.00 C ATOM 170 C LEU A 13 2.627 -0.743 5.316 1.00 25.00 C ATOM 171 O LEU A 13 1.606 -0.835 4.654 1.00 25.00 O ATOM 172 CB LEU A 13 4.480 0.783 4.629 1.00 25.00 C ATOM 173 CG LEU A 13 4.190 0.761 3.116 1.00 25.00 C ATOM 174 CD1 LEU A 13 3.049 1.692 2.690 1.00 25.00 C ATOM 175 CD2 LEU A 13 5.468 1.153 2.385 1.00 25.00 C ATOM 0 H LEU A 13 4.728 0.693 7.088 1.00 25.00 H new ATOM 0 HA LEU A 13 2.561 1.401 5.372 1.00 25.00 H new ATOM 0 HB2 LEU A 13 4.962 1.731 4.868 1.00 25.00 H new ATOM 0 HB3 LEU A 13 5.201 -0.005 4.848 1.00 25.00 H new ATOM 0 HG LEU A 13 3.866 -0.247 2.859 1.00 25.00 H new ATOM 0 HD11 LEU A 13 2.905 1.621 1.612 1.00 25.00 H new ATOM 0 HD12 LEU A 13 2.131 1.399 3.199 1.00 25.00 H new ATOM 0 HD13 LEU A 13 3.299 2.719 2.956 1.00 25.00 H new ATOM 0 HD21 LEU A 13 5.289 1.145 1.310 1.00 25.00 H new ATOM 0 HD22 LEU A 13 5.772 2.153 2.695 1.00 25.00 H new ATOM 0 HD23 LEU A 13 6.258 0.442 2.627 1.00 25.00 H new ATOM 187 N VAL A 14 3.199 -1.785 5.900 1.00 25.00 N ATOM 188 CA VAL A 14 2.644 -3.132 5.785 1.00 25.00 C ATOM 189 C VAL A 14 1.262 -3.155 6.426 1.00 25.00 C ATOM 190 O VAL A 14 0.333 -3.709 5.867 1.00 25.00 O ATOM 191 CB VAL A 14 3.581 -4.174 6.455 1.00 25.00 C ATOM 192 CG1 VAL A 14 3.002 -5.586 6.324 1.00 25.00 C ATOM 193 CG2 VAL A 14 4.989 -4.111 5.820 1.00 25.00 C ATOM 0 H VAL A 14 4.049 -1.727 6.460 1.00 25.00 H new ATOM 0 HA VAL A 14 2.558 -3.399 4.732 1.00 25.00 H new ATOM 0 HB VAL A 14 3.661 -3.934 7.515 1.00 25.00 H new ATOM 0 HG11 VAL A 14 3.674 -6.300 6.800 1.00 25.00 H new ATOM 0 HG12 VAL A 14 2.027 -5.626 6.810 1.00 25.00 H new ATOM 0 HG13 VAL A 14 2.893 -5.838 5.269 1.00 25.00 H new ATOM 0 HG21 VAL A 14 5.637 -4.846 6.298 1.00 25.00 H new ATOM 0 HG22 VAL A 14 4.918 -4.329 4.754 1.00 25.00 H new ATOM 0 HG23 VAL A 14 5.407 -3.114 5.959 1.00 25.00 H new ATOM 203 N ASP A 15 1.117 -2.486 7.560 1.00 25.00 N ATOM 204 CA ASP A 15 -0.187 -2.380 8.221 1.00 25.00 C ATOM 205 C ASP A 15 -1.205 -1.686 7.318 1.00 25.00 C ATOM 206 O ASP A 15 -2.294 -2.202 7.112 1.00 25.00 O ATOM 207 CB ASP A 15 -0.064 -1.625 9.540 1.00 25.00 C ATOM 208 CG ASP A 15 -1.381 -1.485 10.245 1.00 25.00 C ATOM 209 OD1 ASP A 15 -2.139 -0.584 10.068 1.00 25.00 O ATOM 210 OD2 ASP A 15 -1.623 -2.434 11.082 1.00 25.00 O ATOM 0 H ASP A 15 1.878 -2.009 8.044 1.00 25.00 H new ATOM 0 HA ASP A 15 -0.537 -3.392 8.425 1.00 25.00 H new ATOM 0 HB2 ASP A 15 0.639 -2.147 10.190 1.00 25.00 H new ATOM 0 HB3 ASP A 15 0.351 -0.635 9.351 1.00 25.00 H new ATOM 215 N THR A 16 -0.841 -0.546 6.749 1.00 25.00 N ATOM 216 CA THR A 16 -1.744 0.172 5.848 1.00 25.00 C ATOM 217 C THR A 16 -2.098 -0.685 4.627 1.00 25.00 C ATOM 218 O THR A 16 -3.242 -0.722 4.209 1.00 25.00 O ATOM 219 CB THR A 16 -1.122 1.503 5.374 1.00 25.00 C ATOM 220 OG1 THR A 16 -0.681 2.241 6.507 1.00 25.00 O ATOM 221 CG2 THR A 16 -2.135 2.361 4.637 1.00 25.00 C ATOM 0 H THR A 16 0.064 -0.098 6.890 1.00 25.00 H new ATOM 0 HA THR A 16 -2.653 0.388 6.410 1.00 25.00 H new ATOM 0 HB THR A 16 -0.297 1.262 4.703 1.00 25.00 H new ATOM 0 HG1 THR A 16 0.155 1.856 6.843 1.00 25.00 H new ATOM 0 HG21 THR A 16 -1.662 3.290 4.318 1.00 25.00 H new ATOM 0 HG22 THR A 16 -2.501 1.822 3.763 1.00 25.00 H new ATOM 0 HG23 THR A 16 -2.970 2.588 5.300 1.00 25.00 H new ATOM 229 N LEU A 17 -1.128 -1.394 4.069 1.00 25.00 N ATOM 230 CA LEU A 17 -1.386 -2.247 2.911 1.00 25.00 C ATOM 231 C LEU A 17 -2.356 -3.367 3.276 1.00 25.00 C ATOM 232 O LEU A 17 -3.260 -3.658 2.520 1.00 25.00 O ATOM 233 CB LEU A 17 -0.072 -2.822 2.375 1.00 25.00 C ATOM 234 CG LEU A 17 0.745 -1.833 1.521 1.00 25.00 C ATOM 235 CD1 LEU A 17 2.214 -2.226 1.518 1.00 25.00 C ATOM 236 CD2 LEU A 17 0.220 -1.792 0.082 1.00 25.00 C ATOM 0 H LEU A 17 -0.161 -1.398 4.394 1.00 25.00 H new ATOM 0 HA LEU A 17 -1.844 -1.643 2.128 1.00 25.00 H new ATOM 0 HB2 LEU A 17 0.539 -3.150 3.216 1.00 25.00 H new ATOM 0 HB3 LEU A 17 -0.292 -3.706 1.777 1.00 25.00 H new ATOM 0 HG LEU A 17 0.639 -0.841 1.960 1.00 25.00 H new ATOM 0 HD11 LEU A 17 2.779 -1.518 0.911 1.00 25.00 H new ATOM 0 HD12 LEU A 17 2.596 -2.214 2.539 1.00 25.00 H new ATOM 0 HD13 LEU A 17 2.322 -3.228 1.102 1.00 25.00 H new ATOM 0 HD21 LEU A 17 0.812 -1.087 -0.501 1.00 25.00 H new ATOM 0 HD22 LEU A 17 0.297 -2.785 -0.362 1.00 25.00 H new ATOM 0 HD23 LEU A 17 -0.823 -1.475 0.084 1.00 25.00 H new ATOM 248 N GLN A 18 -2.211 -3.954 4.453 1.00 25.00 N ATOM 249 CA GLN A 18 -3.132 -5.001 4.889 1.00 25.00 C ATOM 250 C GLN A 18 -4.530 -4.420 5.146 1.00 25.00 C ATOM 251 O GLN A 18 -5.532 -5.052 4.867 1.00 25.00 O ATOM 252 CB GLN A 18 -2.602 -5.666 6.156 1.00 25.00 C ATOM 253 CG GLN A 18 -1.360 -6.516 5.906 1.00 25.00 C ATOM 254 CD GLN A 18 -0.698 -6.989 7.179 1.00 25.00 C ATOM 255 OE1 GLN A 18 -0.964 -6.499 8.258 1.00 25.00 O ATOM 256 NE2 GLN A 18 0.190 -7.930 7.046 1.00 25.00 N ATOM 0 H GLN A 18 -1.473 -3.729 5.121 1.00 25.00 H new ATOM 0 HA GLN A 18 -3.208 -5.747 4.098 1.00 25.00 H new ATOM 0 HB2 GLN A 18 -2.368 -4.898 6.893 1.00 25.00 H new ATOM 0 HB3 GLN A 18 -3.384 -6.292 6.586 1.00 25.00 H new ATOM 0 HG2 GLN A 18 -1.635 -7.382 5.304 1.00 25.00 H new ATOM 0 HG3 GLN A 18 -0.643 -5.938 5.324 1.00 25.00 H new ATOM 0 HE21 GLN A 18 0.388 -8.318 6.124 1.00 25.00 H new ATOM 0 HE22 GLN A 18 0.689 -8.280 7.864 1.00 25.00 H new ATOM 265 N PHE A 19 -4.590 -3.200 5.650 1.00 25.00 N ATOM 266 CA PHE A 19 -5.866 -2.529 5.901 1.00 25.00 C ATOM 267 C PHE A 19 -6.617 -2.209 4.597 1.00 25.00 C ATOM 268 O PHE A 19 -7.821 -2.425 4.498 1.00 25.00 O ATOM 269 CB PHE A 19 -5.610 -1.235 6.686 1.00 25.00 C ATOM 270 CG PHE A 19 -6.860 -0.502 7.070 1.00 25.00 C ATOM 271 CD1 PHE A 19 -7.569 -0.864 8.229 1.00 25.00 C ATOM 272 CD2 PHE A 19 -7.336 0.561 6.280 1.00 25.00 C ATOM 273 CE1 PHE A 19 -8.744 -0.169 8.602 1.00 25.00 C ATOM 274 CE2 PHE A 19 -8.506 1.262 6.634 1.00 25.00 C ATOM 275 CZ PHE A 19 -9.214 0.896 7.806 1.00 25.00 C ATOM 0 H PHE A 19 -3.769 -2.647 5.896 1.00 25.00 H new ATOM 0 HA PHE A 19 -6.494 -3.205 6.481 1.00 25.00 H new ATOM 0 HB2 PHE A 19 -5.048 -1.474 7.589 1.00 25.00 H new ATOM 0 HB3 PHE A 19 -4.983 -0.575 6.086 1.00 25.00 H new ATOM 0 HD1 PHE A 19 -7.214 -1.680 8.840 1.00 25.00 H new ATOM 0 HD2 PHE A 19 -6.796 0.844 5.388 1.00 25.00 H new ATOM 0 HE1 PHE A 19 -9.280 -0.454 9.495 1.00 25.00 H new ATOM 0 HE2 PHE A 19 -8.861 2.073 6.016 1.00 25.00 H new ATOM 0 HZ PHE A 19 -10.109 1.430 8.088 1.00 25.00 H new ATOM 285 N VAL A 20 -5.913 -1.688 3.598 1.00 25.00 N ATOM 286 CA VAL A 20 -6.541 -1.291 2.330 1.00 25.00 C ATOM 287 C VAL A 20 -6.781 -2.497 1.417 1.00 25.00 C ATOM 288 O VAL A 20 -7.826 -2.606 0.762 1.00 25.00 O ATOM 289 CB VAL A 20 -5.652 -0.234 1.588 1.00 25.00 C ATOM 290 CG1 VAL A 20 -6.247 0.168 0.220 1.00 25.00 C ATOM 291 CG2 VAL A 20 -5.487 1.022 2.452 1.00 25.00 C ATOM 0 H VAL A 20 -4.906 -1.528 3.636 1.00 25.00 H new ATOM 0 HA VAL A 20 -7.508 -0.848 2.569 1.00 25.00 H new ATOM 0 HB VAL A 20 -4.682 -0.699 1.414 1.00 25.00 H new ATOM 0 HG11 VAL A 20 -5.598 0.902 -0.258 1.00 25.00 H new ATOM 0 HG12 VAL A 20 -6.327 -0.714 -0.415 1.00 25.00 H new ATOM 0 HG13 VAL A 20 -7.237 0.600 0.367 1.00 25.00 H new ATOM 0 HG21 VAL A 20 -4.868 1.748 1.925 1.00 25.00 H new ATOM 0 HG22 VAL A 20 -6.466 1.458 2.651 1.00 25.00 H new ATOM 0 HG23 VAL A 20 -5.010 0.755 3.395 1.00 25.00 H new ATOM 301 N CYS A 21 -5.810 -3.391 1.331 1.00 25.00 N ATOM 302 CA CYS A 21 -5.899 -4.511 0.400 1.00 25.00 C ATOM 303 C CYS A 21 -6.556 -5.751 0.984 1.00 25.00 C ATOM 304 O CYS A 21 -7.046 -6.607 0.240 1.00 25.00 O ATOM 305 CB CYS A 21 -4.504 -4.881 -0.102 1.00 25.00 C ATOM 306 SG CYS A 21 -3.573 -3.456 -0.755 1.00 25.00 S ATOM 0 H CYS A 21 -4.956 -3.367 1.888 1.00 25.00 H new ATOM 0 HA CYS A 21 -6.536 -4.170 -0.416 1.00 25.00 H new ATOM 0 HB2 CYS A 21 -3.939 -5.332 0.714 1.00 25.00 H new ATOM 0 HB3 CYS A 21 -4.595 -5.636 -0.883 1.00 25.00 H new ATOM 311 N GLY A 22 -6.556 -5.871 2.302 1.00 25.00 N ATOM 312 CA GLY A 22 -7.087 -7.056 2.946 1.00 25.00 C ATOM 313 C GLY A 22 -6.137 -8.222 2.745 1.00 25.00 C ATOM 314 O GLY A 22 -4.983 -8.044 2.332 1.00 25.00 O ATOM 0 H GLY A 22 -6.195 -5.164 2.942 1.00 25.00 H new ATOM 0 HA2 GLY A 22 -7.228 -6.870 4.011 1.00 25.00 H new ATOM 0 HA3 GLY A 22 -8.066 -7.298 2.532 1.00 25.00 H new ATOM 318 N ASP A 23 -6.626 -9.421 2.999 1.00 25.00 N ATOM 319 CA ASP A 23 -5.845 -10.656 2.863 1.00 25.00 C ATOM 320 C ASP A 23 -5.599 -11.046 1.397 1.00 25.00 C ATOM 321 O ASP A 23 -4.981 -12.058 1.100 1.00 25.00 O ATOM 322 CB ASP A 23 -6.553 -11.799 3.593 1.00 25.00 C ATOM 323 CG ASP A 23 -5.608 -12.927 3.982 1.00 25.00 C ATOM 324 OD1 ASP A 23 -6.028 -14.100 3.921 1.00 25.00 O ATOM 325 OD2 ASP A 23 -4.472 -12.622 4.423 1.00 25.00 O ATOM 0 H ASP A 23 -7.585 -9.577 3.309 1.00 25.00 H new ATOM 0 HA ASP A 23 -4.869 -10.470 3.312 1.00 25.00 H new ATOM 0 HB2 ASP A 23 -7.033 -11.408 4.490 1.00 25.00 H new ATOM 0 HB3 ASP A 23 -7.343 -12.197 2.956 1.00 25.00 H new ATOM 330 N ARG A 24 -6.093 -10.235 0.471 1.00 25.00 N ATOM 331 CA ARG A 24 -5.907 -10.494 -0.960 1.00 25.00 C ATOM 332 C ARG A 24 -4.447 -10.335 -1.369 1.00 25.00 C ATOM 333 O ARG A 24 -4.047 -10.795 -2.434 1.00 25.00 O ATOM 334 CB ARG A 24 -6.762 -9.530 -1.782 1.00 25.00 C ATOM 335 CG ARG A 24 -8.247 -9.625 -1.478 1.00 25.00 C ATOM 336 CD ARG A 24 -9.027 -8.636 -2.310 1.00 25.00 C ATOM 337 NE ARG A 24 -8.711 -7.252 -1.949 1.00 25.00 N ATOM 338 CZ ARG A 24 -9.119 -6.165 -2.594 1.00 25.00 C ATOM 339 NH1 ARG A 24 -9.870 -6.229 -3.664 1.00 25.00 N ATOM 340 NH2 ARG A 24 -8.759 -4.996 -2.151 1.00 25.00 N ATOM 0 H ARG A 24 -6.626 -9.391 0.680 1.00 25.00 H new ATOM 0 HA ARG A 24 -6.213 -11.522 -1.152 1.00 25.00 H new ATOM 0 HB2 ARG A 24 -6.426 -8.510 -1.596 1.00 25.00 H new ATOM 0 HB3 ARG A 24 -6.603 -9.729 -2.842 1.00 25.00 H new ATOM 0 HG2 ARG A 24 -8.601 -10.636 -1.680 1.00 25.00 H new ATOM 0 HG3 ARG A 24 -8.419 -9.433 -0.419 1.00 25.00 H new ATOM 0 HD2 ARG A 24 -8.807 -8.796 -3.366 1.00 25.00 H new ATOM 0 HD3 ARG A 24 -10.095 -8.812 -2.177 1.00 25.00 H new ATOM 0 HE ARG A 24 -8.124 -7.110 -1.127 1.00 25.00 H new ATOM 0 HH11 ARG A 24 -10.161 -7.136 -4.029 1.00 25.00 H new ATOM 0 HH12 ARG A 24 -10.164 -5.372 -4.133 1.00 25.00 H new ATOM 0 HH21 ARG A 24 -8.172 -4.924 -1.320 1.00 25.00 H new ATOM 0 HH22 ARG A 24 -9.064 -4.151 -2.635 1.00 25.00 H new ATOM 354 N GLY A 25 -3.660 -9.696 -0.516 1.00 25.00 N ATOM 355 CA GLY A 25 -2.244 -9.521 -0.779 1.00 25.00 C ATOM 356 C GLY A 25 -1.963 -8.204 -1.458 1.00 25.00 C ATOM 357 O GLY A 25 -2.879 -7.458 -1.815 1.00 25.00 O ATOM 0 H GLY A 25 -3.980 -9.291 0.364 1.00 25.00 H new ATOM 0 HA2 GLY A 25 -1.690 -9.573 0.158 1.00 25.00 H new ATOM 0 HA3 GLY A 25 -1.886 -10.338 -1.406 1.00 25.00 H new ATOM 361 N PHE A 26 -0.687 -7.899 -1.615 1.00 25.00 N ATOM 362 CA PHE A 26 -0.255 -6.632 -2.191 1.00 25.00 C ATOM 363 C PHE A 26 1.172 -6.768 -2.699 1.00 25.00 C ATOM 364 O PHE A 26 1.872 -7.716 -2.354 1.00 25.00 O ATOM 365 CB PHE A 26 -0.315 -5.536 -1.120 1.00 25.00 C ATOM 366 CG PHE A 26 0.424 -5.882 0.147 1.00 25.00 C ATOM 367 CD1 PHE A 26 1.811 -5.691 0.241 1.00 25.00 C ATOM 368 CD2 PHE A 26 -0.272 -6.413 1.253 1.00 25.00 C ATOM 369 CE1 PHE A 26 2.516 -6.029 1.434 1.00 25.00 C ATOM 370 CE2 PHE A 26 0.416 -6.750 2.443 1.00 25.00 C ATOM 371 CZ PHE A 26 1.806 -6.554 2.532 1.00 25.00 C ATOM 0 H PHE A 26 0.079 -8.518 -1.349 1.00 25.00 H new ATOM 0 HA PHE A 26 -0.912 -6.366 -3.019 1.00 25.00 H new ATOM 0 HB2 PHE A 26 0.100 -4.616 -1.532 1.00 25.00 H new ATOM 0 HB3 PHE A 26 -1.358 -5.335 -0.877 1.00 25.00 H new ATOM 0 HD1 PHE A 26 2.351 -5.283 -0.600 1.00 25.00 H new ATOM 0 HD2 PHE A 26 -1.340 -6.564 1.191 1.00 25.00 H new ATOM 0 HE1 PHE A 26 3.584 -5.884 1.495 1.00 25.00 H new ATOM 0 HE2 PHE A 26 -0.126 -7.158 3.283 1.00 25.00 H new ATOM 0 HZ PHE A 26 2.329 -6.806 3.442 1.00 25.00 H new ATOM 381 N TYR A 27 1.597 -5.796 -3.483 1.00 25.00 N ATOM 382 CA TYR A 27 2.954 -5.755 -4.008 1.00 25.00 C ATOM 383 C TYR A 