USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 263 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 NoAdj-H: A 26 HIS HE2 : A 26 HIS NE2 : A 181 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 181 ZNZN :(H bumps) 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 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 LYS NZ :NH3+ 164:sc= -0.0112 (180deg=-0.226) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 20 SER OG : rot 180:sc= -0.0597 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= -0.0881 K(o=-0.088,f=-1.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -9.725 -19.666 -3.235 1.00 0.00 N ATOM 2 CA GLY A 1 -10.500 -18.606 -3.854 1.00 0.00 C ATOM 3 C GLY A 1 -11.706 -19.133 -4.605 1.00 0.00 C ATOM 4 O GLY A 1 -11.679 -19.255 -5.830 1.00 0.00 O ATOM 0 H1 GLY A 1 -8.912 -19.254 -2.734 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.322 -20.183 -2.559 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.385 -20.321 -3.968 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -10.831 -17.906 -3.086 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -9.863 -18.048 -4.541 1.00 0.00 H new ATOM 8 N SER A 2 -12.768 -19.447 -3.870 1.00 0.00 N ATOM 9 CA SER A 2 -13.988 -19.969 -4.474 1.00 0.00 C ATOM 10 C SER A 2 -14.845 -18.837 -5.034 1.00 0.00 C ATOM 11 O SER A 2 -15.342 -18.917 -6.157 1.00 0.00 O ATOM 12 CB SER A 2 -14.790 -20.770 -3.446 1.00 0.00 C ATOM 13 OG SER A 2 -14.364 -22.121 -3.407 1.00 0.00 O ATOM 0 H SER A 2 -12.808 -19.349 -2.856 1.00 0.00 H new ATOM 0 HA SER A 2 -13.704 -20.627 -5.295 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.675 -20.320 -2.460 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.851 -20.727 -3.694 1.00 0.00 H new ATOM 0 HG SER A 2 -14.891 -22.611 -2.741 1.00 0.00 H new ATOM 19 N SER A 3 -15.012 -17.783 -4.242 1.00 0.00 N ATOM 20 CA SER A 3 -15.811 -16.635 -4.655 1.00 0.00 C ATOM 21 C SER A 3 -15.045 -15.770 -5.651 1.00 0.00 C ATOM 22 O SER A 3 -13.883 -16.035 -5.955 1.00 0.00 O ATOM 23 CB SER A 3 -16.210 -15.800 -3.437 1.00 0.00 C ATOM 24 OG SER A 3 -17.232 -16.440 -2.692 1.00 0.00 O ATOM 0 H SER A 3 -14.605 -17.700 -3.311 1.00 0.00 H new ATOM 0 HA SER A 3 -16.712 -17.007 -5.142 1.00 0.00 H new ATOM 0 HB2 SER A 3 -15.339 -15.639 -2.802 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.553 -14.818 -3.762 1.00 0.00 H new ATOM 0 HG SER A 3 -17.468 -15.887 -1.918 1.00 0.00 H new ATOM 30 N GLY A 4 -15.707 -14.733 -6.156 1.00 0.00 N ATOM 31 CA GLY A 4 -15.073 -13.844 -7.113 1.00 0.00 C ATOM 32 C GLY A 4 -14.360 -12.686 -6.444 1.00 0.00 C ATOM 33 O GLY A 4 -14.414 -11.554 -6.924 1.00 0.00 O ATOM 0 H GLY A 4 -16.670 -14.493 -5.920 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -14.359 -14.409 -7.712 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -15.827 -13.456 -7.798 1.00 0.00 H new ATOM 37 N SER A 5 -13.691 -12.969 -5.330 1.00 0.00 N ATOM 38 CA SER A 5 -12.969 -11.940 -4.591 1.00 0.00 C ATOM 39 C SER A 5 -11.505 -11.890 -5.019 1.00 0.00 C ATOM 40 O SER A 5 -10.752 -12.840 -4.806 1.00 0.00 O ATOM 41 CB SER A 5 -13.063 -12.203 -3.087 1.00 0.00 C ATOM 42 OG SER A 5 -12.205 -11.337 -2.363 1.00 0.00 O ATOM 0 H SER A 5 -13.634 -13.901 -4.920 1.00 0.00 H new ATOM 0 HA SER A 5 -13.428 -10.977 -4.814 1.00 0.00 H new ATOM 0 HB2 SER A 5 -14.091 -12.063 -2.754 1.00 0.00 H new ATOM 0 HB3 SER A 5 -12.799 -13.240 -2.879 1.00 0.00 H new ATOM 0 HG SER A 5 -12.285 -11.524 -1.404 1.00 0.00 H new ATOM 48 N SER A 6 -11.110 -10.775 -5.625 1.00 0.00 N ATOM 49 CA SER A 6 -9.738 -10.601 -6.087 1.00 0.00 C ATOM 50 C SER A 6 -9.134 -9.318 -5.525 1.00 0.00 C ATOM 51 O SER A 6 -9.519 -8.216 -5.911 1.00 0.00 O ATOM 52 CB SER A 6 -9.693 -10.572 -7.616 1.00 0.00 C ATOM 53 OG SER A 6 -10.010 -11.841 -8.161 1.00 0.00 O ATOM 0 H SER A 6 -11.721 -9.979 -5.807 1.00 0.00 H new ATOM 0 HA SER A 6 -9.150 -11.446 -5.729 1.00 0.00 H new ATOM 0 HB2 SER A 6 -10.396 -9.827 -7.989 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.700 -10.268 -7.948 1.00 0.00 H new ATOM 0 HG SER A 6 -9.976 -11.795 -9.139 1.00 0.00 H new ATOM 59 N GLY A 7 -8.183 -9.472 -4.608 1.00 0.00 N ATOM 60 CA GLY A 7 -7.540 -8.319 -4.006 1.00 0.00 C ATOM 61 C GLY A 7 -6.358 -7.825 -4.816 1.00 0.00 C ATOM 62 O GLY A 7 -6.234 -8.139 -6.000 1.00 0.00 O ATOM 0 H GLY A 7 -7.847 -10.374 -4.272 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -8.268 -7.514 -3.903 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -7.205 -8.577 -3.001 1.00 0.00 H new ATOM 66 N TYR A 8 -5.489 -7.049 -4.179 1.00 0.00 N ATOM 67 CA TYR A 8 -4.313 -6.507 -4.850 1.00 0.00 C ATOM 68 C TYR A 8 -3.037 -6.892 -4.108 1.00 0.00 C ATOM 69 O TYR A 8 -3.003 -6.915 -2.878 1.00 0.00 O ATOM 70 CB TYR A 8 -4.416 -4.984 -4.954 1.00 0.00 C ATOM 71 CG TYR A 8 -5.668 -4.509 -5.657 1.00 0.00 C ATOM 72 CD1 TYR A 8 -6.874 -4.403 -4.976 1.00 0.00 C ATOM 73 CD2 TYR A 8 -5.643 -4.164 -7.003 1.00 0.00 C ATOM 74 CE1 TYR A 8 -8.019 -3.970 -5.614 1.00 0.00 C ATOM 75 CE2 TYR A 8 -6.784 -3.729 -7.650 1.00 0.00 C ATOM 76 CZ TYR A 8 -7.970 -3.634 -6.951 1.00 0.00 C ATOM 77 OH TYR A 8 -9.108 -3.200 -7.590 1.00 0.00 O ATOM 0 H TYR A 8 -5.576 -6.781 -3.199 1.00 0.00 H new ATOM 0 HA TYR A 8 -4.271 -6.931 -5.853 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.388 -4.557 -3.952 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.544 -4.605 -5.487 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.917 -4.664 -3.929 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -4.716 -4.237 -7.553 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -8.948 -3.895 -5.069 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -6.748 -3.465 -8.697 1.00 0.00 H new ATOM 0 HH TYR A 8 -8.902 -3.004 -8.528 1.00 0.00 H new ATOM 87 N VAL A 9 -1.987 -7.193 -4.866 1.00 0.00 N ATOM 88 CA VAL A 9 -0.707 -7.575 -4.283 1.00 0.00 C ATOM 89 C VAL A 9 0.417 -6.678 -4.788 1.00 0.00 C ATOM 90 O VAL A 9 0.446 -6.300 -5.960 1.00 0.00 O ATOM 91 CB VAL A 9 -0.361 -9.042 -4.601 1.00 0.00 C ATOM 92 CG1 VAL A 9 1.019 -9.393 -4.067 1.00 0.00 C ATOM 93 CG2 VAL A 9 -1.417 -9.974 -4.028 1.00 0.00 C ATOM 0 H VAL A 9 -1.998 -7.179 -5.886 1.00 0.00 H new ATOM 0 HA VAL A 9 -0.804 -7.458 -3.204 1.00 0.00 H new ATOM 0 HB VAL A 9 -0.347 -9.168 -5.684 1.00 0.00 H new ATOM 0 HG11 VAL A 9 1.246 -10.433 -4.301 1.00 0.00 H new