USER MOD reduce.3.24.130724 H: found=0, std=0, add=400, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 399 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 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 30:sc= -0.0641 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 THR OG1 : rot 70:sc= -0.871 USER MOD Single : A 12 GLN : amide:sc= -3.34! C(o=-3.3!,f=-3.8!) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -1 X(o=-1,f=-1.4!) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 174:sc= 0.00549 (180deg=0.00361) USER MOD Single : A 29 ASN : amide:sc= -1.57 X(o=-1.6,f=-1.3) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.0675 F(o=-0.69,f=-0.068) USER MOD Single : A 37 LYS NZ :NH3+ -162:sc= -0.0252 (180deg=-0.257) USER MOD Single : A 42 SER OG : rot 24:sc= -0.895 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 0.860 -11.111 -9.523 1.00 0.00 N ATOM 2 CA GLY A 1 -0.183 -11.194 -10.582 1.00 0.00 C ATOM 3 C GLY A 1 -0.920 -9.883 -10.774 1.00 0.00 C ATOM 4 O GLY A 1 -1.036 -9.387 -11.894 1.00 0.00 O ATOM 0 H1 GLY A 1 1.335 -12.032 -9.430 1.00 0.00 H new ATOM 0 H2 GLY A 1 1.559 -10.385 -9.780 1.00 0.00 H new ATOM 0 H3 GLY A 1 0.416 -10.858 -8.617 1.00 0.00 H new ATOM 0 HA2 GLY A 1 0.282 -11.487 -11.523 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -0.898 -11.975 -10.323 1.00 0.00 H new ATOM 9 N SER A 2 -1.420 -9.322 -9.677 1.00 0.00 N ATOM 10 CA SER A 2 -2.150 -8.060 -9.729 1.00 0.00 C ATOM 11 C SER A 2 -1.534 -7.036 -8.781 1.00 0.00 C ATOM 12 O SER A 2 -1.299 -5.889 -9.158 1.00 0.00 O ATOM 13 CB SER A 2 -3.622 -8.285 -9.376 1.00 0.00 C ATOM 14 OG SER A 2 -4.452 -8.107 -10.511 1.00 0.00 O ATOM 0 H SER A 2 -1.333 -9.721 -8.742 1.00 0.00 H new ATOM 0 HA SER A 2 -2.084 -7.670 -10.745 1.00 0.00 H new ATOM 0 HB2 SER A 2 -3.754 -9.292 -8.979 1.00 0.00 H new ATOM 0 HB3 SER A 2 -3.921 -7.591 -8.591 1.00 0.00 H new ATOM 0 HG SER A 2 -5.387 -8.258 -10.259 1.00 0.00 H new ATOM 20 N ALA A 3 -1.276 -7.460 -7.547 1.00 0.00 N ATOM 21 CA ALA A 3 -0.688 -6.580 -6.545 1.00 0.00 C ATOM 22 C ALA A 3 0.579 -7.191 -5.951 1.00 0.00 C ATOM 23 O ALA A 3 1.688 -6.889 -6.392 1.00 0.00 O ATOM 24 CB ALA A 3 -1.703 -6.277 -5.451 1.00 0.00 C ATOM 0 H ALA A 3 -1.465 -8.407 -7.218 1.00 0.00 H new ATOM 0 HA ALA A 3 -0.409 -5.646 -7.032 1.00 0.00 H new ATOM 0 HB1 ALA A 3 -1.252 -5.619 -4.708 1.00 0.00 H new ATOM 0 HB2 ALA A 3 -2.574 -5.788 -5.888 1.00 0.00 H new ATOM 0 HB3 ALA A 3 -2.011 -7.207 -4.973 1.00 0.00 H new ATOM 30 N ASP A 4 0.411 -8.046 -4.945 1.00 0.00 N ATOM 31 CA ASP A 4 1.544 -8.690 -4.289 1.00 0.00 C ATOM 32 C ASP A 4 2.558 -7.648 -3.837 1.00 0.00 C ATOM 33 O ASP A 4 3.758 -7.776 -4.083 1.00 0.00 O ATOM 34 CB ASP A 4 2.206 -9.698 -5.232 1.00 0.00 C ATOM 35 CG ASP A 4 2.580 -10.988 -4.529 1.00 0.00 C ATOM 36 OD1 ASP A 4 2.666 -12.033 -5.209 1.00 0.00 O ATOM 37 OD2 ASP A 4 2.789 -10.954 -3.298 1.00 0.00 O ATOM 0 H ASP A 4 -0.499 -8.308 -4.567 1.00 0.00 H new ATOM 0 HA ASP A 4 1.177 -9.223 -3.412 1.00 0.00 H new ATOM 0 HB2 ASP A 4 1.528 -9.920 -6.056 1.00 0.00 H new ATOM 0 HB3 ASP A 4 3.100 -9.252 -5.667 1.00 0.00 H new ATOM 42 N TYR A 5 2.056 -6.609 -3.182 1.00 0.00 N ATOM 43 CA TYR A 5 2.898 -5.525 -2.697 1.00 0.00 C ATOM 44 C TYR A 5 4.001 -6.041 -1.785 1.00 0.00 C ATOM 45 O TYR A 5 5.084 -5.461 -1.715 1.00 0.00 O ATOM 46 CB TYR A 5 2.049 -4.498 -1.958 1.00 0.00 C ATOM 47 CG TYR A 5 0.800 -4.111 -2.706 1.00 0.00 C ATOM 48 CD1 TYR A 5 -0.432 -4.664 -2.377 1.00 0.00 C ATOM 49 CD2 TYR A 5 0.852 -3.191 -3.739 1.00 0.00 C ATOM 50 CE1 TYR A 5 -1.576 -4.305 -3.061 1.00 0.00 C ATOM 51 CE2 TYR A 5 -0.283 -2.827 -4.426 1.00 0.00 C ATOM 52 CZ TYR A 5 -1.497 -3.384 -4.086 1.00 0.00 C ATOM 53 OH TYR A 5 -2.634 -3.023 -4.772 1.00 0.00 O ATOM 0 H TYR A 5 1.064 -6.495 -2.974 1.00 0.00 H new ATOM 0 HA TYR A 5 3.370 -5.054 -3.560 1.00 0.00 H new ATOM 0 HB2 TYR A 5 1.771 -4.900 -0.983 1.00 0.00 H new ATOM 0 HB3 TYR A 5 2.647 -3.605 -1.776 1.00 0.00 H new ATOM 0 HD1 TYR A 5 -0.495 -5.385 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 5 1.800 -2.751 -4.010 1.00 0.00 H new ATOM 0 HE1 TYR A 5 -2.527 -4.742 -2.796 1.00 0.00 H new ATOM 0 HE2 TYR A 5 -0.223 -2.107 -5.229 1.00 0.00 H new ATOM 0 HH TYR A 5 -3.410 -3.091 -4.178 1.00 0.00 H new ATOM 63 N SER A 6 3.720 -7.137 -1.089 1.00 0.00 N ATOM 64 CA SER A 6 4.690 -7.733 -0.180 1.00 0.00 C ATOM 65 C SER A 6 6.035 -7.938 -0.877 1.00 0.00 C ATOM 66 O SER A 6 7.080 -7.986 -0.227 1.00 0.00 O ATOM 67 CB SER A 6 4.154 -9.061 0.357 1.00 0.00 C ATOM 68 OG SER A 6 5.001 -9.584 1.365 1.00 0.00 O ATOM 0 H SER A 6 2.828 -7.630 -1.137 1.00 0.00 H new ATOM 0 HA SER A 6 4.847 -7.052 0.657 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.152 -8.916 0.760 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.069 -9.779 -0.459 1.00 0.00 H new ATOM 0 HG SER A 6 4.635 -10.432 1.692 1.00 0.00 H new ATOM 74 N SER A 7 6.001 -8.045 -2.203 1.00 0.00 N ATOM 75 CA SER A 7 7.215 -8.227 -2.991 1.00 0.00 C ATOM 76 C SER A 7 7.610 -6.925 -3.687 1.00 0.00 C ATOM 77 O SER A 7 8.772 -6.727 -4.040 1.00 0.00 O ATOM 78 CB SER A 7 7.014 -9.333 -4.028 1.00 0.00 C ATOM 79 OG SER A 7 8.232 -9.647 -4.681 1.00 0.00 O ATOM 0 H SER A 7 5.144 -8.009 -2.754 1.00 0.00 H new ATOM 0 HA SER A 7 8.019 -8.516 -2.314 1.00 0.00 H new ATOM 0 HB2 SER A 7 6.618 -10.224 -3.541 1.00 0.00 H new ATOM 0 HB3 SER A 7 6.274 -9.016 -4.763 1.00 0.00 H new ATOM 0 HG SER A 7 8.077 -10.358 -5.338 1.00 0.00 H new ATOM 85 N LEU A 8 6.634 -6.037 -3.879 1.00 0.00 N ATOM 86 CA LEU A 8 6.876 -4.753 -4.528 1.00 0.00 C ATOM 87 C LEU A 8 7.911 -3.940 -3.748 1.00 0.00 C ATOM 88 O LEU A 8 8.659 -4.491 -2.940 1.00 0.00 O ATOM 89 CB LEU A 8 5.561 -3.976 -4.646 1.00 0.00 C ATOM 90 CG LEU A 8 5.035 -3.792 -6.071 1.00 0.00 C ATOM 91 CD1 LEU A 8 3.877 -4.742 -6.334 1.00 0.00 C ATOM 92 CD2 LEU A 8 4.601 -2.352 -6.301 1.00 0.00 C ATOM 0 H LEU A 8 5.667 -6.186 -3.593 1.00 0.00 H new ATOM 0 HA LEU A 8 7.272 -4.933 -5.527 1.00 0.00 H new ATOM 0 HB2 LEU A 8 4.800 -4.491 -4.059 1.00 0.00 H new ATOM 0 HB3 LEU A 8 5.698 -2.992 -4.197 1.00 0.00 H new ATOM 0 HG LEU A 8 5.841 -4.023 -6.767 1.00 0.00 H new ATOM 0 HD11 LEU A 8 3.513 -4.599 -7.352 1.00 0.00 H new ATOM 0 HD12 LEU A 8 4.215 -5.771 -6.210 1.00 0.00 H new ATOM 0 HD13 LEU A 8 3.071 -4.538 -5.629 1.00 0.00 H new ATOM 0 HD21 LEU A 8 4.230 -2.242 -7.320 1.00 0.00 H new ATOM 0 HD22 LEU A 8 3.810 -2.094 -5.597 1.00 0.00 H new ATOM 0 HD23 LEU A 8 5.452 -1.687 -6.151 1.00 0.00 H new ATOM 104 N THR A 9 7.948 -2.630 -3.987 1.00 0.00 N ATOM 105 CA THR A 9 8.890 -1.758 -3.297 1.00 0.00 C ATOM 106 C THR A 9 8.154 -0.743 -2.432 1.00 0.00 C ATOM 107 O THR A 9 6.962 -0.498 -2.616 1.00 0.00 O ATOM 108 CB THR A 9 9.798 -1.026 -4.295 1.00 0.00 C ATOM 109 OG1 THR A 9 10.219 0.223 -3.767 1.00 0.00 O ATOM 110 CG2 THR A 9 9.143 -0.756 -5.633 1.00 0.00 C ATOM 0 H THR A 9 7.338 -2.153 -4.651 1.00 0.00 H new ATOM 0 HA THR A 9 9.510 -2.386 -2.657 1.00 0.00 H new ATOM 0 HB THR A 9 10.640 -1.699 -4.455 1.00 0.00 H new ATOM 0 HG1 THR A 9 10.845 0.072 -3.029 1.00 0.00 H new ATOM 0 HG21 THR A 9 9.846 -0.236 -6.284 1.00 0.00 H new ATOM 0 HG22 THR A 9 8.852 -1.700 -6.093 1.00 0.00 H new ATOM 0 HG23 THR A 9 8.258 -0.136 -5.487 1.00 0.00 H new ATOM 118 N VAL A 10 8.878 -0.155 -1.492 1.00 0.00 N ATOM 119 CA VAL A 10 8.309 0.838 -0.595 1.00 0.00 C ATOM 120 C VAL A 10 7.892 2.089 -1.355 1.00 0.00 C ATOM 121 O VAL A 10 6.928 2.753 -0.986 1.00 0.00 O ATOM 122 CB VAL A 10 9.320 1.247 0.489 1.00 0.00 C ATOM 123 CG1 VAL A 10 9.492 0.137 1.513 1.00 0.00 C ATOM 124 CG2 VAL A 10 10.651 1.613 -0.153 1.00 0.00 C ATOM 0 H VAL A 10 9.866 -0.350 -1.330 1.00 0.00 H new ATOM 0 HA VAL A 10 7.435 0.381 -0.131 1.00 0.00 H new ATOM 0 HB VAL A 10 8.938 2.123 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 10 10.212 0.449 2.270 1.00 0.00 H new ATOM 0 HG12 VAL A 10 8.533 -0.072 1.988 1.00 0.00 H new ATOM 0 HG13 VAL A 10 9.855 -0.763 1.016 1.00 0.00 H new ATOM 0 HG21 VAL A 10 11.361 1.902 0.622 1.00 0.00 H new ATOM 0 HG22 VAL A 10 11.040 0.754 -0.700 1.00 0.00 H new ATOM 0 HG23 VAL A 10 10.506 2.446 -0.841 1.00 0.00 H new ATOM 134 N VAL A 11 8.635 2.411 -2.409 1.00 0.00 N ATOM 135 CA VAL A 11 8.352 3.597 -3.209 1.00 0.00 C ATOM 136 C VAL A 11 7.037 3.460 -3.964 1.00 0.00 C ATOM 137 O VAL A 11 6.235 4.394 -4.012 1.00 0.00 O ATOM 138 CB VAL A 11 9.493 3.884 -4.211 1.00 0.00 C ATOM 139 CG1 VAL A 11 10.842 3.760 -3.524 1.00 0.00 C ATOM 140 CG2 VAL A 11 9.421 2.953 -5.414 1.00 0.00 C ATOM 0 H VAL A 11 9.437 1.868 -2.729 1.00 0.00 H new ATOM 0 HA VAL A 11 8.272 4.433 -2.515 1.00 0.00 H new ATOM 0 HB VAL A 11 9.374 4.905 -4.572 1.00 0.00 H new ATOM 0 HG11 VAL A 11 11.636 3.965 -4.242 1.00 0.00 H new ATOM 0 HG12 VAL A 11 10.900 4.476 -2.704 1.00 0.00 H new ATOM 0 HG13 VAL A 11 10.959 2.750 -3.132 1.00 0.00 H new ATOM 0 HG21 VAL A 11 10.237 3.181 -6.100 1.00 0.00 H new ATOM 0 HG22 VAL A 11 9.506 1.919 -5.080 1.00 0.00 H new ATOM 0 HG23 VAL A 11 8.468 3.092 -5.925 1.00 0.00 H new ATOM 150 N GLN A 12 6.820 2.293 -4.552 1.00 0.00 N ATOM 151 CA GLN A 12 5.600 2.041 -5.303 1.00 0.00 C ATOM 152 C GLN A 12 4.428 1.857 -4.359 1.00 0.00 C ATOM 153 O GLN A 12 3.339 2.376 -4.595 1.00 0.00 O ATOM 154 CB GLN A 12 5.750 0.805 -6.192 1.00 0.00 C ATOM 155 CG GLN A 12 6.092 1.132 -7.636 1.00 0.00 C ATOM 156 CD GLN A 12 7.579 1.048 -7.920 1.00 0.00 C ATOM 157 OE1 GLN A 12 8.285 2.056 -7.902 1.00 0.00 O ATOM 158 NE2 GLN A 12 8.062 -0.161 -8.185 1.00 0.00 N ATOM 0 H GLN A 12 7.471 1.508 -4.524 1.00 0.00 H new ATOM 0 HA GLN A 12 5.413 2.905 -5.941 1.00 0.00 H new ATOM 0 HB2 GLN A 12 6.529 0.163 -5.779 1.00 0.00 H new ATOM 0 HB3 GLN A 12 4.821 0.235 -6.167 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.561 0.445 -8.295 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.738 2.136 -7.870 1.00 0.00 H new ATOM 0 HE21 GLN A 12 7.440 -0.969 -8.189 1.00 0.00 H new ATOM 0 HE22 GLN A 12 9.055 -0.281 -8.384 1.00 0.00 H new ATOM 167 N LEU A 13 4.663 1.106 -3.292 1.00 0.00 N ATOM 168 CA LEU A 13 3.630 0.833 -2.308 1.00 0.00 C ATOM 169 C LEU A 13 3.037 2.118 -1.747 1.00 0.00 C ATOM 170 O LEU A 13 1.821 2.296 -1.736 1.00 0.00 O ATOM 171 CB LEU A 13 4.186 -0.043 -1.186 1.00 0.00 C ATOM 172 CG LEU A 13 3.802 -1.521 -1.286 1.00 0.00 C ATOM 173 CD1 LEU A 13 4.896 -2.304 -1.989 1.00 0.00 C ATOM 174 CD2 LEU A 13 3.536 -2.102 0.094 1.00 0.00 C ATOM 0 H LEU A 13 5.564 0.674 -3.087 1.00 0.00 H new ATOM 0 HA LEU A 13 2.825 0.294 -2.807 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.273 0.038 -1.184 1.00 0.00 H new ATOM 0 HB3 LEU A 13 3.836 0.347 -0.230 1.00 0.00 H new ATOM 0 HG LEU A 13 2.886 -1.599 -1.872 1.00 0.00 H new ATOM 0 HD11 LEU A 13 4.609 -3.354 -2.053 1.00 0.00 H new ATOM 0 HD12 LEU A 13 5.041 -1.906 -2.993 1.00 0.00 H new ATOM 0 HD13 LEU A 13 5.825 -2.216 -1.427 1.00 0.00 H new ATOM 0 HD21 LEU A 13 3.265 -3.153 -0.000 1.00 0.00 H new ATOM 0 HD22 LEU A 13 4.434 -2.012 0.706 1.00 0.00 H new ATOM 0 HD23 LEU A 13 2.719 -1.557 0.567 1.00 0.00 H new ATOM 186 N LYS A 14 3.895 3.014 -1.281 1.00 0.00 N ATOM 187 CA LYS A 14 3.436 4.277 -0.718 1.00 0.00 C ATOM 188 C LYS A 14 2.930 5.222 -1.805 1.00 0.00 C ATOM 189 O LYS A 14 1.962 5.952 -1.599 1.00 0.00 O ATOM 190 CB LYS A 14 4.561 4.942 0.069 1.00 0.00 C ATOM 191 CG LYS A 14 5.704 5.436 -0.803 1.00 0.00 C ATOM 192 CD LYS A 14 6.735 6.212 0.003 1.00 0.00 C ATOM 193 CE LYS A 14 6.083 7.269 0.882 1.00 0.00 C ATOM 194 NZ LYS A 14 6.898 8.512 0.955 1.00 0.00 N ATOM 0 H LYS A 14 4.908 2.892 -1.281 1.00 0.00 H new ATOM 0 HA LYS A 14 2.605 4.060 -0.047 1.00 0.00 H new ATOM 0 HB2 LYS A 14 4.153 5.783 0.630 1.00 0.00 H new ATOM 0 HB3 LYS A 14 4.952 4.232 0.798 1.00 0.00 H new ATOM 0 HG2 LYS A 14 6.186 4.586 -1.287 1.00 0.00 H new ATOM 0 HG3 LYS A 14 5.308 6.072 -1.595 1.00 0.00 H new ATOM 0 HD2 LYS A 14 7.305 5.522 0.625 1.00 0.00 H new ATOM 0 HD3 LYS A 14 7.443 6.689 -0.675 1.00 0.00 H new ATOM 0 HE2 LYS A 14 5.094 7.506 0.491 1.00 0.00 H new ATOM 0 HE3 LYS A 14 5.941 6.869 1.