27 3.787 -4.765 -3.210 1.00 25.00 C ATOM 384 O TYR A 27 3.307 -3.718 -2.796 1.00 25.00 O ATOM 385 CB TYR A 27 2.922 -5.350 -5.481 1.00 25.00 C ATOM 386 CG TYR A 27 2.336 -6.423 -6.370 1.00 25.00 C ATOM 387 CD1 TYR A 27 0.965 -6.419 -6.710 1.00 25.00 C ATOM 388 CD2 TYR A 27 3.147 -7.461 -6.870 1.00 25.00 C ATOM 389 CE1 TYR A 27 0.414 -7.438 -7.531 1.00 25.00 C ATOM 390 CE2 TYR A 27 2.602 -8.480 -7.690 1.00 25.00 C ATOM 391 CZ TYR A 27 1.243 -8.463 -8.014 1.00 25.00 C ATOM 392 OH TYR A 27 0.726 -9.456 -8.806 1.00 25.00 O ATOM 0 H TYR A 27 1.014 -5.012 -3.775 1.00 25.00 H new ATOM 0 HA TYR A 27 3.405 -6.743 -3.921 1.00 25.00 H new ATOM 0 HB2 TYR A 27 2.338 -4.436 -5.589 1.00 25.00 H new ATOM 0 HB3 TYR A 27 3.935 -5.123 -5.813 1.00 25.00 H new ATOM 0 HD1 TYR A 27 0.327 -5.630 -6.340 1.00 25.00 H new ATOM 0 HD2 TYR A 27 4.199 -7.480 -6.625 1.00 25.00 H new ATOM 0 HE1 TYR A 27 -0.636 -7.425 -7.782 1.00 25.00 H new ATOM 0 HE2 TYR A 27 3.237 -9.269 -8.064 1.00 25.00 H new ATOM 0 HH TYR A 27 1.438 -10.082 -9.052 1.00 25.00 H new ATOM 402 N PHE A 28 5.052 -5.100 -3.006 1.00 25.00 N ATOM 403 CA PHE A 28 5.960 -4.250 -2.244 1.00 25.00 C ATOM 404 C PHE A 28 7.110 -3.788 -3.136 1.00 25.00 C ATOM 405 O PHE A 28 7.238 -4.237 -4.276 1.00 25.00 O ATOM 406 CB PHE A 28 6.478 -5.006 -1.013 1.00 25.00 C ATOM 407 CG PHE A 28 6.763 -4.107 0.169 1.00 25.00 C ATOM 408 CD1 PHE A 28 5.699 -3.607 0.950 1.00 25.00 C ATOM 409 CD2 PHE A 28 8.085 -3.766 0.514 1.00 25.00 C ATOM 410 CE1 PHE A 28 5.954 -2.760 2.056 1.00 25.00 C ATOM 411 CE2 PHE A 28 8.349 -2.920 1.622 1.00 25.00 C ATOM 412 CZ PHE A 28 7.275 -2.416 2.386 1.00 25.00 C ATOM 0 H PHE A 28 5.476 -5.958 -3.358 1.00 25.00 H new ATOM 0 HA PHE A 28 5.425 -3.367 -1.896 1.00 25.00 H new ATOM 0 HB2 PHE A 28 5.743 -5.756 -0.721 1.00 25.00 H new ATOM 0 HB3 PHE A 28 7.389 -5.541 -1.281 1.00 25.00 H new ATOM 0 HD1 PHE A 28 4.682 -3.873 0.702 1.00 25.00 H new ATOM 0 HD2 PHE A 28 8.907 -4.152 -0.071 1.00 25.00 H new ATOM 0 HE1 PHE A 28 5.133 -2.379 2.645 1.00 25.00 H new ATOM 0 HE2 PHE A 28 9.366 -2.663 1.879 1.00 25.00 H new ATOM 0 HZ PHE A 28 7.469 -1.765 3.226 1.00 25.00 H new ATOM 422 N SER A 29 7.931 -2.885 -2.619 1.00 25.00 N ATOM 423 CA SER A 29 9.045 -2.295 -3.377 1.00 25.00 C ATOM 424 C SER A 29 10.233 -3.261 -3.578 1.00 25.00 C ATOM 425 O SER A 29 11.305 -3.073 -3.015 1.00 25.00 O ATOM 426 CB SER A 29 9.511 -1.025 -2.661 1.00 25.00 C ATOM 427 OG SER A 29 10.046 -0.075 -3.566 1.00 25.00 O ATOM 0 H SER A 29 7.851 -2.536 -1.664 1.00 25.00 H new ATOM 0 HA SER A 29 8.674 -2.064 -4.376 1.00 25.00 H new ATOM 0 HB2 SER A 29 8.672 -0.582 -2.124 1.00 25.00 H new ATOM 0 HB3 SER A 29 10.265 -1.283 -1.918 1.00 25.00 H new ATOM 0 HG SER A 29 10.331 0.722 -3.073 1.00 25.00 H new ATOM 433 N ARG A 30 10.012 -4.308 -4.360 1.00 25.00 N ATOM 434 CA ARG A 30 11.047 -5.322 -4.636 1.00 25.00 C ATOM 435 C ARG A 30 11.975 -5.128 -5.856 1.00 25.00 C ATOM 436 O ARG A 30 13.180 -5.334 -5.730 1.00 25.00 O ATOM 437 CB ARG A 30 10.392 -6.707 -4.722 1.00 25.00 C ATOM 438 CG ARG A 30 10.819 -7.662 -3.610 1.00 25.00 C ATOM 439 CD ARG A 30 12.288 -8.098 -3.761 1.00 25.00 C ATOM 440 NE ARG A 30 12.673 -9.093 -2.742 1.00 25.00 N ATOM 441 CZ ARG A 30 13.199 -8.817 -1.550 1.00 25.00 C ATOM 442 NH1 ARG A 30 13.430 -7.588 -1.152 1.00 25.00 N ATOM 443 NH2 ARG A 30 13.496 -9.798 -0.743 1.00 25.00 N ATOM 0 H ARG A 30 9.121 -4.487 -4.823 1.00 25.00 H new ATOM 0 HA ARG A 30 11.725 -5.207 -3.790 1.00 25.00 H new ATOM 0 HB2 ARG A 30 9.309 -6.589 -4.690 1.00 25.00 H new ATOM 0 HB3 ARG A 30 10.636 -7.154 -5.686 1.00 25.00 H new ATOM 0 HG2 ARG A 30 10.681 -7.178 -2.643 1.00 25.00 H new ATOM 0 HG3 ARG A 30 10.176 -8.542 -3.620 1.00 25.00 H new ATOM 0 HD2 ARG A 30 12.442 -8.518 -4.755 1.00 25.00 H new ATOM 0 HD3 ARG A 30 12.936 -7.225 -3.680 1.00 25.00 H new ATOM 0 HE ARG A 30 12.524 -10.076 -2.970 1.00 25.00 H new ATOM 0 HH11 ARG A 30 13.205 -6.803 -1.763 1.00 25.00 H new ATOM 0 HH12 ARG A 30 13.834 -7.418 -0.231 1.00 25.00 H new ATOM 0 HH21 ARG A 30 13.325 -10.762 -1.028 1.00 25.00 H new ATOM 0 HH22 ARG A 30 13.899 -9.601 0.173 1.00 25.00 H new ATOM 457 N PRO A 31 11.433 -4.807 -7.043 1.00 25.00 N ATOM 458 CA PRO A 31 12.313 -4.706 -8.213 1.00 25.00 C ATOM 459 C PRO A 31 13.229 -3.489 -8.154 1.00 25.00 C ATOM 460 O PRO A 31 12.881 -2.458 -7.573 1.00 25.00 O ATOM 461 CB PRO A 31 11.327 -4.620 -9.375 1.00 25.00 C ATOM 462 CG PRO A 31 10.122 -3.959 -8.784 1.00 25.00 C ATOM 463 CD PRO A 31 10.030 -4.543 -7.395 1.00 25.00 C ATOM 0 HA PRO A 31 13.002 -5.546 -8.293 1.00 25.00 H new ATOM 0 HB2 PRO A 31 11.735 -4.039 -10.202 1.00 25.00 H new ATOM 0 HB3 PRO A 31 11.087 -5.608 -9.768 1.00 25.00 H new ATOM 0 HG2 PRO A 31 10.235 -2.875 -8.755 1.00 25.00 H new ATOM 0 HG3 PRO A 31 9.225 -4.170 -9.366 1.00 25.00 H new ATOM 0 HD2 PRO A 31 9.565 -3.847 -6.697 1.00 25.00 H new ATOM 0 HD3 PRO A 31 9.434 -5.455 -7.381 1.00 25.00 H new ATOM 471 N ALA A 32 14.408 -3.619 -8.753 1.00 25.00 N ATOM 472 CA ALA A 32 15.405 -2.554 -8.775 1.00 25.00 C ATOM 473 C ALA A 32 16.407 -2.846 -9.893 1.00 25.00 C ATOM 474 O ALA A 32 16.365 -3.914 -10.506 1.00 25.00 O ATOM 475 CB ALA A 32 16.139 -2.493 -7.416 1.00 25.00 C ATOM 0 H ALA A 32 14.700 -4.467 -9.238 1.00 25.00 H new ATOM 0 HA ALA A 32 14.919 -1.595 -8.953 1.00 25.00 H new ATOM 0 HB1 ALA A 32 16.882 -1.696 -7.439 1.00 25.00 H new ATOM 0 HB2 ALA A 32 15.419 -2.295 -6.622 1.00 25.00 H new ATOM 0 HB3 ALA A 32 16.634 -3.445 -7.227 1.00 25.00 H new ATOM 481 N SER A 33 17.317 -1.907 -10.110 1.00 25.00 N ATOM 482 CA SER A 33 18.408 -2.068 -11.066 1.00 25.00 C ATOM 483 C SER A 33 19.474 -3.025 -10.520 1.00 25.00 C ATOM 484 O SER A 33 19.360 -3.531 -9.408 1.00 25.00 O ATOM 485 CB SER A 33 19.027 -0.686 -11.286 1.00 25.00 C ATOM 486 OG SER A 33 18.318 0.274 -10.522 1.00 25.00 O ATOM 0 H SER A 33 17.321 -1.008 -9.627 1.00 25.00 H new ATOM 0 HA SER A 33 18.029 -2.486 -11.998 1.00 25.00 H new ATOM 