ATOM 0 HG12 VAL A 9 1.764 -8.746 -4.530 1.00 0.00 H new ATOM 0 HG13 VAL A 9 1.038 -9.252 -2.986 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -1.157 -11.006 -4.262 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -1.465 -9.848 -2.946 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -2.387 -9.737 -4.464 1.00 0.00 H new ATOM 103 N CYS A 10 1.343 -6.340 -3.897 1.00 0.00 N ATOM 104 CA CYS A 10 2.471 -5.487 -4.252 1.00 0.00 C ATOM 105 C CYS A 10 3.365 -6.168 -5.284 1.00 0.00 C ATOM 106 O CYS A 10 3.426 -7.395 -5.354 1.00 0.00 O ATOM 107 CB CYS A 10 3.286 -5.140 -3.005 1.00 0.00 C ATOM 108 SG CYS A 10 4.128 -3.527 -3.092 1.00 0.00 S ATOM 0 H CYS A 10 1.334 -6.644 -2.923 1.00 0.00 H new ATOM 0 HA CYS A 10 2.077 -4.569 -4.688 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.625 -5.146 -2.139 1.00 0.00 H new ATOM 0 HB3 CYS A 10 4.031 -5.919 -2.843 1.00 0.00 H new ATOM 113 N ALA A 11 4.057 -5.362 -6.083 1.00 0.00 N ATOM 114 CA ALA A 11 4.949 -5.886 -7.110 1.00 0.00 C ATOM 115 C ALA A 11 6.392 -5.922 -6.617 1.00 0.00 C ATOM 116 O ALA A 11 7.260 -6.524 -7.251 1.00 0.00 O ATOM 117 CB ALA A 11 4.843 -5.051 -8.377 1.00 0.00 C ATOM 0 H ALA A 11 4.017 -4.344 -6.039 1.00 0.00 H new ATOM 0 HA ALA A 11 4.644 -6.908 -7.335 1.00 0.00 H new ATOM 0 HB1 ALA A 11 5.514 -5.454 -9.135 1.00 0.00 H new ATOM 0 HB2 ALA A 11 3.818 -5.080 -8.747 1.00 0.00 H new ATOM 0 HB3 ALA A 11 5.120 -4.020 -8.158 1.00 0.00 H new ATOM 123 N LEU A 12 6.641 -5.275 -5.484 1.00 0.00 N ATOM 124 CA LEU A 12 7.980 -5.232 -4.906 1.00 0.00 C ATOM 125 C LEU A 12 8.100 -6.205 -3.738 1.00 0.00 C ATOM 126 O LEU A 12 8.909 -7.133 -3.768 1.00 0.00 O ATOM 127 CB LEU A 12 8.311 -3.814 -4.440 1.00 0.00 C ATOM 128 CG LEU A 12 8.130 -2.706 -5.478 1.00 0.00 C ATOM 129 CD1 LEU A 12 6.657 -2.373 -5.653 1.00 0.00 C ATOM 130 CD2 LEU A 12 8.916 -1.466 -5.078 1.00 0.00 C ATOM 0 H LEU A 12 5.934 -4.773 -4.947 1.00 0.00 H new ATOM 0 HA LEU A 12 8.691 -5.529 -5.677 1.00 0.00 H new ATOM 0 HB2 LEU A 12 7.686 -3.582 -3.577 1.00 0.00 H new ATOM 0 HB3 LEU A 12 9.346 -3.798 -4.098 1.00 0.00 H new ATOM 0 HG LEU A 12 8.516 -3.063 -6.433 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.548 -1.582 -6.396 1.00 0.00 H new ATOM 0 HD12 LEU A 12 6.120 -3.261 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 12 6.245 -2.036 -4.702 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.775 -0.688 -5.828 1.00 0.00 H new ATOM 0 HD22 LEU A 12 8.562 -1.107 -4.112 1.00 0.00 H new ATOM 0 HD23 LEU A 12 9.975 -1.714 -5.007 1.00 0.00 H new ATOM 142 N CYS A 13 7.287 -5.989 -2.709 1.00 0.00 N ATOM 143 CA CYS A 13 7.300 -6.847 -1.530 1.00 0.00 C ATOM 144 C CYS A 13 6.474 -8.108 -1.767 1.00 0.00 C ATOM 145 O CYS A 13 6.614 -9.099 -1.049 1.00 0.00 O ATOM 146 CB CYS A 13 6.758 -6.090 -0.316 1.00 0.00 C ATOM 147 SG CYS A 13 4.978 -5.713 -0.409 1.00 0.00 S ATOM 0 H CYS A 13 6.611 -5.227 -2.668 1.00 0.00 H new ATOM 0 HA CYS A 13 8.332 -7.140 -1.336 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.947 -6.680 0.581 1.00 0.00 H new ATOM 0 HB3 CYS A 13 7.311 -5.157 -0.206 1.00 0.00 H new ATOM 152 N LEU A 14 5.613 -8.064 -2.778 1.00 0.00 N ATOM 153 CA LEU