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 6.419 9.206 1.563 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 7.833 8.291 1.352 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 7.012 8.909 0.000 1.00 0.00 H new ATOM 208 N ASP A 15 3.586 5.205 -2.963 1.00 0.00 N ATOM 209 CA ASP A 15 3.188 6.066 -4.070 1.00 0.00 C ATOM 210 C ASP A 15 1.775 5.719 -4.517 1.00 0.00 C ATOM 211 O ASP A 15 0.923 6.596 -4.688 1.00 0.00 O ATOM 212 CB ASP A 15 4.165 5.916 -5.239 1.00 0.00 C ATOM 213 CG ASP A 15 3.825 6.833 -6.398 1.00 0.00 C ATOM 214 OD1 ASP A 15 3.702 8.055 -6.171 1.00 0.00 O ATOM 215 OD2 ASP A 15 3.683 6.328 -7.531 1.00 0.00 O ATOM 0 H ASP A 15 4.390 4.608 -3.157 1.00 0.00 H new ATOM 0 HA ASP A 15 3.207 7.102 -3.733 1.00 0.00 H new ATOM 0 HB2 ASP A 15 5.176 6.131 -4.894 1.00 0.00 H new ATOM 0 HB3 ASP A 15 4.159 4.882 -5.584 1.00 0.00 H new ATOM 220 N LEU A 16 1.529 4.429 -4.680 1.00 0.00 N ATOM 221 CA LEU A 16 0.224 3.952 -5.082 1.00 0.00 C ATOM 222 C LEU A 16 -0.760 4.127 -3.935 1.00 0.00 C ATOM 223 O LEU A 16 -1.946 4.344 -4.152 1.00 0.00 O ATOM 224 CB LEU A 16 0.314 2.489 -5.552 1.00 0.00 C ATOM 225 CG LEU A 16 -0.232 1.417 -4.594 1.00 0.00 C ATOM 226 CD1 LEU A 16 -1.238 0.521 -5.299 1.00 0.00 C ATOM 227 CD2 LEU A 16 0.904 0.583 -4.028 1.00 0.00 C ATOM 0 H LEU A 16 2.222 3.694 -4.538 1.00 0.00 H new ATOM 0 HA LEU A 16 -0.140 4.539 -5.925 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -0.221 2.403 -6.498 1.00 0.00 H new ATOM 0 HB3 LEU A 16 1.360 2.261 -5.755 1.00 0.00 H new ATOM 0 HG LEU A 16 -0.739 1.924 -3.773 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -1.610 -0.229 -4.601 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -2.071 1.124 -5.661 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -0.756 0.025 -6.141 1.00 0.00 H new ATOM 0 HD21 LEU A 16 0.500 -0.171 -3.352 1.00 0.00 H new ATOM 0 HD22 LEU A 16 1.436 0.092 -4.843 1.00 0.00 H new ATOM 0 HD23 LEU A 16 1.592 1.228 -3.482 1.00 0.00 H new ATOM 239 N LEU A 17 -0.255 4.031 -2.706 1.00 0.00 N ATOM 240 CA LEU A 17 -1.098 4.184 -1.527 1.00 0.00 C ATOM 241 C LEU A 17 -1.786 5.542 -1.530 1.00 0.00 C ATOM 242 O LEU A 17 -3.012 5.634 -1.475 1.00 0.00 O ATOM 243 CB LEU A 17 -0.253 4.071 -0.259 1.00 0.00 C ATOM 244 CG LEU A 17 -0.130 2.673 0.336 1.00 0.00 C ATOM 245 CD1 LEU A 17 0.908 2.664 1.446 1.00 0.00 C ATOM 246 CD2 LEU A 17 -1.471 2.193 0.858 1.00 0.00 C ATOM 0 H LEU A 17 0.728 3.849 -2.504 1.00 0.00 H new ATOM 0 HA LEU A 17 -1.850 3.395 -1.548 1.00 0.00 H new ATOM 0 HB2 LEU A 17 0.749 4.441 -0.479 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -0.678 4.731 0.498 1.00 0.00 H new ATOM 0 HG LEU A 17 0.193 1.990 -0.450 1.00 0.00 H new ATOM 0 HD11 LEU A 17 0.986 1.660 1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 17 1.875 2.966 1.043 1.00 0.00 H new ATOM 0 HD13 LEU A 17 0.609 3.360 2.230 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -1.361 1.193 1.278 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -1.826 2.875 1.631 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -2.191 2.166 0.040 1.00 0.00 H new ATOM 258 N THR A 18 -0.979 6.594 -1.608 1.00 0.00 N ATOM 259 CA THR A 18 -1.506 7.952 -1.626 1.00 0.00 C ATOM 260 C THR A 18 -2.337 8.174 -2.882 1.00 0.00 C ATOM 261 O THR A 18 -3.361 8.856 -2.848 1.00 0.00 O ATOM 262 CB THR A 18 -0.377 8.993 -1.529 1.00 0.00 C ATOM 263 OG1 THR A 18 -0.743 10.198 -2.182 1.00 0.00 O ATOM 264 CG2 THR A 18 0.940 8.535 -2.121 1.00 0.00 C ATOM 0 H THR A 18 0.038 6.533 -1.660 1.00 0.00 H new ATOM 0 HA THR A 18 -2.146 8.080 -0.753 1.00 0.00 H new ATOM 0 HB THR A 18 -0.234 9.144 -0.459 1.00 0.00 H new ATOM 0 HG1 THR A 18 -0.012 10.846 -2.107 1.00 0.00 H new ATOM 0 HG21 THR A 18 1.682 9.326 -2.012 1.00 0.00 H new ATOM 0 HG22 THR A 18 1.283 7.642 -1.599 1.00 0.00 H new ATOM 0 HG23 THR A 18 0.804 8.308 -3.178 1.00 0.00 H new ATOM 272 N LYS A 19 -1.898 7.582 -3.988 1.00 0.00 N ATOM 273 CA LYS A 19 -2.616 7.708 -5.248 1.00 0.00 C ATOM 274 C LYS A 19 -3.882 6.843 -5.250 1.00 0.00 C ATOM 275 O LYS A 19 -4.724 6.967 -6.139 1.00 0.00 O ATOM 276 CB LYS A 19 -1.712 7.312 -6.416 1.00 0.00 C ATOM 277 CG LYS A 19 -0.733 8.400 -6.824 1.00 0.00 C ATOM 278 CD LYS A 19 0.487 7.819 -7.519 1.00 0.00 C ATOM 279 CE LYS A 19 0.122 7.194 -8.856 1.00 0.00 C ATOM 280 NZ LYS A 19 0.056 8.207 -9.944 1.00 0.00 N ATOM 0 H LYS A 19 -1.053 7.013 -4.036 1.00 0.00 H new ATOM 0 HA LYS A 19 -2.913 8.751 -5.363 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -1.154 6.416 -6.145 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -2.333 7.053 -7.274 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -1.229 9.107 -7.489 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -0.419 8.958 -5.942 1.00 0.00 H new ATOM 0 HD2 LYS A 19 1.227 8.604 -7.673 1.00 0.00 H new ATOM 0 HD3 LYS A 19 0.948 7.067 -6.879 1.00 0.00 H new ATOM 0 HE2 LYS A 19 0.858 6.433 -9.114 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -0.841 6.690 -8.770 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -0.196 7.740 -10.838 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -0.664 8.920 -9.711 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 0.982 8.670 -10.044 1.00 0.00 H new ATOM 294 N ARG A 20 -3.999 5.956 -4.261 1.00 0.00 N ATOM 295 CA ARG A 20 -5.146 5.060 -4.160 1.00 0.00 C ATOM 296 C ARG A 20 -6.250 5.650 -3.283 1.00 0.00 C ATOM 297 O ARG A 20 -7.358 5.115 -3.237 1.00 0.00 O ATOM 298 CB ARG A 20 -4.689 3.718 -3.593 1.00 0.00 C ATOM 299 CG ARG A 20 -5.763 2.649 -3.583 1.00 0.00 C ATOM 300 CD ARG A 20 -5.250 1.378 -2.932 1.00 0.00 C ATOM 301 NE ARG A 20 -4.516 0.538 -3.873 1.00 0.00 N ATOM 302 CZ ARG A 20 -5.093 -0.169 -4.842 1.00 0.00 C ATOM 303 NH1 ARG A 20 -6.410 -0.140 -5.002 1.00 0.00 N ATOM 304 NH2 ARG A 20 -4.349 -0.908 -5.655 1.00 0.00 N ATOM 0 H ARG A 20 -3.310 5.841 -3.518 1.00 0.00 H new ATOM 0 HA ARG A 20 -5.560 4.922 -5.159 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -3.841 3.360 -4.177 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -4.333 3.869 -2.574 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -6.639 3.011 -3.044 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -6.082 2.437 -4.604 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -4.602 1.636 -2.095 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -6.090 0.816 -2.523 1.00 0.00 H new ATOM 0 HE ARG A 20 -3.501 0.490 -3.783 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -6.987 0.427 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -6.845 -0.684 -5.747 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -3.336 -0.934 -5.537 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -4.790 -1.450 -6.398 1.00 0.00 H new ATOM 318 N ASN A 21 -5.933 6.749 -2.587 1.00 0.00 N ATOM 319 CA ASN A 21 -6.877 7.438 -1.695 1.00 0.00 C ATOM 320 C ASN A 21 -6.526 7.189 -0.230 1.00 0.00 C ATOM 321 O ASN A 21 -7.083 7.821 0.667 1.00 0.00 O ATOM 322 CB ASN A 21 -8.330 7.024 -1.962 1.00 0.00 C ATOM 323 CG ASN A 21 -9.329 7.987 -1.348 1.00 0.00 C ATOM 324 OD1 ASN A 21 -8.963 8.867 -0.569 1.00 0.00 O ATOM 325 ND2 ASN A 21 -10.600 7.823 -1.699 1.00 0.00 N ATOM 0 H ASN A 21 -5.013 7.187 -2.626 1.00 0.00 H new ATOM 0 HA ASN A 21 -6.788 8.504 -1.906 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -8.497 6.969 -3.038 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -8.500 6.025 -1.561 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -11.318 8.440 -1.319 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -10.858 7.080 -2.348 1.00 0.00 H new ATOM 332 N LEU A 22 -5.589 6.278 0.003 1.00 0.00 N ATOM 333 CA LEU A 22 -5.150 5.959 1.353 1.00 0.00 C ATOM 334 C LEU A 22 -3.918 6.789 1.702 1.00 0.00 C ATOM 335 O LEU A 22 -3.675 7.833 1.097 1.00 0.00 O ATOM 336 CB LEU A 22 -4.826 4.468 1.468 1.00 0.00 C ATOM 337 CG LEU A 22 -5.961 3.517 1.081 1.00 0.00 C ATOM 338 CD1 LEU A 22 -5.622 2.782 -0.206 1.00 0.00 C ATOM 339 CD2 LEU A 22 -6.231 2.527 2.206 1.00 0.00 C ATOM 0 H LEU A 22 -5.118 5.746 -0.729 1.00 0.00 H new ATOM 0 HA LEU A 22 -5.953 6.195 2.051 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.963 4.252 0.838 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -4.532 4.256 2.496 1.00 0.00 H new ATOM 0 HG LEU A 22 -6.864 4.104 0.915 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -6.439 2.110 -0.467 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -5.475 3.504 -1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -4.708 2.205 -0.065 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -7.041 1.858 1.915 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -5.331 1.944 2.401 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -6.515 3.070 3.108 1.00 0.00 H new ATOM 351 N SER A 23 -3.134 6.319 2.665 1.00 0.00 N ATOM 352 CA SER A 23 -1.927 7.022 3.064 1.00 0.00 C ATOM 353 C SER A 23 -0.743 6.069 3.110 1.00 0.00 C ATOM 354 O SER A 23 -0.848 4.909 2.708 1.00 0.00 O ATOM 355 CB SER A 23 -2.107 7.685 4.426 1.00 0.00 C ATOM 356 OG SER A 23 -3.198 8.590 4.416 1.00 0.00 O ATOM 0 H SER A 23 -3.314 5.457 3.181 1.00 0.00 H new ATOM 0 HA SER A 23 -1.732 7.796 2.322 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.272 6.921 5.186 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.194 8.215 4.699 1.00 0.00 H new ATOM 0 HG SER A 23 -3.292 8.999 5.302 1.00 0.00 H new ATOM 362 N VAL A 24 0.385 6.566 3.593 1.00 0.00 N ATOM 363 CA VAL A 24 1.593 5.768 3.682 1.00 0.00 C ATOM 364 C VAL A 24 2.218 5.835 5.074 1.00 0.00 C ATOM 365 O VAL A 24 3.252 5.218 5.323 1.00 0.00 O ATOM 366 CB VAL A 24 2.622 6.220 2.637 1.00 0.00 C ATOM 367 CG1 VAL A 24 1.940 6.426 1.297 1.00 0.00 C ATOM 368 CG2 VAL A 24 3.323 7.495 3.089 1.00 0.00 C ATOM 0 H VAL A 24 0.487 7.523 3.930 1.00 0.00 H new ATOM 0 HA VAL A 24 1.306 4.735 3.485 1.00 0.00 H new ATOM 0 HB VAL A 24 3.378 5.443 2.529 1.00 0.00 H new ATOM 0 HG11 VAL A 24 2.676 6.747 0.560 1.00 0.00 H new ATOM 0 HG12 VAL A 24 1.485 5.490 0.972 1.00 0.00 H new ATOM 0 HG13 VAL A 24 1.168 7.189 1.395 1.00 0.00 H new ATOM 0 HG21 VAL A 24 4.048 7.799 2.334 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.586 8.287 3.224 1.00 0.00 H new ATOM 0 HG23 VAL A 24 3.836 7.313 4.033 1.00 0.00 H new ATOM 378 N GLY A 25 1.588 6.578 5.980 1.00 0.00 N ATOM 379 CA GLY A 25 2.104 6.684 7.332 1.00 0.00 C ATOM 380 C GLY A 25 1.945 5.383 8.099 1.00 0.00 C ATOM 381 O GLY A 25 1.361 5.355 9.182 1.00 0.00 O ATOM 0 H GLY A 25 0.733 7.106 5.803 1.00 0.00 H new ATOM 0 HA2 GLY A 25 3.158 6.960 7.298 1.00 0.00 H new ATOM 0 HA3 GLY A 25 1.582 7.483 7.859 1.00 0.00 H new ATOM 385 N GLY A 26 2.469 4.303 7.526 1.00 0.00 N ATOM 386 CA GLY A 26 2.386 2.999 8.147 1.00 0.00 C ATOM 387 C GLY A 26 3.688 2.246 7.999 1.00 0.00 C ATOM 388 O GLY A 26 4.560 2.328 8.861 1.00 0.00 O ATOM 0 H GLY A 26 2.956 4.313 6.630 1.00 0.00 H new ATOM 0 HA2 GLY A 26 2.144 3.110 9.204 1.00 0.00 H new ATOM 0 HA3 GLY A 26 1.577 2.427 7.693 1.00 0.00 H new ATOM 392 N LEU A 27 3.817 1.518 6.892 1.00 0.00 N ATOM 393 CA LEU A 27 5.015 0.742 6.593 1.00 0.00 C ATOM 394 C LEU A 27 4.743 -0.210 5.437 1.00 0.00 C ATOM 395 O LEU A 27 3.592 -0.434 5.080 1.00 0.00 O ATOM 396 CB LEU A 27 5.463 -0.045 7.820 1.00 0.00 C ATOM 397 CG LEU A 27 6.890 0.244 8.287 1.00 0.00 C ATOM 398 CD1 LEU A 27 7.896 -0.309 7.291 1.00 0.00 C ATOM 399 CD2 LEU A 27 7.108 1.741 8.481 1.00 0.00 C ATOM 0 H LEU