0 HB2 SER A 33 20.077 -0.695 -10.995 1.00 25.00 H new ATOM 0 HB3 SER A 33 18.992 -0.424 -12.343 1.00 25.00 H new ATOM 0 HG SER A 33 18.882 0.587 -9.784 1.00 25.00 H new ATOM 492 N ARG A 34 20.527 -3.256 -11.296 1.00 25.00 N ATOM 493 CA ARG A 34 21.654 -4.069 -10.832 1.00 25.00 C ATOM 494 C ARG A 34 22.544 -3.251 -9.899 1.00 25.00 C ATOM 495 O ARG A 34 23.223 -3.788 -9.033 1.00 25.00 O ATOM 496 CB ARG A 34 22.458 -4.567 -12.041 1.00 25.00 C ATOM 497 CG ARG A 34 23.233 -5.829 -11.765 1.00 25.00 C ATOM 498 CD ARG A 34 22.551 -7.052 -12.377 1.00 25.00 C ATOM 499 NE ARG A 34 21.209 -7.271 -11.811 1.00 25.00 N ATOM 500 CZ ARG A 34 20.259 -8.033 -12.341 1.00 25.00 C ATOM 501 NH1 ARG A 34 20.430 -8.685 -13.464 1.00 25.00 N ATOM 502 NH2 ARG A 34 19.107 -8.120 -11.737 1.00 25.00 N ATOM 0 H ARG A 34 20.627 -2.896 -12.245 1.00 25.00 H new ATOM 0 HA ARG A 34 21.276 -4.928 -10.279 1.00 25.00 H new ATOM 0 HB2 ARG A 34 21.777 -4.742 -12.874 1.00 25.00 H new ATOM 0 HB3 ARG A 34 23.150 -3.786 -12.355 1.00 25.00 H new ATOM 0 HG2 ARG A 34 24.241 -5.734 -12.169 1.00 25.00 H new ATOM 0 HG3 ARG A 34 23.333 -5.968 -10.688 1.00 25.00 H new ATOM 0 HD2 ARG A 34 22.473 -6.923 -13.456 1.00 25.00 H new ATOM 0 HD3 ARG A 34 23.166 -7.935 -12.205 1.00 25.00 H new ATOM 0 HE ARG A 34 20.990 -6.796 -10.935 1.00 25.00 H new ATOM 0 HH11 ARG A 34 21.317 -8.617 -13.963 1.00 25.00 H new ATOM 0 HH12 ARG A 34 19.676 -9.260 -13.839 1.00 25.00 H new ATOM 0 HH21 ARG A 34 18.946 -7.607 -10.870 1.00 25.00 H new ATOM 0 HH22 ARG A 34 18.367 -8.701 -12.131 1.00 25.00 H new ATOM 516 N VAL A 35 22.506 -1.938 -10.093 1.00 25.00 N ATOM 517 CA VAL A 35 23.206 -0.991 -9.226 1.00 25.00 C ATOM 518 C VAL A 35 22.204 -0.530 -8.166 1.00 25.00 C ATOM 519 O VAL A 35 21.180 -1.176 -7.968 1.00 25.00 O ATOM 520 CB VAL A 35 23.761 0.228 -10.054 1.00 25.00 C ATOM 521 CG1 VAL A 35 24.837 -0.244 -11.028 1.00 25.00 C ATOM 522 CG2 VAL A 35 22.623 0.958 -10.838 1.00 25.00 C ATOM 0 H VAL A 35 21.990 -1.498 -10.855 1.00 25.00 H new ATOM 0 HA VAL A 35 24.069 -1.463 -8.756 1.00 25.00 H new ATOM 0 HB VAL A 35 24.193 0.937 -9.348 1.00 25.00 H new ATOM 0 HG11 VAL A 35 25.213 0.607 -11.595 1.00 25.00 H new ATOM 0 HG12 VAL A 35 25.656 -0.700 -10.472 1.00 25.00 H new ATOM 0 HG13 VAL A 35 24.411 -0.977 -11.713 1.00 25.00 H new ATOM 0 HG21 VAL A 35 23.044 1.793 -11.397 1.00 25.00 H new ATOM 0 HG22 VAL A 35 22.151 0.260 -11.529 1.00 25.00 H new ATOM 0 HG23 VAL A 35 21.878 1.331 -10.135 1.00 25.00 H new ATOM 532 N SER A 36 22.460 0.604 -7.525 1.00 25.00 N ATOM 533 CA SER A 36 21.479 1.229 -6.640 1.00 25.00 C ATOM 534 C SER A 36 20.356 1.856 -7.494 1.00 25.00 C ATOM 535 O SER A 36 19.871 1.246 -8.439 1.00 25.00 O ATOM 536 CB SER A 36 22.191 2.268 -5.758 1.00 25.00 C ATOM 537 OG SER A 36 22.819 3.271 -6.550 1.00 25.00 O ATOM 0 H SER A 36 23.341 1.113 -7.601 1.00 25.00 H new ATOM 0 HA SER A 36 21.021 0.492 -5.981 1.00 25.00 H new ATOM 0 HB2 SER A 36 21.471 2.731 -5.084 1.00 25.00 H new ATOM 0 HB3 SER A 36 22.936 1.772 -5.136 1.00 25.00 H new ATOM 0 HG SER A 36 23.263 3.920 -5.965 1.00 25.00 H new ATOM 543 N ARG A 37 19.953 3.079 -7.158 1.00 25.00 N ATOM 544 CA ARG A 37 18.930 3.812 -7.918 1.00 25.00 C ATOM 545 C ARG A 37 17.628 3.006 -8.031 1.00 25.00 C ATOM 546 O ARG A 37 17.087 2.821 -9.108 1.00 25.00 O ATOM 547 CB ARG A 37 19.448 4.156 -9.327 1.00 25.00 C ATOM 548 CG ARG A 37 20.733 4.985 -9.378 1.00 25.00 C ATOM 549 CD ARG A 37 20.514 6.410 -8.862 1.00 25.00 C ATOM 550 NE ARG A 37 21.591 7.328 -9.275 1.00 25.00 N ATOM 551 CZ ARG A 37 22.678 7.623 -8.572 1.00 25.00 C ATOM 552 NH1 ARG A 37 22.912 7.104 -7.388 1.00 25.00 N ATOM 553 NH2 ARG A 37 23.542 8.477 -9.054 1.00 25.00 N ATOM 0 H ARG A 37 20.321 3.592 -6.357 1.00 25.00 H new ATOM 0 HA ARG A 37 18.718 4.733 -7.375 1.00 25.00 H new ATOM 0 HB2 ARG A 37 19.616 3.226 -9.869 1.00 25.00 H new ATOM 0 HB3 ARG A 37 18.666 4.698 -9.859 1.00 25.00 H new ATOM 0 HG2 ARG A 37 21.504 4.497 -8.781 1.00 25.00 H new ATOM 0 HG3 ARG A 37 21.100 5.023 -10.404 1.00 25.00 H new ATOM 0 HD2 ARG A 37 19.559 6.785 -9.231 1.00 25.00 H new ATOM 0 HD3 ARG A 37 20.451 6.394 -7.774 1.00 25.00 H new ATOM 0 HE ARG A 37 21.492 7.778 -10.185 1.00 25.00 H new ATOM 0 HH11 ARG A 37 22.246 6.449 -6.978 1.00 25.00 H new ATOM 0 HH12 ARG A 37 23.759 7.356 -6.879 1.00 25.00 H new ATOM 0 HH21 ARG A 37 23.378 8.910 -9.963 1.00 25.00 H new ATOM 0 HH22 ARG A 37 24.380 8.710 -8.521 1.00 25.00 H new ATOM 567 N ARG A 38 17.147 2.516 -6.893 1.00 25.00 N ATOM 568 CA ARG A 38 15.904 1.736 -6.854 1.00 25.00 C ATOM 569 C ARG A 38 14.784 2.592 -7.438 1.00 25.00 C ATOM 570 O ARG A 38 14.660 3.763 -7.081 1.00 25.00 O ATOM 571 CB ARG A 38 15.539 1.344 -5.417 1.00 25.00 C ATOM 572 CG ARG A 38 16.587 0.494 -4.721 1.00 25.00 C ATOM 573 CD ARG A 38 16.120 0.103 -3.326 1.00 25.00 C ATOM 574 NE ARG A 38 17.107 -0.747 -2.646 1.00 25.00 N ATOM 575 CZ ARG A 38 18.068 -0.323 -1.838 1.00 25.00 C ATOM 576 NH1 ARG A 38 18.255 0.950 -1.566 1.00 25.00 N ATOM 577 NH2 ARG A 38 18.876 -1.201 -1.295 1.00 25.00 N ATOM 0 H ARG A 38 17.594 2.642 -5.985 1.00 25.00 H new ATOM 0 HA ARG A 38 16.041 0.821 -7.431 1.00 25.00 H new ATOM 0 HB2 ARG A 38 15.377 2.251 -4.834 1.00 25.00 H new ATOM 0 HB3 ARG A 38 14.595 0.800 -5.429 1.00 25.00 H new ATOM 0 HG2 ARG A 38 16.785 -0.402 -5.309 1.00 25.00 H new ATOM 0 HG3 ARG A 38 17.525 1.045 -4.655 1.00 25.00 H new ATOM 0 HD2 ARG A 38 15.944 1.002 -2.735 1.00 25.00 H new ATOM 0 HD3 ARG A 38 15.169 -0.425 -3.394 1.00 25.00 H new ATOM 0 HE ARG A 38 17.047 -1.752 -2.810 1.00 25.00 H new ATOM 0 HH11 ARG A 38 17.647 1.655 -1.983 1.00 25.00 H new ATOM 0 HH12 ARG A 38 19.008 1.232 -0.938 1.00 25.00 H new ATOM 0 HH21 ARG A 38 18.760 -2.194 -1.497 1.00 25.00 H new ATOM 0 HH22 ARG A 38 19.621 -0.891 -0.671 1.00 25.00 H new ATOM 591 N SER A 39 13.991 2.020 -8.333 1.00 25.00 N ATOM 592 CA SER A 39 12.941 2.756 -9.033 1.00 25.00 C ATOM 593 C SER A 39 11.587 2.110 -8.775 