A 14 4.764 -9.203 -3.110 1.00 0.00 C ATOM 154 C LEU A 14 3.837 -9.549 -1.949 1.00 0.00 C ATOM 155 O LEU A 14 3.596 -10.721 -1.660 1.00 0.00 O ATOM 156 CB LEU A 14 5.623 -10.417 -3.470 1.00 0.00 C ATOM 157 CG LEU A 14 6.301 -10.376 -4.841 1.00 0.00 C ATOM 158 CD1 LEU A 14 5.266 -10.474 -5.951 1.00 0.00 C ATOM 159 CD2 LEU A 14 7.128 -9.108 -4.990 1.00 0.00 C ATOM 0 H LEU A 14 5.484 -7.252 -3.382 1.00 0.00 H new ATOM 0 HA LEU A 14 4.153 -8.930 -3.970 1.00 0.00 H new ATOM 0 HB2 LEU A 14 6.395 -10.530 -2.708 1.00 0.00 H new ATOM 0 HB3 LEU A 14 4.996 -11.307 -3.423 1.00 0.00 H new ATOM 0 HG LEU A 14 6.970 -11.233 -4.920 1.00 0.00 H new ATOM 0 HD11 LEU A 14 5.766 -10.443 -6.919 1.00 0.00 H new ATOM 0 HD12 LEU A 14 4.718 -11.411 -5.856 1.00 0.00 H new ATOM 0 HD13 LEU A 14 4.571 -9.638 -5.875 1.00 0.00 H new ATOM 0 HD21 LEU A 14 7.603 -9.096 -5.971 1.00 0.00 H new ATOM 0 HD22 LEU A 14 6.480 -8.237 -4.890 1.00 0.00 H new ATOM 0 HD23 LEU A 14 7.895 -9.081 -4.216 1.00 0.00 H new ATOM 171 N LYS A 15 3.318 -8.520 -1.287 1.00 0.00 N ATOM 172 CA LYS A 15 2.414 -8.713 -0.159 1.00 0.00 C ATOM 173 C LYS A 15 0.959 -8.593 -0.602 1.00 0.00 C ATOM 174 O LYS A 15 0.622 -7.763 -1.446 1.00 0.00 O ATOM 175 CB LYS A 15 2.710 -7.690 0.939 1.00 0.00 C ATOM 176 CG LYS A 15 1.757 -7.770 2.118 1.00 0.00 C ATOM 177 CD LYS A 15 2.171 -6.827 3.236 1.00 0.00 C ATOM 178 CE LYS A 15 1.379 -7.088 4.508 1.00 0.00 C ATOM 179 NZ LYS A 15 1.728 -8.400 5.119 1.00 0.00 N ATOM 0 H LYS A 15 3.508 -7.544 -1.512 1.00 0.00 H new ATOM 0 HA LYS A 15 2.574 -9.716 0.236 1.00 0.00 H new ATOM 0 HB2 LYS A 15 3.729 -7.837 1.296 1.00 0.00 H new ATOM 0 HB3 LYS A 15 2.663 -6.688 0.512 1.00 0.00 H new ATOM 0 HG2 LYS A 15 0.748 -7.524 1.788 1.00 0.00 H new ATOM 0 HG3 LYS A 15 1.729 -8.792 2.495 1.00 0.00 H new ATOM 0 HD2 LYS A 15 3.235 -6.946 3.438 1.00 0.00 H new ATOM 0 HD3 LYS A 15 2.020 -5.795 2.918 1.00 0.00 H new ATOM 0 HE2 LYS A 15 1.571 -6.290 5.226 1.00 0.00 H new ATOM 0 HE3 LYS A 15 0.313 -7.064 4.283 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 1.386 -8.428 6.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 1.282 -9.166 4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 2.761 -8.524 5.108 1.00 0.00 H new ATOM 193 N LYS A 16 0.100 -9.427 -0.025 1.00 0.00 N ATOM 194 CA LYS A 16 -1.320 -9.413 -0.357 1.00 0.00 C ATOM 195 C LYS A 16 -2.044 -8.304 0.399 1.00 0.00 C ATOM 196 O LYS A 16 -1.807 -8.091 1.588 1.00 0.00 O ATOM 197 CB LYS A 16 -1.954 -10.766 -0.029 1.00 0.00 C ATOM 198 CG LYS A 16 -3.118 -11.128 -0.936 1.00 0.00 C ATOM 199 CD LYS A 16 -4.409 -10.474 -0.474 1.00 0.00 C ATOM 200 CE LYS A 16 -5.424 -10.387 -1.604 1.00 0.00 C ATOM 201 NZ LYS A 16 -6.116 -11.686 -1.830 1.00 0.00 N ATOM 0 H LYS A 16 0.363 -10.121 0.675 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.416 -9.223 -1.426 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -1.192 -11.542 -0.102 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -2.299 -10.755 1.005 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -2.896 -10.816 -1.957 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -3.244 -12.211 -0.954 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -4.832 -11.044 0.353 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -4.197 -9.474 -0.096 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -6.161 -9.619 -1.371 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -4.921 -10.079 -2.521 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -6.799 -11.585 -2.608 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -5.416 -12.414 -2.