A 27 3.092 1.450 6.177 1.00 0.00 H new ATOM 0 HA LEU A 27 5.812 1.430 6.311 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.778 0.169 8.640 1.00 0.00 H new ATOM 0 HB3 LEU A 27 5.377 -1.109 7.602 1.00 0.00 H new ATOM 0 HG LEU A 27 7.038 -0.250 9.247 1.00 0.00 H new ATOM 0 HD11 LEU A 27 8.907 -0.095 7.638 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.764 -1.387 7.201 1.00 0.00 H new ATOM 0 HD13 LEU A 27 7.740 0.158 6.319 1.00 0.00 H new ATOM 0 HD21 LEU A 27 8.131 1.920 8.813 1.00 0.00 H new ATOM 0 HD22 LEU A 27 6.937 2.259 7.537 1.00 0.00 H new ATOM 0 HD23 LEU A 27 6.412 2.116 9.231 1.00 0.00 H new ATOM 411 N LYS A 28 5.798 -0.770 4.854 1.00 0.00 N ATOM 412 CA LYS A 28 5.639 -1.697 3.738 1.00 0.00 C ATOM 413 C LYS A 28 4.589 -2.756 4.060 1.00 0.00 C ATOM 414 O LYS A 28 3.583 -2.877 3.360 1.00 0.00 O ATOM 415 CB LYS A 28 6.972 -2.366 3.401 1.00 0.00 C ATOM 416 CG LYS A 28 7.187 -2.567 1.910 1.00 0.00 C ATOM 417 CD LYS A 28 8.567 -3.130 1.615 1.00 0.00 C ATOM 418 CE LYS A 28 8.648 -3.697 0.207 1.00 0.00 C ATOM 419 NZ LYS A 28 8.240 -5.128 0.161 1.00 0.00 N ATOM 0 H LYS A 28 6.765 -0.601 5.132 1.00 0.00 H new ATOM 0 HA LYS A 28 5.303 -1.127 2.871 1.00 0.00 H new ATOM 0 HB2 LYS A 28 7.785 -1.759 3.799 1.00 0.00 H new ATOM 0 HB3 LYS A 28 7.021 -3.333 3.901 1.00 0.00 H new ATOM 0 HG2 LYS A 28 6.426 -3.243 1.520 1.00 0.00 H new ATOM 0 HG3 LYS A 28 7.063 -1.616 1.392 1.00 0.00 H new ATOM 0 HD2 LYS A 28 9.314 -2.346 1.736 1.00 0.00 H new ATOM 0 HD3 LYS A 28 8.804 -3.911 2.337 1.00 0.00 H new ATOM 0 HE2 LYS A 28 8.008 -3.115 -0.456 1.00 0.00 H new ATOM 0 HE3 LYS A 28 9.667 -3.598 -0.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 8.211 -5.449 -0.828 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 8.926 -5.702 0.691 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 7.297 -5.234 0.587 1.00 0.00 H new ATOM 433 N ASN A 29 4.811 -3.505 5.138 1.00 0.00 N ATOM 434 CA ASN A 29 3.866 -4.535 5.556 1.00 0.00 C ATOM 435 C ASN A 29 2.475 -3.934 5.702 1.00 0.00 C ATOM 436 O ASN A 29 1.483 -4.495 5.230 1.00 0.00 O ATOM 437 CB ASN A 29 4.309 -5.163 6.878 1.00 0.00 C ATOM 438 CG ASN A 29 4.429 -4.142 7.993 1.00 0.00 C ATOM 439 OD1 ASN A 29 5.491 -3.557 8.203 1.00 0.00 O ATOM 440 ND2 ASN A 29 3.335 -3.922 8.713 1.00 0.00 N ATOM 0 H ASN A 29 5.634 -3.418 5.735 1.00 0.00 H new ATOM 0 HA ASN A 29 3.839 -5.315 4.795 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.594 -5.932 7.169 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.270 -5.658 6.738 1.00 0.00 H new ATOM 0 HD21 ASN A 29 3.354 -3.245 9.476 1.00 0.00 H new ATOM 0 HD22 ASN A 29 2.476 -4.430 8.503 1.00 0.00 H new ATOM 447 N GLU A 30 2.419 -2.773 6.340 1.00 0.00 N ATOM 448 CA GLU A 30 1.163 -2.068 6.532 1.00 0.00 C ATOM 449 C GLU A 30 0.614 -1.602 5.194 1.00 0.00 C ATOM 450 O GLU A 30 -0.595 -1.507 5.006 1.00 0.00 O ATOM 451 CB GLU A 30 1.374 -0.870 7.458 1.00 0.00 C ATOM 452 CG GLU A 30 1.133 -1.184 8.925 1.00 0.00 C ATOM 453 CD GLU A 30 -0.258 -0.791 9.384 1.00 0.00 C ATOM 454 OE1 GLU A 30 -0.422 -0.490 10.584 1.00 0.00 O ATOM 455 OE2 GLU A 30 -1.181 -0.784 8.543 1.00 0.00 O ATOM 0 H GLU A 30 3.232 -2.300 6.734 1.00 0.00 H new ATOM 0 HA GLU A 30 0.443 -2.747 6.989 1.00 0.00 H new ATOM 0 HB2 GLU A 30 2.393 -0.503 7.337 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.706 -0.064 7.153 1.00 0.00 H new ATOM 0 HG2 GLU A 30 1.279 -2.251 9.093 1.00 0.00 H new ATOM 0 HG3 GLU A 30 1.873 -0.661 9.531 1.00 0.00 H new ATOM 462 N TRP A 31 1.518 -1.314 4.268 1.00 0.00 N ATOM 463 CA TRP A 31 1.143 -0.847 2.946 1.00 0.00 C ATOM 464 C TRP A 31 0.520 -1.964 2.125 1.00 0.00 C ATOM 465 O TRP A 31 -0.537 -1.781 1.525 1.00 0.00 O ATOM 466 CB TRP A 31 2.370 -0.259 2.250 1.00 0.00 C ATOM 467 CG TRP A 31 2.846 0.995 2.915 1.00 0.00 C ATOM 468 CD1 TRP A 31 2.202 1.682 3.904 1.00 0.00 C ATOM 469 CD2 TRP A 31 4.060 1.711 2.658 1.00 0.00 C ATOM 470 NE1 TRP A 31 2.929 2.784 4.263 1.00 0.00 N ATOM 471 CE2 TRP A 31 4.076 2.820 3.522 1.00 0.00 C ATOM 472 CE3 TRP A 31 5.137 1.527 1.784 1.00 0.00 C ATOM 473 CZ2 TRP A 31 5.116 3.737 3.541 1.00 0.00 C ATOM 474 CZ3 TRP A 31 6.173 2.440 1.806 1.00 0.00 C ATOM 475 CH2 TRP A 31 6.159 3.532 2.681 1.00 0.00 C ATOM 0 H TRP A 31 2.524 -1.397 4.413 1.00 0.00 H new ATOM 0 HA TRP A 31 0.387 -0.068 3.044 1.00 0.00 H new ATOM 0 HB2 TRP A 31 3.173 -0.996 2.248 1.00 0.00 H new ATOM 0 HB3 TRP A 31 2.129 -0.048 1.208 1.00 0.00 H new ATOM 0 HD1 TRP A 31 1.256 1.397 4.340 1.00 0.00 H new ATOM 0 HE1 TRP A 31 2.658 3.468 4.970 1.00 0.00 H new ATOM 0 HE3 TRP A 31 5.158 0.687 1.105 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 5.103 4.583 4.212 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 7.009 2.309 1.136 1.00 0.00 H new ATOM 0 HH2 TRP A 31 6.987 4.225 2.677 1.00 0.00 H new ATOM 486 N VAL A 32 1.154 -3.131 2.118 1.00 0.00 N ATOM 487 CA VAL A 32 0.610 -4.261 1.383 1.00 0.00 C ATOM 488 C VAL A 32 -0.746 -4.638 1.966 1.00 0.00 C ATOM 489 O VAL A 32 -1.672 -4.983 1.237 1.00 0.00 O ATOM 490 CB VAL A 32 1.553 -5.485 1.416 1.00 0.00 C ATOM 491 CG1 VAL A 32 1.823 -5.925 2.845 1.00 0.00 C ATOM 492 CG2 VAL A 32 0.973 -6.631 0.596 1.00 0.00 C ATOM 0 H VAL A 32 2.031 -3.316 2.605 1.00 0.00 H new ATOM 0 HA VAL A 32 0.502 -3.961 0.341 1.00 0.00 H new ATOM 0 HB VAL A 32 2.504 -5.193 0.970 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.489 -6.788 2.840 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.291 -5.108 3.395 1.00 0.00 H new ATOM 0 HG13 VAL A 32 0.883 -6.195 3.326 1.00 0.00 H new ATOM 0 HG21 VAL A 32 1.651 -7.483 0.631 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.006 -6.920 1.007 1.00 0.00 H new ATOM 0 HG23 VAL A 32 0.847 -6.311 -0.438 1.00 0.00 H new ATOM 502 N GLN A 33 -0.863 -4.542 3.288 1.00 0.00 N ATOM 503 CA GLN A 33 -2.117 -4.845 3.959 1.00 0.00 C ATOM 504 C GLN A 33 -3.135 -3.746 3.671 1.00 0.00 C ATOM 505 O GLN A 33 -4.331 -4.006 3.533 1.00 0.00 O ATOM 506 CB GLN A 33 -1.899 -4.987 5.468 1.00 0.00 C ATOM 507 CG GLN A 33 -2.157 -6.392 5.989 1.00 0.00 C ATOM 508 CD GLN A 33 -0.952 -6.987 6.691 1.00 0.00 C ATOM 509 OE1 GLN A 33 0.221 -6.826 6.090 1.00 0.00 O flip ATOM 510 NE2 GLN A 33 -1.073 -7.582 7.762 1.00 0.00 N flip ATOM 0 H GLN A 33 -0.107 -4.258 3.910 1.00 0.00 H new ATOM 0 HA GLN A 33 -2.499 -5.792 3.579 1.00 0.00 H new ATOM 0 HB2 GLN A 33 -0.875 -4.702 5.707 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -2.554 -4.289 5.989 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -3.000 -6.370 6.679 1.00 0.00 H new ATOM 0 HG3 GLN A 33 -2.443 -7.036 5.158 1.00 0.00 H new ATOM 0 HE21 GLN A 33 -1.994 -7.682 8.188 1.00 0.00 H new ATOM 0 HE22 GLN A 33 -0.252 -7.975 8.223 1.00 0.00 H new ATOM 519 N ARG A 34 -2.639 -2.515 3.576 1.00 0.00 N ATOM 520 CA ARG A 34 -3.483 -1.360 3.298 1.00 0.00 C ATOM 521 C ARG A 34 -4.085 -1.461 1.905 1.00 0.00 C ATOM 522 O ARG A 34 -5.291 -1.295 1.717 1.00 0.00 O ATOM 523 CB ARG A 34 -2.671 -0.069 3.430 1.00 0.00 C ATOM 524 CG ARG A 34 -2.532 0.394 4.856 1.00 0.00 C ATOM 525 CD ARG A 34 -2.659 1.893 4.975 1.00 0.00 C ATOM 526 NE ARG A 34 -1.379 2.468 5.331 1.00 0.00 N ATOM 527 CZ ARG A 34 -1.227 3.685 5.843 1.00 0.00 C ATOM 528 NH1 ARG A 34 -2.283 4.467 6.036 1.00 0.00 N ATOM 529 NH2 ARG A 34 -0.022 4.124 6.165 1.00 0.00 N ATOM 0 H ARG A 34 -1.650 -2.293 3.689 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.295 -1.342 4.025 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -1.679 -0.225 3.006 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -3.149 0.716 2.844 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -3.295 -0.085 5.469 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -1.565 0.079 5.247 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -3.007 2.313 4.031 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -3.404 2.145 5.730 1.00 0.00 H new ATOM 0 HE ARG A 34 -0.542 1.904 5.180 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -3.216 4.134 5.791 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.161 5.400 6.429 1.00 0.00 H new ATOM 0 HH21 ARG A 34 0.793 3.528 6.021 1.00 0.00 H new ATOM 0 HH22 ARG A 34 0.092 5.058 6.558 1.00 0.00 H new ATOM 543 N LEU A 35 -3.231 -1.743 0.932 1.00 0.00 N ATOM 544 CA LEU A 35 -3.656 -1.876 -0.447 1.00 0.00 C ATOM 545 C LEU A 35 -4.525 -3.115 -0.627 1.00 0.00 C ATOM 546 O LEU A 35 -5.631 -3.034 -1.162 1.00 0.00 O ATOM 547 CB LEU A 35 -2.424 -1.952 -1.340 1.00 0.00 C ATOM 548 CG LEU A 35 -1.443 -0.793 -1.179 1.00 0.00 C ATOM 549 CD1 LEU A 35 -0.091 -1.180 -1.736 1.00 0.00 C ATOM 550 CD2 LEU A 35 -1.961 0.460 -1.866 1.00 0.00 C ATOM 0 H LEU A 35 -2.231 -1.885 1.078 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.254 -1.008 -0.725 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -1.900 -2.885 -1.133 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -2.748 -1.993 -2.380 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.340 -0.574 -0.116 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.603 -0.348 -1.617 1.00 0.00 H new ATOM 0 HD12 LEU A 35 0.289 -2.049 -1.198 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.189 -1.422 -2.794 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.243 1.270 -1.736 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.096 0.262 -2.929 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.916 0.748 -1.426 1.00 0.00 H new ATOM 562 N ILE A 36 -4.031 -4.260 -0.159 1.00 0.00 N ATOM 563 CA ILE A 36 -4.778 -5.508 -0.260 1.00 0.00 C ATOM 564 C ILE A 36 -6.178 -5.336 0.321 1.00 0.00 C ATOM 565 O ILE A 36 -7.158 -5.837 -0.230 1.00 0.00 O ATOM 566 CB ILE A 36 -4.064 -6.662 0.481 1.00 0.00 C ATOM 567 CG1 ILE A 36 -2.766 -7.053 -0.232 1.00 0.00 C ATOM 568 CG2 ILE A 36 -4.979 -7.876 0.599 1.00 0.00 C ATOM 569 CD1 ILE A 36 -1.926 -8.029 0.561 1.00 0.00 C ATOM 0 H ILE A 36 -3.120 -4.347 0.292 1.00 0.00 H new ATOM 0 HA ILE A 36 -4.842 -5.761 -1.318 1.00 0.00 H new ATOM 0 HB ILE A 36 -3.816 -6.310 1.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -3.008 -7.493 -1.199 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -2.181 -6.154 -0.428 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -4.456 -8.676 1.124 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -5.876 -7.603 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -5.260 -8.218 -0.397 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -1.020 -8.267 0.003 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -1.656 -7.583 1.518 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -2.496 -8.942 0.734 1.00 0.00 H new ATOM 581 N LYS A 37 -6.260 -4.612 1.432 1.00 0.00 N ATOM 582 CA LYS A 37 -7.532 -4.359 2.086 1.00 0.00 C ATOM 583 C LYS A 37 -8.354 -3.381 1.265 1.00 0.00 C ATOM 584 O LYS A 37 -9.583 -3.441 1.252 1.00 0.00 O ATOM 585 CB LYS A 37 -7.308 -3.805 3.495 1.00 0.00 C ATOM 586 CG LYS A 37 -6.900 -4.863 4.506 1.00 0.00 C ATOM 587 CD LYS A 37 -8.085 -5.717 4.926 1.00 0.00 C ATOM 588 CE LYS A 37 -7.633 -7.023 5.561 1.00 0.00 C ATOM 589 NZ LYS A 37 -7.031 -7.947 4.562 1.00 0.00 N ATOM 0 H LYS A 37 -5.456 -4.190 1.897 1.00 0.00 H new ATOM 0 HA LYS A 37 -8.076 -5.300 2.165 1.00 0.00 H new ATOM 0 HB2 LYS A 37 -6.537 -3.035 3.456 1.00 0.00 H new ATOM 0 HB3 LYS A 37 -8.224 -3.322 3.836 1.00 0.00 H new ATOM 0 HG2 LYS A 37 -6.126 -5.499 4.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 -6.467 -4.382 5.383 1.00 0.00 H new ATOM 0 HD2 LYS A 37 -8.703 -5.162 5.632 1.00 0.00 H new ATOM 0 HD3 LYS A 37 -8.708 -5.930 4.057 1.00 0.00 H new ATOM 0 HE2 LYS A 37 -6.906 -6.813 6.345 1.00 0.00 H new ATOM 0 HE3 LYS A 37 -8.484 -7.509 6.038 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 -7.017 -8.913 4.