1.00 25.00 C ATOM 594 O SER A 39 11.496 0.886 -8.727 1.00 25.00 O ATOM 595 CB SER A 39 13.256 2.763 -10.531 1.00 25.00 C ATOM 596 OG SER A 39 13.499 1.444 -10.990 1.00 25.00 O ATOM 0 H SER A 39 14.055 1.036 -8.596 1.00 25.00 H new ATOM 0 HA SER A 39 12.902 3.782 -8.667 1.00 25.00 H new ATOM 0 HB2 SER A 39 12.423 3.199 -11.082 1.00 25.00 H new ATOM 0 HB3 SER A 39 14.128 3.388 -10.723 1.00 25.00 H new ATOM 0 HG SER A 39 13.697 1.463 -11.950 1.00 25.00 H new ATOM 602 N ARG A 40 10.563 2.959 -8.623 1.00 25.00 N ATOM 603 CA ARG A 40 9.160 2.564 -8.354 1.00 25.00 C ATOM 604 C ARG A 40 8.949 1.724 -7.086 1.00 25.00 C ATOM 605 O ARG A 40 9.891 1.366 -6.386 1.00 25.00 O ATOM 606 CB ARG A 40 8.550 1.893 -9.620 1.00 25.00 C ATOM 607 CG ARG A 40 8.448 0.343 -9.620 1.00 25.00 C ATOM 608 CD ARG A 40 8.268 -0.197 -11.036 1.00 25.00 C ATOM 609 NE ARG A 40 7.860 -1.614 -11.015 1.00 25.00 N ATOM 610 CZ ARG A 40 7.753 -2.395 -12.087 1.00 25.00 C ATOM 611 NH1 ARG A 40 8.049 -1.967 -13.291 1.00 25.00 N ATOM 612 NH2 ARG A 40 7.344 -3.625 -11.948 1.00 25.00 N ATOM 0 H ARG A 40 10.683 3.970 -8.684 1.00 25.00 H new ATOM 0 HA ARG A 40 8.620 3.485 -8.136 1.00 25.00 H new ATOM 0 HB2 ARG A 40 7.549 2.298 -9.768 1.00 25.00 H new ATOM 0 HB3 ARG A 40 9.146 2.193 -10.482 1.00 25.00 H new ATOM 0 HG2 ARG A 40 9.348 -0.084 -9.177 1.00 25.00 H new ATOM 0 HG3 ARG A 40 7.608 0.031 -8.999 1.00 25.00 H new ATOM 0 HD2 ARG A 40 7.517 0.393 -11.561 1.00 25.00 H new ATOM 0 HD3 ARG A 40 9.201 -0.092 -11.590 1.00 25.00 H new ATOM 0 HE ARG A 40 7.643 -2.028 -10.108 1.00 25.00 H new ATOM 0 HH11 ARG A 40 8.372 -1.009 -13.427 1.00 25.00 H new ATOM 0 HH12 ARG A 40 7.956 -2.592 -14.092 1.00 25.00 H new ATOM 0 HH21 ARG A 40 7.109 -3.983 -11.022 1.00 25.00 H new ATOM 0 HH22 ARG A 40 7.259 -4.230 -12.765 1.00 25.00 H new ATOM 626 N GLY A 41 7.692 1.432 -6.780 1.00 25.00 N ATOM 627 CA GLY A 41 7.346 0.588 -5.651 1.00 25.00 C ATOM 628 C GLY A 41 6.698 1.388 -4.549 1.00 25.00 C ATOM 629 O GLY A 41 6.914 2.580 -4.447 1.00 25.00 O ATOM 0 H GLY A 41 6.888 1.773 -7.307 1.00 25.00 H new ATOM 0 HA2 GLY A 41 6.668 -0.201 -5.978 1.00 25.00 H new ATOM 0 HA3 GLY A 41 8.243 0.100 -5.270 1.00 25.00 H new ATOM 633 N ILE A 42 5.877 0.733 -3.748 1.00 25.00 N ATOM 634 CA ILE A 42 5.084 1.415 -2.729 1.00 25.00 C ATOM 635 C ILE A 42 5.928 2.227 -1.729 1.00 25.00 C ATOM 636 O ILE A 42 5.519 3.294 -1.297 1.00 25.00 O ATOM 637 CB ILE A 42 4.153 0.385 -2.007 1.00 25.00 C ATOM 638 CG1 ILE A 42 3.134 1.094 -1.112 1.00 25.00 C ATOM 639 CG2 ILE A 42 4.964 -0.658 -1.207 1.00 25.00 C ATOM 640 CD1 ILE A 42 2.044 1.837 -1.858 1.00 25.00 C ATOM 0 H ILE A 42 5.738 -0.277 -3.781 1.00 25.00 H new ATOM 0 HA ILE A 42 4.469 2.156 -3.240 1.00 25.00 H new ATOM 0 HB ILE A 42 3.605 -0.153 -2.781 1.00 25.00 H new ATOM 0 HG12 ILE A 42 2.670 0.356 -0.458 1.00 25.00 H new ATOM 0 HG13 ILE A 42 3.663 1.800 -0.471 1.00 25.00 H new ATOM 0 HG21 ILE A 42 4.281 -1.355 -0.721 1.00 25.00 H new ATOM 0 HG22 ILE A 42 5.620 -1.206 -1.884 1.00 25.00 H new ATOM 0 HG23 ILE A 42 5.564 -0.151 -0.451 1.00 25.00 H new ATOM 0 HD11 ILE A 42 1.369 2.307 -1.143 1.00 25.00 H new ATOM 0 HD12 ILE A 42 2.493 2.602 -2.491 1.00 25.00 H new ATOM 0 HD13 ILE A 42 1.485 1.136 -2.478 1.00 25.00 H new ATOM 652 N VAL A 43 7.138 1.776 -1.420 1.00 25.00 N ATOM 653 CA VAL A 43 8.022 2.535 -0.529 1.00 25.00 C ATOM 654 C VAL A 43 8.444 3.827 -1.221 1.00 25.00 C ATOM 655 O VAL A 43 8.514 4.877 -0.603 1.00 25.00 O ATOM 656 CB VAL A 43 9.279 1.707 -0.136 1.00 25.00 C ATOM 657 CG1 VAL A 43 10.282 2.554 0.670 1.00 25.00 C ATOM 658 CG2 VAL A 43 8.863 0.488 0.690 1.00 25.00 C ATOM 0 H VAL A 43 7.530 0.900 -1.766 1.00 25.00 H new ATOM 0 HA VAL A 43 7.476 2.764 0.386 1.00 25.00 H new ATOM 0 HB VAL A 43 9.766 1.383 -1.056 1.00 25.00 H new ATOM 0 HG11 VAL A 43 11.148 1.945 0.928 1.00 25.00 H new ATOM 0 HG12 VAL A 43 10.603 3.406 0.070 1.00 25.00 H new ATOM 0 HG13 VAL A 43 9.805 2.912 1.583 1.00 25.00 H new ATOM 0 HG21 VAL A 43 9.748 -0.087 0.961 1.00 25.00 H new ATOM 0 HG22 VAL A 43 8.353 0.818 1.595 1.00 25.00 H new ATOM 0 HG23 VAL A 43 8.190 -0.137 0.103 1.00 25.00 H new ATOM 668 N GLU A 44 8.698 3.774 -2.517 1.00 25.00 N ATOM 669 CA GLU A 44 9.088 4.975 -3.227 1.00 25.00 C ATOM 670 C GLU A 44 7.939 5.974 -3.265 1.00 25.00 C ATOM 671 O GLU A 44 8.172 7.165 -3.204 1.00 25.00 O ATOM 672 CB GLU A 44 9.537 4.679 -4.649 1.00 25.00 C ATOM 673 CG GLU A 44 10.780 5.454 -4.996 1.00 25.00 C ATOM 674 CD GLU A 44 11.008 5.547 -6.487 1.00 25.00 C ATOM 675 OE1 GLU A 44 10.201 5.987 -7.265 1.00 25.00 O ATOM 676 OE2 GLU A 44 12.159 5.116 -6.868 1.00 25.00 O ATOM 0 H GLU A 44 8.643 2.930 -3.088 1.00 25.00 H new ATOM 0 HA GLU A 44 9.931 5.401 -2.683 1.00 25.00 H new ATOM 0 HB2 GLU A 44 9.728 3.611 -4.759 1.00 25.00 H new ATOM 0 HB3 GLU A 44 8.739 4.934 -5.346 1.00 25.00 H new ATOM 0 HG2 GLU A 44 10.706 6.459 -4.580 1.00 25.00 H new ATOM 0 HG3 GLU A 44 11.643 4.979 -4.529 1.00 25.00 H new ATOM 683 N GLU A 45 6.713 5.493 -3.356 1.00 25.00 N ATOM 684 CA GLU A 45 5.564 6.385 -3.407 1.00 25.00 C ATOM 685 C GLU A 45 5.190 6.957 -2.044 1.00 25.00 C ATOM 686 O GLU A 45 4.791 8.096 -1.959 1.00 25.00 O ATOM 687 CB GLU A 45 4.333 5.666 -3.984 1.00 25.00 C ATOM 688 CG GLU A 45 4.528 5.012 -5.363 1.00 25.00 C ATOM 689 CD GLU A 45 5.108 5.951 -6.419 1.00 25.00 C ATOM 690 OE1 GLU A 45 5.898 5.451 -7.256 1.00 25.00 O ATOM 691 OE2 GLU A 45 4.844 7.172 -6.396 1.00 25.00 O ATOM 0 H GLU A 45 6.486 4.499 -3.396 1.00 25.00 H new ATOM 0 HA GLU A 45 5.864 7.209 -4.054 1.00 25.00 H new ATOM 0 HB2 GLU A 45 4.021 4.896 -3.278 1.00 25.00 H new ATOM 0 HB3 GLU A 45 3.516 6.384 -4.055 1.00 25.00 H new ATOM 0 HG2 GLU A 45 5.188 4.151 -5.255 1.00 25.00 H new ATOM 0 HG3 GLU A 45 3.567 4.636 -5.714 1.00 25.00 H new ATOM 698 N CYS A 46 5.267 6.151 -0.992 1.00 25.00 N ATOM 699 CA CYS A 46 4.781 6.566 0.330 1.00 25.00 C ATOM 700 C CYS A 46 5.841 6.986 1.351 1.00 25.00 C ATOM 701 O