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -6.617 -11.968 -0.963 1.00 0.00 H new ATOM 215 N PHE A 17 -2.930 -7.600 -0.298 1.00 0.00 N ATOM 216 CA PHE A 17 -3.690 -6.513 0.307 1.00 0.00 C ATOM 217 C PHE A 17 -5.190 -6.730 0.125 1.00 0.00 C ATOM 218 O PHE A 17 -5.615 -7.654 -0.568 1.00 0.00 O ATOM 219 CB PHE A 17 -3.280 -5.172 -0.306 1.00 0.00 C ATOM 220 CG PHE A 17 -1.866 -4.776 0.011 1.00 0.00 C ATOM 221 CD1 PHE A 17 -0.799 -5.457 -0.554 1.00 0.00 C ATOM 222 CD2 PHE A 17 -1.604 -3.724 0.873 1.00 0.00 C ATOM 223 CE1 PHE A 17 0.503 -5.095 -0.265 1.00 0.00 C ATOM 224 CE2 PHE A 17 -0.303 -3.357 1.165 1.00 0.00 C ATOM 225 CZ PHE A 17 0.751 -4.044 0.596 1.00 0.00 C ATOM 0 H PHE A 17 -3.139 -7.763 -1.283 1.00 0.00 H new ATOM 0 HA PHE A 17 -3.469 -6.500 1.374 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -3.401 -5.224 -1.388 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -3.956 -4.396 0.053 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -0.987 -6.280 -1.228 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.425 -3.184 1.322 1.00 0.00 H new ATOM 0 HE1 PHE A 17 1.326 -5.633 -0.712 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.112 -2.534 1.837 1.00 0.00 H new ATOM 0 HZ PHE A 17 1.768 -3.760 0.824 1.00 0.00 H new ATOM 235 N VAL A 18 -5.987 -5.872 0.754 1.00 0.00 N ATOM 236 CA VAL A 18 -7.438 -5.968 0.662 1.00 0.00 C ATOM 237 C VAL A 18 -7.973 -5.130 -0.494 1.00 0.00 C ATOM 238 O VAL A 18 -8.935 -5.513 -1.159 1.00 0.00 O ATOM 239 CB VAL A 18 -8.115 -5.512 1.968 1.00 0.00 C ATOM 240 CG1 VAL A 18 -7.712 -4.085 2.309 1.00 0.00 C ATOM 241 CG2 VAL A 18 -9.627 -5.635 1.856 1.00 0.00 C ATOM 0 H VAL A 18 -5.651 -5.102 1.333 1.00 0.00 H new ATOM 0 HA VAL A 18 -7.674 -7.017 0.486 1.00 0.00 H new ATOM 0 HB VAL A 18 -7.780 -6.162 2.776 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.200 -3.780 3.235 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -6.631 -4.033 2.435 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -8.016 -3.418 1.502 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.089 -5.309 2.788 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.983 -5.011 1.036 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -9.894 -6.674 1.663 1.00 0.00 H new ATOM 251 N SER A 19 -7.341 -3.984 -0.728 1.00 0.00 N ATOM 252 CA SER A 19 -7.755 -3.089 -1.802 1.00 0.00 C ATOM 253 C SER A 19 -6.545 -2.435 -2.461 1.00 0.00 C ATOM 254 O SER A 19 -5.487 -2.301 -1.847 1.00 0.00 O ATOM 255 CB SER A 19 -8.700 -2.013 -1.263 1.00 0.00 C ATOM 256 OG SER A 19 -9.585 -1.559 -2.272 1.00 0.00 O ATOM 0 H SER A 19 -6.541 -3.654 -0.188 1.00 0.00 H new ATOM 0 HA SER A 19 -8.280 -3.681 -2.552 1.00 0.00 H new ATOM 0 HB2 SER A 19 -9.272 -2.413 -0.426 1.00 0.00 