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 -7.596 -7.931 3.689 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 -6.059 -7.644 4.351 1.00 0.00 H new ATOM 603 N ASP A 38 -7.663 -2.478 0.577 1.00 0.00 N ATOM 604 CA ASP A 38 -8.331 -1.491 -0.250 1.00 0.00 C ATOM 605 C ASP A 38 -8.982 -2.155 -1.457 1.00 0.00 C ATOM 606 O ASP A 38 -10.115 -1.839 -1.820 1.00 0.00 O ATOM 607 CB ASP A 38 -7.343 -0.422 -0.711 1.00 0.00 C ATOM 608 CG ASP A 38 -8.024 0.897 -1.023 1.00 0.00 C ATOM 609 OD1 ASP A 38 -8.353 1.130 -2.206 1.00 0.00 O ATOM 610 OD2 ASP A 38 -8.228 1.696 -0.085 1.00 0.00 O ATOM 0 H ASP A 38 -6.645 -2.413 0.578 1.00 0.00 H new ATOM 0 HA ASP A 38 -9.108 -1.016 0.349 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -6.592 -0.266 0.064 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -6.817 -0.775 -1.598 1.00 0.00 H new ATOM 615 N ASP A 39 -8.255 -3.082 -2.072 1.00 0.00 N ATOM 616 CA ASP A 39 -8.757 -3.802 -3.236 1.00 0.00 C ATOM 617 C ASP A 39 -9.796 -4.838 -2.821 1.00 0.00 C ATOM 618 O ASP A 39 -10.690 -5.180 -3.597 1.00 0.00 O ATOM 619 CB ASP A 39 -7.604 -4.482 -3.977 1.00 0.00 C ATOM 620 CG ASP A 39 -7.111 -3.663 -5.153 1.00 0.00 C ATOM 621 OD1 ASP A 39 -6.238 -2.795 -4.948 1.00 0.00 O ATOM 622 OD2 ASP A 39 -7.599 -3.890 -6.281 1.00 0.00 O ATOM 0 H ASP A 39 -7.315 -3.352 -1.783 1.00 0.00 H new ATOM 0 HA ASP A 39 -9.232 -3.084 -3.904 1.00 0.00 H new ATOM 0 HB2 ASP A 39 -6.780 -4.651 -3.284 1.00 0.00 H new ATOM 0 HB3 ASP A 39 -7.929 -5.461 -4.330 1.00 0.00 H new ATOM 627 N GLU A 40 -9.677 -5.335 -1.593 1.00 0.00 N ATOM 628 CA GLU A 40 -10.611 -6.331 -1.079 1.00 0.00 C ATOM 629 C GLU A 40 -11.949 -5.692 -0.728 1.00 0.00 C ATOM 630 O GLU A 40 -12.974 -6.371 -0.673 1.00 0.00 O ATOM 631 CB GLU A 40 -10.029 -7.036 0.148 1.00 0.00 C ATOM 632 CG GLU A 40 -10.434 -8.495 0.261 1.00 0.00 C ATOM 633 CD GLU A 40 -10.674 -8.926 1.695 1.00 0.00 C ATOM 634 OE1 GLU A 40 -9.991 -9.864 2.156 1.00 0.00 O ATOM 635 OE2 GLU A 40 -11.545 -8.324 2.358 1.00 0.00 O ATOM 0 H GLU A 40 -8.944 -5.065 -0.937 1.00 0.00 H new ATOM 0 HA GLU A 40 -10.775 -7.070 -1.863 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -8.942 -6.971 0.112 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -10.350 -6.508 1.046 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -11.340 -8.662 -0.321 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -9.655 -9.119 -0.176 1.00 0.00 H new ATOM 642 N GLU A 41 -11.936 -4.382 -0.503 1.00 0.00 N ATOM 643 CA GLU A 41 -13.154 -3.655 -0.169 1.00 0.00 C ATOM 644 C GLU A 41 -14.232 -3.877 -1.229 1.00 0.00 C ATOM 645 O GLU A 41 -15.414 -3.634 -0.982 1.00 0.00 O ATOM 646 CB GLU A 41 -12.859 -2.160 -0.031 1.00 0.00 C ATOM 647 CG GLU A 41 -12.039 -1.813 1.202 1.00 0.00 C ATOM 648 CD GLU A 41 -12.763 -0.864 2.136 1.00 0.00 C ATOM 649 OE1 GLU A 41 -13.315 -1.337 3.153 1.00 0.00 O ATOM 650 OE2 GLU A 41 -12.777 0.352 1.853 1.00 0.00 O ATOM 0 H GLU A 41 -11.097 -3.804 -0.546 1.00 0.00 H new ATOM 0 HA GLU A 41 -13.524 -4.036 0.783 1.00 0.00 H new ATOM 0 HB2 GLU A 41 -12.326 -1.820 -0.919 1.00 0.00 H new ATOM 0 HB3 GLU A 41 -13.802 -1.614 0.004 1.00 0.00 H new ATOM 0 HG2 GLU A 41 -11.793 -2.729 1.740 1.00 0.00 H new ATOM 0 HG3 GLU A 41 -11.096 -1.363 0.892 1.00 0.00 H new ATOM 657 N SER A 42 -13.823 -4.347 -2.406 1.00 0.00 N ATOM 658 CA SER A 42 -14.759 -4.604 -3.490 1.00 0.00 C ATOM 659 C SER A 42 -14.311 -5.797 -4.319 1.00 0.00 C ATOM 660 O SER A 42 -13.758 -5.639 -5.407 1.00 0.00 O ATOM 661 CB SER A 42 -14.892 -3.380 -4.394 1.00 0.00 C ATOM 662 OG SER A 42 -15.837 -2.460 -3.877 1.00 0.00 O ATOM 0 H SER A 42 -12.850 -4.556 -2.630 1.00 0.00 H new ATOM 0 HA SER A 42 -15.729 -4.824 -3.043 1.00 0.00 H new ATOM 0 HB2 SER A 42 -13.923 -2.892 -4.494 1.00 0.00 H new ATOM 0 HB3 SER A 42 -15.195 -3.694 -5.393 1.00 0.00 H new ATOM 0 HG SER A 42 -15.918 -2.584 -2.908 1.00 0.00 H new ATOM 668 N LYS A 43 -14.559 -6.992 -3.804 1.00 0.00 N ATOM 669 CA LYS A 43 -14.187 -8.214 -4.506 1.00 0.00 C ATOM 670 C LYS A 43 -15.219 -8.565 -5.577 1.00 0.00 C ATOM 671 O LYS A 43 -15.593 -9.728 -5.732 1.00 0.00 O ATOM 672 CB LYS A 43 -14.046 -9.372 -3.516 1.00 0.00 C ATOM 673 CG LYS A 43 -13.174 -10.506 -4.027 1.00 0.00 C ATOM 674 CD LYS A 43 -13.659 -11.854 -3.518 1.00 0.00 C ATOM 675 CE LYS A 43 -13.163 -12.129 -2.108 1.00 0.00 C ATOM 676 NZ LYS A 43 -11.991 -13.048 -2.100 1.00 0.00 N ATOM 0 H LYS A 43 -15.015 -7.143 -2.904 1.00 0.00 H new ATOM 0 HA LYS A 43 -13.228 -8.045 -4.995 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -13.626 -8.993 -2.584 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -15.037 -9.763 -3.283 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -13.176 -10.505 -5.117 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -12.144 -10.345 -3.710 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -14.749 -11.879 -3.533 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -13.313 -12.642 -4.187 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -12.890 -11.188 -1.630 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -13.970 -12.564 -1.518 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -11.683 -13.210 -1.120 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -12.258 -13.955 -2.533 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -11.212 -12.622 -2.641 1.00 0.00 H new ATOM 690 N GLY A 44 -15.679 -7.554 -6.315 1.00 0.00 N ATOM 691 CA GLY A 44 -16.662 -7.790 -7.357 1.00 0.00 C ATOM 692 C GLY A 44 -16.944 -6.549 -8.180 1.00 0.00 C ATOM 693 O GLY A 44 -16.064 -5.707 -8.366 1.00 0.00 O ATOM 0 H GLY A 44 -15.389 -6.582 -6.209 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -16.307 -8.585 -8.013 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -17.590 -8.141 -6.904 1.00 0.00 H new ATOM 697 N GLU A 45 -18.171 -6.436 -8.675 1.00 0.00 N ATOM 698 CA GLU A 45 -18.567 -5.288 -9.484 