CYS A 46 5.498 7.495 2.411 1.00 25.00 O ATOM 702 CB CYS A 46 3.953 5.433 0.940 1.00 25.00 C ATOM 703 SG CYS A 46 2.431 5.049 0.012 1.00 25.00 S ATOM 0 H CYS A 46 5.658 5.210 -1.022 1.00 25.00 H new ATOM 0 HA CYS A 46 4.200 7.467 0.131 1.00 25.00 H new ATOM 0 HB2 CYS A 46 4.569 4.535 0.996 1.00 25.00 H new ATOM 0 HB3 CYS A 46 3.686 5.701 1.962 1.00 25.00 H new ATOM 708 N CYS A 47 7.114 6.742 1.062 1.00 25.00 N ATOM 709 CA CYS A 47 8.188 7.078 2.007 1.00 25.00 C ATOM 710 C CYS A 47 9.156 8.108 1.420 1.00 25.00 C ATOM 711 O CYS A 47 9.574 9.030 2.097 1.00 25.00 O ATOM 712 CB CYS A 47 8.961 5.811 2.386 1.00 25.00 C ATOM 713 SG CYS A 47 10.127 6.058 3.757 1.00 25.00 S ATOM 0 H CYS A 47 7.432 6.317 0.191 1.00 25.00 H new ATOM 0 HA CYS A 47 7.726 7.513 2.893 1.00 25.00 H new ATOM 0 HB2 CYS A 47 8.252 5.030 2.659 1.00 25.00 H new ATOM 0 HB3 CYS A 47 9.508 5.454 1.514 1.00 25.00 H new ATOM 718 N PHE A 48 9.524 7.932 0.157 1.00 25.00 N ATOM 719 CA PHE A 48 10.442 8.864 -0.509 1.00 25.00 C ATOM 720 C PHE A 48 9.704 10.138 -0.931 1.00 25.00 C ATOM 721 O PHE A 48 10.318 11.160 -1.222 1.00 25.00 O ATOM 722 CB PHE A 48 11.083 8.203 -1.725 1.00 25.00 C ATOM 723 CG PHE A 48 12.193 7.246 -1.382 1.00 25.00 C ATOM 724 CD1 PHE A 48 11.918 5.928 -0.971 1.00 25.00 C ATOM 725 CD2 PHE A 48 13.533 7.663 -1.483 1.00 25.00 C ATOM 726 CE1 PHE A 48 12.975 5.029 -0.678 1.00 25.00 C ATOM 727 CE2 PHE A 48 14.597 6.770 -1.188 1.00 25.00 C ATOM 728 CZ PHE A 48 14.314 5.453 -0.786 1.00 25.00 C ATOM 0 H PHE A 48 9.206 7.159 -0.428 1.00 25.00 H new ATOM 0 HA PHE A 48 11.226 9.134 0.198 1.00 25.00 H new ATOM 0 HB2 PHE A 48 10.315 7.668 -2.283 1.00 25.00 H new ATOM 0 HB3 PHE A 48 11.475 8.978 -2.384 1.00 25.00 H new ATOM 0 HD1 PHE A 48 10.894 5.599 -0.878 1.00 25.00 H new ATOM 0 HD2 PHE A 48 13.755 8.675 -1.789 1.00 25.00 H new ATOM 0 HE1 PHE A 48 12.753 4.017 -0.372 1.00 25.00 H new ATOM 0 HE2 PHE A 48 15.621 7.102 -1.272 1.00 25.00 H new ATOM 0 HZ PHE A 48 15.119 4.769 -0.561 1.00 25.00 H new ATOM 738 N ARG A 49 8.381 10.066 -0.926 1.00 25.00 N ATOM 739 CA ARG A 49 7.497 11.204 -1.185 1.00 25.00 C ATOM 740 C ARG A 49 6.188 10.789 -0.527 1.00 25.00 C ATOM 741 O ARG A 49 6.128 9.705 0.039 1.00 25.00 O ATOM 742 CB ARG A 49 7.318 11.470 -2.687 1.00 25.00 C ATOM 743 CG ARG A 49 6.841 10.269 -3.489 1.00 25.00 C ATOM 744 CD ARG A 49 6.760 10.551 -4.985 1.00 25.00 C ATOM 745 NE ARG A 49 6.795 9.308 -5.771 1.00 25.00 N ATOM 746 CZ ARG A 49 7.891 8.724 -6.239 1.00 25.00 C ATOM 747 NH1 ARG A 49 9.094 9.218 -6.050 1.00 25.00 N ATOM 748 NH2 ARG A 49 7.789 7.618 -6.917 1.00 25.00 N ATOM 0 H ARG A 49 7.877 9.199 -0.738 1.00 25.00 H new ATOM 0 HA ARG A 49 7.894 12.139 -0.791 1.00 25.00 H new ATOM 0 HB2 ARG A 49 6.604 12.284 -2.816 1.00 25.00 H new ATOM 0 HB3 ARG A 49 8.268 11.811 -3.098 1.00 25.00 H new ATOM 0 HG2 ARG A 49 7.518 9.432 -3.318 1.00 25.00 H new ATOM 0 HG3 ARG A 49 5.859 9.964 -3.128 1.00 25.00 H new ATOM 0 HD2 ARG A 49 5.842 11.096 -5.204 1.00 25.00 H new ATOM 0 HD3 ARG A 49 7.590 11.193 -5.281 1.00 25.00 H new ATOM 0 HE ARG A 49 5.903 8.857 -5.973 1.00 25.00 H new ATOM 0 HH11 ARG A 49 9.213 10.084 -5.525 1.00 25.00 H new ATOM 0 HH12 ARG A 49 9.909 8.735 -6.428 1.00 25.00 H new ATOM 0 HH21 ARG A 49 6.871 7.206 -7.086 1.00 25.00 H new ATOM 0 HH22 ARG A 49 8.627 7.163 -7.280 1.00 25.00 H new ATOM 762 N SER A 50 5.176 11.635 -0.571 1.00 25.00 N ATOM 763 CA SER A 50 3.874 11.305 0.009 1.00 25.00 C ATOM 764 C SER A 50 3.007 10.553 -0.998 1.00 25.00 C ATOM 765 O SER A 50 3.168 10.728 -2.208 1.00 25.00 O ATOM 766 CB SER A 50 3.143 12.584 0.413 1.00 25.00 C ATOM 767 OG SER A 50 3.928 13.331 1.333 1.00 25.00 O ATOM 0 H SER A 50 5.224 12.559 -1.001 1.00 25.00 H new ATOM 0 HA SER A 50 4.047 10.676 0.882 1.00 25.00 H new ATOM 0 HB2 SER A 50 2.935 13.187 -0.471 1.00 25.00 H new ATOM 0 HB3 SER A 50 2.182 12.335 0.863 1.00 25.00 H new ATOM 0 HG SER A 50 3.449 14.149 1.583 1.00 25.00 H new ATOM 773 N CYS A 51 2.058 9.783 -0.495 1.00 25.00 N ATOM 774 CA CYS A 51 1.116 9.057 -1.338 1.00 25.00 C ATOM 775 C CYS A 51 -0.293 9.268 -0.787 1.00 25.00 C ATOM 776 O CYS A 51 -0.466 9.931 0.229 1.00 25.00 O ATOM 777 CB CYS A 51 1.462 7.561 -1.363 1.00 25.00 C ATOM 778 SG CYS A 51 1.293 6.714 0.237 1.00 25.00 S ATOM 0 H CYS A 51 1.916 9.642 0.505 1.00 25.00 H new ATOM 0 HA CYS A 51 1.172 9.431 -2.360 1.00 25.00 H new ATOM 0 HB2 CYS A 51 0.819 7.066 -2.090 1.00 25.00 H new ATOM 0 HB3 CYS A 51 2.488 7.445 -1.713 1.00 25.00 H new ATOM 783 N ASP A 52 -1.276 8.709 -1.474 1.00 25.00 N ATOM 784 CA ASP A 52 -2.685 8.834 -1.104 1.00 25.00 C ATOM 785 C ASP A 52 -3.311 7.440 -1.076 1.00 25.00 C ATOM 786 O ASP A 52 -2.762 6.497 -1.639 1.00 25.00 O ATOM 787 CB ASP A 52 -3.424 9.701 -2.121 1.00 25.00 C ATOM 788 CG ASP A 52 -4.910 9.764 -1.848 1.00 25.00 C ATOM 789 OD1 ASP A 52 -5.287 10.090 -0.705 1.00 25.00 O ATOM 790 OD2 ASP A 52 -5.687 9.294 -2.709 1.00 25.00 O ATOM 0 H ASP A 52 -1.122 8.150 -2.313 1.00 25.00 H new ATOM 0 HA ASP A 52 -2.761 9.302 -0.123 1.00 25.00 H new ATOM 0 HB2 ASP A 52 -3.011 10.709 -2.104 1.00 25.00 H new ATOM 0 HB3 ASP A 52 -3.257 9.305 -3.123 1.00 25.00 H new ATOM 795 N LEU A 53 -4.479 7.325 -0.454 1.00 25.00 N ATOM 796 CA LEU A 53 -5.237 6.080 -0.385 1.00 25.00 C ATOM 797 C LEU A 53 -5.537 5.507 -1.769 1.00 25.00 C ATOM 798 O LEU A 53 -5.430 4.303 -1.980 1.00 25.00 O ATOM 799 CB LEU A 53 -6.562 6.361 0.338 1.00 25.00 C ATOM 800 CG LEU A 53 -7.564 5.199 0.463 1.00 25.00 C ATOM 801 CD1 LEU A 53 -6.999 4.053 1.278 1.00 25.00 C ATOM 802 CD2 LEU A 53 -8.843 5.715 1.122 1.00 25.00 C ATOM 0 H LEU A 53 -4.933 8.104 0.023 1.00 25.00 H new ATOM 0 HA LEU A 53 -4.637 5.345 0.151 1.00 25.00 H new ATOM 0 HB2 LEU A 53 -6.329 6.713 1.343 1.00 25.00 H new ATOM 0 HB3 LEU A 53 -7.060 7.181 -0.180 1.00 25.00 H new ATOM 0 HG LEU A 53 -7.775 4.820 -0.537 1.00 25.00 H new ATOM 0 HD11 LEU A 53 -7.737 3.254 1.342 1.00 25.00 H new ATOM 0 HD12 LEU A 53 -6.096 