H new ATOM 0 HB3 SER A 19 -8.120 -1.174 -0.880 1.00 0.00 H new ATOM 0 HG SER A 19 -10.179 -0.873 -1.902 1.00 0.00 H new ATOM 262 N SER A 20 -6.709 -2.030 -3.717 1.00 0.00 N ATOM 263 CA SER A 20 -5.629 -1.393 -4.462 1.00 0.00 C ATOM 264 C SER A 20 -5.041 -0.226 -3.675 1.00 0.00 C ATOM 265 O SER A 20 -3.831 -0.161 -3.452 1.00 0.00 O ATOM 266 CB SER A 20 -6.138 -0.903 -5.819 1.00 0.00 C ATOM 267 OG SER A 20 -7.270 -0.065 -5.667 1.00 0.00 O ATOM 0 H SER A 20 -7.579 -2.132 -4.240 1.00 0.00 H new ATOM 0 HA SER A 20 -4.845 -2.133 -4.621 1.00 0.00 H new ATOM 0 HB2 SER A 20 -5.346 -0.359 -6.333 1.00 0.00 H new ATOM 0 HB3 SER A 20 -6.396 -1.758 -6.444 1.00 0.00 H new ATOM 0 HG SER A 20 -7.575 0.236 -6.548 1.00 0.00 H new ATOM 273 N ILE A 21 -5.904 0.693 -3.257 1.00 0.00 N ATOM 274 CA ILE A 21 -5.471 1.857 -2.495 1.00 0.00 C ATOM 275 C ILE A 21 -4.424 1.474 -1.454 1.00 0.00 C ATOM 276 O ILE A 21 -3.318 2.014 -1.443 1.00 0.00 O ATOM 277 CB ILE A 21 -6.656 2.540 -1.787 1.00 0.00 C ATOM 278 CG1 ILE A 21 -7.709 2.973 -2.810 1.00 0.00 C ATOM 279 CG2 ILE A 21 -6.174 3.734 -0.977 1.00 0.00 C ATOM 280 CD1 ILE A 21 -7.193 3.972 -3.821 1.00 0.00 C ATOM 0 H ILE A 21 -6.908 0.654 -3.433 1.00 0.00 H new ATOM 0 HA ILE A 21 -5.033 2.555 -3.208 1.00 0.00 H new ATOM 0 HB ILE A 21 -7.113 1.824 -1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -8.076 2.092 -3.336 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -8.559 3.407 -2.283 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.024 4.205 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -5.458 3.399 -0.227 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.695 4.454 -1.640 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -7.992 4.234 -4.514 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -6.852 4.869 -3.305 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.362 3.534 -4.374 1.00 0.00 H new ATOM 292 N ARG A 22 -4.781 0.536 -0.582 1.00 0.00 N ATOM 293 CA ARG A 22 -3.872 0.080 0.463 1.00 0.00 C ATOM 294 C ARG A 22 -2.499 -0.248 -0.116 1.00 0.00 C ATOM 295 O ARG A 22 -1.470 0.025 0.504 1.00 0.00 O ATOM 296 CB ARG A 22 -4.448 -1.150 1.167 1.00 0.00 C ATOM 297 CG ARG A 22 -5.838 -0.929 1.739 1.00 0.00 C ATOM 298 CD ARG A 22 -5.785 -0.170 3.056 1.00 0.00 C ATOM 299 NE ARG A 22 -5.258 -0.992 4.141 1.00 0.00 N ATOM 300 CZ ARG A 22 -5.149 -0.570 5.396 1.00 0.00 C ATOM 301 NH1 ARG A 22 -5.527 0.658 5.722 1.00 0.00 N ATOM 302 NH2 ARG A 22 -4.660 -1.378 6.329 1.00 0.00 N ATOM 0 H ARG A 22 -5.692 0.078 -0.579 1.00 0.00 H new ATOM 0 HA ARG A 22 -3.758 0.886 1.188 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -4.483 -1.979 0.461 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.776 -1.445 1.972 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -6.443 -0.374 1.022 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -6.327 -1.891 1.892 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -5.163 0.717 2.938 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -6.786 0.175 3.316 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.957 -1.942 3.924 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -5.903 1.282 5.008 