1.00 0.00 C ATOM 699 C GLU A 45 -19.712 -4.527 -8.825 1.00 0.00 C ATOM 700 O GLU A 45 -20.156 -4.878 -7.732 1.00 0.00 O ATOM 701 CB GLU A 45 -18.983 -5.745 -10.884 1.00 0.00 C ATOM 702 CG GLU A 45 -17.933 -6.592 -11.585 1.00 0.00 C ATOM 703 CD GLU A 45 -17.913 -8.024 -11.088 1.00 0.00 C ATOM 704 OE1 GLU A 45 -16.833 -8.494 -10.675 1.00 0.00 O ATOM 705 OE2 GLU A 45 -18.978 -8.676 -11.112 1.00 0.00 O ATOM 0 H GLU A 45 -18.909 -7.125 -8.531 1.00 0.00 H new ATOM 0 HA GLU A 45 -17.710 -4.619 -9.566 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -19.909 -6.316 -10.811 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -19.197 -4.868 -11.495 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -18.124 -6.586 -12.658 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -16.950 -6.145 -11.434 1.00 0.00 H new ATOM 712 N SER A 46 -20.185 -3.481 -9.496 1.00 0.00 N ATOM 713 CA SER A 46 -21.278 -2.669 -8.976 1.00 0.00 C ATOM 714 C SER A 46 -20.901 -2.046 -7.636 1.00 0.00 C ATOM 715 O SER A 46 -21.742 -1.904 -6.747 1.00 0.00 O ATOM 716 CB SER A 46 -22.542 -3.517 -8.819 1.00 0.00 C ATOM 717 OG SER A 46 -23.707 -2.738 -9.019 1.00 0.00 O ATOM 0 H SER A 46 -19.828 -3.176 -10.401 1.00 0.00 H new ATOM 0 HA SER A 46 -21.473 -1.867 -9.688 1.00 0.00 H new ATOM 0 HB2 SER A 46 -22.523 -4.339 -9.535 1.00 0.00 H new ATOM 0 HB3 SER A 46 -22.564 -3.961 -7.824 1.00 0.00 H new ATOM 0 HG SER A 46 -24.501 -3.304 -8.915 1.00 0.00 H new ATOM 723 N GLU A 47 -19.633 -1.676 -7.495 1.00 0.00 N ATOM 724 CA GLU A 47 -19.145 -1.067 -6.264 1.00 0.00 C ATOM 725 C GLU A 47 -18.066 -0.031 -6.559 1.00 0.00 C ATOM 726 O GLU A 47 -18.184 1.131 -6.170 1.00 0.00 O ATOM 727 CB GLU A 47 -18.597 -2.142 -5.322 1.00 0.00 C ATOM 728 CG GLU A 47 -19.112 -2.024 -3.897 1.00 0.00 C ATOM 729 CD GLU A 47 -19.041 -3.336 -3.141 1.00 0.00 C ATOM 730 OE1 GLU A 47 -19.248 -4.396 -3.769 1.00 0.00 O ATOM 731 OE2 GLU A 47 -18.778 -3.304 -1.920 1.00 0.00 O ATOM 0 H GLU A 47 -18.924 -1.788 -8.219 1.00 0.00 H new ATOM 0 HA GLU A 47 -19.982 -0.563 -5.780 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -18.860 -3.125 -5.714 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -17.509 -2.083 -5.312 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -18.530 -1.271 -3.366 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -20.144 -1.675 -3.915 1.00 0.00 H new ATOM 738 N VAL A 48 -17.014 -0.459 -7.249 1.00 0.00 N ATOM 739 CA VAL A 48 -15.914 0.432 -7.596 1.00 0.00 C ATOM 740 C VAL A 48 -16.060 0.954 -9.024 1.00 0.00 C ATOM 741 O VAL A 48 -15.189 0.741 -9.868 1.00 0.00 O ATOM 742 CB VAL A 48 -14.551 -0.276 -7.446 1.00 0.00 C ATOM 743 CG1 VAL A 48 -14.459 -1.471 -8.385 1.00 0.00 C ATOM 744 CG2 VAL A 48 -13.409 0.700 -7.696 1.00 0.00 C ATOM 0 H VAL A 48 -16.900 -1.418 -7.579 1.00 0.00 H new ATOM 0 HA VAL A 48 -15.952 1.273 -6.904 1.00 0.00 H new ATOM 0 HB VAL A 48 -14.466 -0.643 -6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -13.490 -1.956 -8.263 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -15.252 -2.181 -8.150 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -14.569 -1.133 -9.416 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -12.457 0.182 -7.585 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -13.488 1.102 -8.706 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -13.464 1.516 -6.976 1.00 0.00 H new ATOM 754 N SER A 49 -17.169 1.637 -9.286 1.00 0.00 N ATOM 755 CA SER A 49 -17.430 2.190 -10.610 1.00 0.00 C ATOM 756 C SER A 49 -17.895 3.642 -10.513 1.00 0.00 C ATOM 757 O SER A 49 -18.156 4.146 -9.421 1.00 0.00 O ATOM 758 CB SER A 49 -18.487 1.354 -11.335 1.00 0.00 C ATOM 759 OG SER A 49 -18.480 0.013 -10.876 1.00 0.00 O ATOM 0 H SER A 49 -17.901 1.821 -8.600 1.00 0.00 H new ATOM 0 HA SER A 49 -16.500 2.162 -11.177 1.00 0.00 H new ATOM 0 HB2 SER A 49 -19.473 1.791 -11.176 1.00 0.00 H new ATOM 0 HB3 SER A 49 -18.299 1.375 -12.408 1.00 0.00 H new ATOM 0 HG SER A 49 -19.165 -0.500 -11.353 1.00 0.00 H new ATOM 765 N PRO A 50 -18.003 4.335 -11.660 1.00 0.00 N ATOM 766 CA PRO A 50 -18.437 5.734 -11.698 1.00 0.00 C ATOM 767 C PRO A 50 -19.749 5.955 -10.951 1.00 0.00 C ATOM 768 O PRO A 50 -20.006 7.043 -10.437 1.00 0.00 O ATOM 769 CB PRO A 50 -18.622 6.010 -13.192 1.00 0.00 C ATOM 770 CG PRO A 50 -17.718 5.039 -13.870 1.00 0.00 C ATOM 771 CD PRO A 50 -17.710 3.809 -13.006 1.00 0.00 C ATOM 0 HA PRO A 50 -17.718 6.395 -11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 50 -19.659 5.865 -13.496 1.00 0.00 H new ATOM 0 HB3 PRO A 50 -18.357 7.038 -13.441 1.00 0.00 H new ATOM 0 HG2 PRO A 50 -18.075 4.809 -14.874 1.00 0.00 H new ATOM 0 HG3 PRO A 50 -16.713 5.449 -13.975 1.00 0.00 H new ATOM 0 HD2 PRO A 50 -18.461 3.087 -13.328 1.00 0.00 H new ATOM 0 HD3 PRO A 50 -16.746 3.302 -13.038 1.00 0.00 H new ATOM 779 N GLN A 51 -20.573 4.914 -10.894 1.00 0.00 N ATOM 780 CA GLN A 51 -21.858 4.994 -10.210 1.00 0.00 C ATOM 781 C GLN A 51 -21.665 5.259 -8.720 1.00 0.00 C ATOM 782 O GLN A 51 -20.663 4.769 -8.157 1.00 0.00 O ATOM 783 CB GLN A 51 -22.648 3.700 -10.410 1.00 0.00 C ATOM 784 CG GLN A 51 -23.262 3.570 -11.795 1.00 0.00 C ATOM 785 CD GLN A 51 -24.767 3.756 -11.786 1.00 0.00 C ATOM 786 OE1 GLN A 51 -25.268 4.871 -11.933 1.00 0.00 O ATOM 787 NE2 GLN A 51 -25.497 2.660 -11.612 1.00 0.00 N ATOM 788 OXT GLN A 51 -22.517 5.955 -8.128 1.00 0.00 O ATOM 0 H GLN A 51 -20.374 4.006 -11.313 1.00 0.00 H new ATOM 0 HA GLN A 51 -22.419 5.824 -10.640 1.00 0.00 H new ATOM 0 HB2 GLN A 51 -21.989 2.850 -10.233 1.00 0.00 H new ATOM 0 HB3 GLN A 51 -23.441 3.649 -9.664 1.00 0.00 H new ATOM 0 HG2 GLN A 51 -22.812 4.309 -12.458 1.00 0.00 H new ATOM 0 HG3 GLN A 51 -23.024 2.588 -12.203 1.00 0.00 H new ATOM 0 HE21 GLN A 51 -25.040 1.756 -11.494 1.00 0.00 H new ATOM 0 HE22 GLN A 51 -26.515 2.722 -11.596 1.00 0.00 H new TER 797 GLN A 51