3.676 0.798 1.00 25.00 H new ATOM 0 HD13 LEU A 53 -6.757 4.405 2.281 1.00 25.00 H new ATOM 0 HD21 LEU A 53 -9.559 4.899 1.215 1.00 25.00 H new ATOM 0 HD22 LEU A 53 -8.610 6.107 2.112 1.00 25.00 H new ATOM 0 HD23 LEU A 53 -9.274 6.507 0.510 1.00 25.00 H new ATOM 814 N ALA A 54 -5.909 6.354 -2.717 1.00 25.00 N ATOM 815 CA ALA A 54 -6.245 5.891 -4.067 1.00 25.00 C ATOM 816 C ALA A 54 -5.021 5.268 -4.740 1.00 25.00 C ATOM 817 O ALA A 54 -5.120 4.244 -5.411 1.00 25.00 O ATOM 818 CB ALA A 54 -6.776 7.061 -4.900 1.00 25.00 C ATOM 0 H ALA A 54 -5.988 7.362 -2.584 1.00 25.00 H new ATOM 0 HA ALA A 54 -7.020 5.128 -3.995 1.00 25.00 H new ATOM 0 HB1 ALA A 54 -7.024 6.711 -5.902 1.00 25.00 H new ATOM 0 HB2 ALA A 54 -7.669 7.469 -4.427 1.00 25.00 H new ATOM 0 HB3 ALA A 54 -6.013 7.837 -4.965 1.00 25.00 H new ATOM 824 N LEU A 55 -3.863 5.878 -4.538 1.00 25.00 N ATOM 825 CA LEU A 55 -2.621 5.374 -5.094 1.00 25.00 C ATOM 826 C LEU A 55 -2.247 4.081 -4.377 1.00 25.00 C ATOM 827 O LEU A 55 -1.899 3.094 -5.003 1.00 25.00 O ATOM 828 CB LEU A 55 -1.538 6.444 -4.919 1.00 25.00 C ATOM 829 CG LEU A 55 -0.069 6.028 -5.055 1.00 25.00 C ATOM 830 CD1 LEU A 55 0.244 5.196 -6.288 1.00 25.00 C ATOM 831 CD2 LEU A 55 0.770 7.291 -5.052 1.00 25.00 C ATOM 0 H LEU A 55 -3.760 6.731 -3.988 1.00 25.00 H new ATOM 0 HA LEU A 55 -2.727 5.157 -6.157 1.00 25.00 H new ATOM 0 HB2 LEU A 55 -1.729 7.231 -5.649 1.00 25.00 H new ATOM 0 HB3 LEU A 55 -1.667 6.887 -3.932 1.00 25.00 H new ATOM 0 HG LEU A 55 0.164 5.377 -4.213 1.00 25.00 H new ATOM 0 HD11 LEU A 55 1.305 4.949 -6.300 1.00 25.00 H new ATOM 0 HD12 LEU A 55 -0.342 4.277 -6.266 1.00 25.00 H new ATOM 0 HD13 LEU A 55 -0.006 5.765 -7.184 1.00 25.00 H new ATOM 0 HD21 LEU A 55 1.824 7.028 -5.148 1.00 25.00 H new ATOM 0 HD22 LEU A 55 0.477 7.925 -5.889 1.00 25.00 H new ATOM 0 HD23 LEU A 55 0.614 7.829 -4.117 1.00 25.00 H new ATOM 843 N LEU A 56 -2.354 4.063 -3.063 1.00 25.00 N ATOM 844 CA LEU A 56 -2.007 2.872 -2.298 1.00 25.00 C ATOM 845 C LEU A 56 -2.854 1.668 -2.713 1.00 25.00 C ATOM 846 O LEU A 56 -2.358 0.547 -2.790 1.00 25.00 O ATOM 847 CB LEU A 56 -2.138 3.174 -0.802 1.00 25.00 C ATOM 848 CG LEU A 56 -1.278 2.265 0.081 1.00 25.00 C ATOM 849 CD1 LEU A 56 -0.691 3.078 1.235 1.00 25.00 C ATOM 850 CD2 LEU A 56 -2.054 1.087 0.638 1.00 25.00 C ATOM 0 H LEU A 56 -2.676 4.852 -2.502 1.00 25.00 H new ATOM 0 HA LEU A 56 -0.972 2.604 -2.511 1.00 25.00 H new ATOM 0 HB2 LEU A 56 -1.858 4.212 -0.623 1.00 25.00 H new ATOM 0 HB3 LEU A 56 -3.183 3.070 -0.508 1.00 25.00 H new ATOM 0 HG LEU A 56 -0.484 1.863 -0.548 1.00 25.00 H new ATOM 0 HD11 LEU A 56 -0.079 2.430 1.863 1.00 25.00 H new ATOM 0 HD12 LEU A 56 -0.075 3.884 0.836 1.00 25.00 H new ATOM 0 HD13 LEU A 56 -1.500 3.501 1.830 1.00 25.00 H new ATOM 0 HD21 LEU A 56 -1.395 0.477 1.256 1.00 25.00 H new ATOM 0 HD22 LEU A 56 -2.884 1.452 1.243 1.00 25.00 H new ATOM 0 HD23 LEU A 56 -2.441 0.485 -0.184 1.00 25.00 H new ATOM 862 N GLU A 57 -4.111 1.916 -3.054 1.00 25.00 N ATOM 863 CA GLU A 57 -5.016 0.869 -3.516 1.00 25.00 C ATOM 864 C GLU A 57 -4.515 0.177 -4.799 1.00 25.00 C ATOM 865 O GLU A 57 -4.810 -0.998 -5.027 1.00 25.00 O ATOM 866 CB GLU A 57 -6.407 1.467 -3.763 1.00 25.00 C ATOM 867 CG GLU A 57 -7.491 0.421 -3.962 1.00 25.00 C ATOM 868 CD GLU A 57 -8.871 1.018 -4.011 1.00 25.00 C ATOM 869 OE1 GLU A 57 -9.230 1.794 -4.846 1.00 25.00 O ATOM 870 OE2 GLU A 57 -9.649 0.594 -3.064 1.00 25.00 O ATOM 0 H GLU A 57 -4.532 2.844 -3.019 1.00 25.00 H new ATOM 0 HA GLU A 57 -5.061 0.109 -2.735 1.00 25.00 H new ATOM 0 HB2 GLU A 57 -6.676 2.101 -2.918 1.00 25.00 H new ATOM 0 HB3 GLU A 57 -6.367 2.109 -4.643 1.00 25.00 H new ATOM 0 HG2 GLU A 57 -7.301 -0.122 -4.888 1.00 25.00 H new ATOM 0 HG3 GLU A 57 -7.442 -0.306 -3.151 1.00 25.00 H new ATOM 878 N THR A 58 -3.752 0.876 -5.626 1.00 25.00 N ATOM 879 CA THR A 58 -3.276 0.304 -6.892 1.00 25.00 C ATOM 880 C THR A 58 -2.209 -0.768 -6.695 1.00 25.00 C ATOM 881 O THR A 58 -1.916 -1.527 -7.610 1.00 25.00 O ATOM 882 CB THR A 58 -2.713 1.391 -7.841 1.00 25.00 C ATOM 883 OG1 THR A 58 -1.491 1.917 -7.322 1.00 25.00 O ATOM 884 CG2 THR A 58 -3.707 2.532 -8.008 1.00 25.00 C ATOM 0 H THR A 58 -3.447 1.834 -5.452 1.00 25.00 H new ATOM 0 HA THR A 58 -4.155 -0.158 -7.342 1.00 25.00 H new ATOM 0 HB THR A 58 -2.533 0.926 -8.810 1.00 25.00 H new ATOM 0 HG1 THR A 58 -1.674 2.420 -6.501 1.00 25.00 H new ATOM 0 HG21 THR A 58 -3.289 3.283 -8.679 1.00 25.00 H new ATOM 0 HG22 THR A 58 -4.636 2.147 -8.428 1.00 25.00 H new ATOM 0 HG23 THR A 58 -3.908 2.984 -7.037 1.00 25.00 H new ATOM 892 N TYR A 59 -1.624 -0.822 -5.505 1.00 25.00 N ATOM 893 CA TYR A 59 -0.596 -1.828 -5.208 1.00 25.00 C ATOM 894 C TYR A 59 -1.213 -3.099 -4.628 1.00 25.00 C ATOM 895 O TYR A 59 -0.492 -4.065 -4.346 1.00 25.00 O ATOM 896 CB TYR A 59 0.444 -1.250 -4.243 1.00 25.00 C ATOM 897 CG TYR A 59 1.511 -0.448 -4.958 1.00 25.00 C ATOM 898 CD1 TYR A 59 1.345 0.930 -5.203 1.00 25.00 C ATOM 899 CD2 TYR A 59 2.697 -1.071 -5.410 1.00 25.00 C ATOM 900 CE1 TYR A 59 2.351 1.680 -5.877 1.00 25.00 C ATOM 901 CE2 TYR A 59 3.697 -0.331 -6.098 1.00 25.00 C ATOM 902 CZ TYR A 59 3.516 1.044 -6.313 1.00 25.00 C ATOM 903 OH TYR A 59 4.489 1.758 -6.968 1.00 25.00 O ATOM 0 H TYR A 59 -1.837 -0.191 -4.733 1.00 25.00 H new ATOM 0 HA TYR A 59 -0.104 -2.094 -6.143 1.00 25.00 H new ATOM 0 HB2 TYR A 59 -0.056 -0.614 -3.512 1.00 25.00 H new ATOM 0 HB3 TYR A 59 0.914 -2.063 -3.690 1.00 25.00 H new ATOM 0 HD1 TYR A 59 0.442 1.424 -4.875 1.00 25.00 H new ATOM 0 HD2 TYR A 59 2.846 -2.125 -5.230 1.00 25.00 H new ATOM 0 HE1 TYR A 59 2.214 2.737 -6.050 1.00 25.00 H new ATOM 0 HE2 TYR A 59 4.590 -0.824 -6.453 1.00 25.00 H new ATOM 0 HH TYR A 59 4.332 2.717 -6.841 1.00 25.00 H new ATOM 913 N CYS A 60 -2.529 -3.122 -4.459 1.00 25.00 N ATOM 914 CA CYS A 60 -3.207 -4.320 -3.964 1.00 25.00 C ATOM 915 C CYS A 60 -3.237 -5.412 -5.034 1.00 25.00 C ATOM 916 O CYS A 60 -3.353 -5.139 -6.225 1.00 25.00 O ATOM 917 CB CYS A 60 -4.638 -3.978 -3.552 1.00 25.00 C ATOM 918 SG CYS A 60 -4.761 -2.728 -2.233 1.00 25.00 S ATOM 0 H CYS A 60 -3.146 -2.334 -4.655 1.00 25.00 H new ATOM 0 HA CYS A 60 -2.653 -4.689 -3.101 1.00 25.00 H new ATOM 0 HB2 CYS A 60 -5.180 -3.620 -4.427 1.00 25.00 H new ATOM 0 HB3 CYS A 60 -5.136 -4.889 -3.220 1.00 25.00 H new ATOM 923 N ALA A 61 -3.182 -6.657 -4.591 1.00 25.00 N ATOM 924 CA ALA A 61 -3.302 -7.792 -5.492 1.00 25.00 C ATOM 925 C ALA A 61 -4.790 -8.137 -5.604 1.00 25.00 C ATOM 926 O ALA A 61 -5.606 -7.705 -4.792 1.00 25.00 O ATOM 927 CB ALA A 61 -2.506 -8.969 -4.959 1.00 25.00 C ATOM 0 H ALA A 61 -3.055 -6.908 -3.611 1.00 25.00 H new ATOM 0 HA ALA A 61 -2.902 -7.550 -6.477 1.00 25.00 H new ATOM 0 HB1 ALA A 61 -2.603 -9.813 -5.642 1.00 25.00 H new ATOM 0 HB2 ALA A 61 -1.456 -8.690 -4.875 1.00 25.00 H new ATOM 0 HB3 ALA A 61 -2.886 -9.251 -3.977 1.00 25.00 H new ATOM 933 N THR A 62 -5.138 -8.906 -6.624 1.00 25.00 N ATOM 934 CA THR A 62 -6.506 -9.286 -6.870 1.00 25.00 C ATOM 935 C THR A 62 -6.590 -10.812 -6.766 1.00 25.00 C ATOM 936 O THR A 62 -5.642 -11.509 -7.120 1.00 25.00 O ATOM 937 CB THR A 62 -6.950 -8.843 -8.283 1.00 25.00 C ATOM 938 OG1 THR A 62 -6.001 -9.310 -9.241 1.00 25.00 O ATOM 939 CG2 THR A 62 -7.003 -7.330 -8.390 1.00 25.00 C ATOM 0 H THR A 62 -4.473 -9.281 -7.301 1.00 25.00 H new ATOM 0 HA THR A 62 -7.160 -8.806 -6.142 1.00 25.00 H new ATOM 0 HB THR A 62 -7.941 -9.257 -8.469 1.00 25.00 H new ATOM 0 HG1 THR A 62 -6.279 -9.033 -10.139 1.00 25.00 H new ATOM 0 HG21 THR A 62 -7.318 -7.047 -9.394 1.00 25.00 H new ATOM 0 HG22 THR A 62 -7.714 -6.939 -7.663 1.00 25.00 H new ATOM 0 HG23 THR A 62 -6.015 -6.916 -8.190 1.00 25.00 H new ATOM 947 N PRO A 63 -7.718 -11.347 -6.267 1.00 25.00 N ATOM 948 CA PRO A 63 -7.888 -12.802 -6.178 1.00 25.00 C ATOM 949 C PRO A 63 -7.836 -13.485 -7.541 1.00 25.00 C ATOM 950 O PRO A 63 -8.379 -12.987 -8.525 1.00 25.00 O ATOM 951 CB PRO A 63 -9.293 -12.970 -5.597 1.00 25.00 C ATOM 952 CG PRO A 63 -9.626 -11.677 -4.967 1.00 25.00 C ATOM 953 CD PRO A 63 -8.902 -10.631 -5.772 1.00 25.00 C ATOM 0 HA PRO A 63 -7.092 -13.251 -5.583 1.00 25.00 H new ATOM 0 HB2 PRO A 63 -10.011 -13.221 -6.378 1.00 25.00 H new ATOM 0 HB3 PRO A 63 -9.320 -13.779 -4.867 1.00 25.00 H new ATOM 0 HG2 PRO A 63 -10.702 -11.503 -4.977 1.00 25.00 H new ATOM 0 HG3 PRO A 63 -9.309 -11.657 -3.924 1.00 25.00 H new ATOM 0 HD2 PRO A 63 -9.517 -10.256 -6.590 1.00 25.00 H new ATOM 0 HD3 PRO A 63 -8.626 -9.772 -5.160 1.00 25.00 H new ATOM 961 N ALA A 64 -7.244 -14.664 -7.571 1.00 25.00 N ATOM 962 CA ALA A 64 -7.128 -15.447 -8.797 1.00 25.00 C ATOM 963 C ALA A 64 -8.141 -16.597 -8.779 1.00 25.00 C ATOM 964 O ALA A 64 -7.833 -17.687 -8.322 1.00 25.00 O ATOM 965 CB ALA A 64 -5.690 -15.991 -8.940 1.00 25.00 C ATOM 0 H ALA A 64 -6.830 -15.109 -6.752 1.00 25.00 H new ATOM 0 HA ALA A 64 -7.343 -14.808 -9.654 1.00 25.00 H new ATOM 0 HB1 ALA A 64 -5.611 -16.574 -9.857 1.00 25.00 H new ATOM 0 HB2 ALA A 64 -4.988 -15.158 -8.978 1.00 25.00 H new ATOM 0 HB3 ALA A 64 -5.454 -16.625 -8.085 1.00 25.00 H new ATOM 971 N LYS A 65 -9.343 -16.323 -9.275 1.00 25.00 N ATOM 972 CA LYS A 65 -10.421 -17.333 -9.365 1.00 25.00 C ATOM 973 C LYS A 65 -10.691 -18.003 -8.001 1.00 25.00 C ATOM 974 O LYS A 65 -10.812 -19.216 -7.905 1.00 25.00 O ATOM 975 CB LYS A 65 -10.060 -18.393 -10.421 1.00 25.00 C ATOM 976 CG LYS A 65 -11.259 -19.194 -10.949 1.00 25.00 C ATOM 977 CD LYS A 65 -10.911 -20.673 -11.137 1.00 25.00 C ATOM 978 CE LYS A 65 -9.863 -20.899 -12.230 1.00 25.00 C ATOM 979 NZ LYS A 65 -9.573 -22.365 -12.412 1.00 25.00 N ATOM 0 H LYS A 65 -9.608 -15.403 -9.627 1.00 25.00 H new ATOM 0 HA LYS A 65 -11.336 -16.822 -9.665 1.00 25.00 H new ATOM 0 HB2 LYS A 65 -9.569 -17.900 -11.260 1.00 25.00 H new ATOM 0 HB3 LYS A 65 -9.337 -19.086 -9.991 1.00 25.00 H new ATOM 0 HG2 LYS A 65 -12.093 -19.102 -10.254 1.00 25.00 H new ATOM 0 HG3 LYS A 65 -11.588 -18.774 -11.899 1.00 25.00 H new ATOM 0 HD2 LYS A 65 -10.541 -21.077 -10.195 1.00 25.00 H new ATOM 0 HD3 LYS A 65 -11.816 -21.226 -11.387 1.00 25.00 H new ATOM 0 HE2 LYS A 65 -10.217 -20.476 -13.170 1.00 25.00 H new ATOM 0 HE3 LYS A 65 -8.944 -20.373 -11.971 1.00 25.00 H new ATOM 0 HZ1 LYS A 65 -8.860 -22.488 -13.159 1.00 25.00 H new ATOM 0 HZ2 LYS A 65 -9.213 -22.761 -11.520 1.00 25.00 H new ATOM 0 HZ3 LYS A 65 -10.446 -22.861 -12.683 1.00 25.00 H new ATOM 993 N SER A 66 -10.774 -17.179 -6.962 1.00 25.00 N ATOM 994 CA SER A 66 -10.994 -17.672 -5.589 1.00 25.00 C ATOM 995 C SER A 66 -12.204 -18.589 -5.484 1.00 25.00 C ATOM 996 O SER A 66 -12.153 -19.667 -4.901 1.00 25.00 O ATOM 997 CB SER A 66 -11.158 -16.487 -4.633 1.00 25.00 C ATOM 998 OG SER A 66 -11.426 -16.916 -3.312 1.00 25.00 O ATOM 0 H SER A 66 -10.693 -16.165 -7.035 1.00 25.00 H new ATOM 0 HA SER A 66 -10.118 -18.260 -5.313 1.00 25.00 H new ATOM 0 HB2 SER A 66 -10.251 -15.883 -4.643 1.00 25.00 H new ATOM 0 HB3 SER A 66 -11.970 -15.848 -4.980 1.00 25.00 H new ATOM 0 HG SER A 66 -11.523 -16.135 -2.728 1.00 25.00 H new ATOM 1004 N GLU A 67 -13.298 -18.139 -6.086 1.00 25.00 N ATOM 1005 CA GLU A 67 -14.549 -18.900 -6.185 1.00 25.00 C ATOM 1006 C GLU A 67 -15.122 -18.799 -7.606 1.00 25.00 C ATOM 1007 O GLU A 67 -14.546 -19.586 -8.453 1.00 25.00 O ATOM 1008 CB GLU A 67 -15.580 -18.485 -5.095 1.00 25.00 C ATOM 1009 CG GLU A 67 -15.113 -18.914 -3.698 1.00 25.00 C ATOM 1010 CD GLU A 67 -16.189 -18.695 -2.670 1.00 25.00 C ATOM 1011 OE1 GLU A 67 -17.307 -19.144 -2.744 1.00 25.00 O ATOM 1012 OE2 GLU A 67 -15.808 -17.984 -1.663 1.00 25.00 O ATOM 0 H GLU A 67 -13.347 -17.221 -6.528 1.00 25.00 H new ATOM 0 HA GLU A 67 -14.323 -19.949 -5.991 1.00 25.00 H new ATOM 0 HB2 GLU A 67 -15.722 -17.405 -5.118 1.00 25.00 H new ATOM 0 HB3 GLU A 67 -16.547 -18.939 -5.313 1.00 25.00 H new ATOM 0 HG2 GLU A 67 -14.831 -19.967 -3.714 1.00 25.00 H new ATOM 0 HG3 GLU A 67 -14.222 -18.350 -3.421 1.00 25.00 H new TER 1019 GLU A 67