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -5.442 0.979 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.368 -2.324 6.083 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.577 -1.053 7.292 1.00 0.00 H new ATOM 316 N LEU A 23 -2.490 -0.836 -1.308 1.00 0.00 N ATOM 317 CA LEU A 23 -1.244 -1.202 -1.971 1.00 0.00 C ATOM 318 C LEU A 23 -0.541 0.031 -2.529 1.00 0.00 C ATOM 319 O LEU A 23 0.614 0.302 -2.201 1.00 0.00 O ATOM 320 CB LEU A 23 -1.517 -2.201 -3.097 1.00 0.00 C ATOM 321 CG LEU A 23 -0.479 -2.247 -4.219 1.00 0.00 C ATOM 322 CD1 LEU A 23 0.891 -2.607 -3.666 1.00 0.00 C ATOM 323 CD2 LEU A 23 -0.900 -3.240 -5.294 1.00 0.00 C ATOM 0 H LEU A 23 -3.332 -1.069 -1.834 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.591 -1.666 -1.232 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.596 -3.197 -2.661 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -2.487 -1.967 -3.536 1.00 0.00 H new ATOM 0 HG LEU A 23 -0.416 -1.257 -4.670 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.616 -2.635 -4.480 1.00 0.00 H new ATOM 0 HD12 LEU A 23 1.196 -1.859 -2.934 1.00 0.00 H new ATOM 0 HD13 LEU A 23 0.845 -3.585 -3.188 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.150 -3.260 -6.085 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -0.992 -4.234 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.860 -2.938 -5.712 1.00 0.00 H new ATOM 335 N ARG A 24 -1.247 0.777 -3.373 1.00 0.00 N ATOM 336 CA ARG A 24 -0.691 1.982 -3.976 1.00 0.00 C ATOM 337 C ARG A 24 0.117 2.778 -2.956 1.00 0.00 C ATOM 338 O ARG A 24 1.335 2.908 -3.079 1.00 0.00 O ATOM 339 CB ARG A 24 -1.810 2.854 -4.549 1.00 0.00 C ATOM 340 CG ARG A 24 -2.442 2.285 -5.809 1.00 0.00 C ATOM 341 CD ARG A 24 -3.896 2.711 -5.944 1.00 0.00 C ATOM 342 NE ARG A 24 -4.444 2.376 -7.256 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.305 3.146 -8.329 1.00 0.00 C ATOM 344 NH1 ARG A 24 -3.639 4.289 -8.248 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.833 2.772 -9.488 1.00 0.00 N ATOM 0 H ARG A 24 -2.205 0.568 -3.654 1.00 0.00 H new ATOM 0 HA ARG A 24 -0.025 1.679 -4.784 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.583 2.982 -3.791 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -1.411 3.844 -4.768 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -1.881 2.620 -6.682 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.381 1.197 -5.789 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -4.489 2.226 -5.169 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -3.976 3.786 -5.781 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.962 1.503 -7.353 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -3.231 4.580 -7.359 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -3.534 4.878 -9.074 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.346 1.893 -9.555 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.726 3.364 -10.312 1.00 0.00 H new ATOM 359 N SER A 25 -0.570 3.308 -1.949 1.00 0.00 N ATOM 360 CA SER A 25 0.083 4.095 -0.909 1.00 0.00 C ATOM 361 C SER A 25 1.155 3.274 -0.199 1.00 0.00 C ATOM 362 O SER A 25 2.287 3.727 -0.025 1.00 0.00 O ATOM 363 CB SER A 25 -0.948 4.594 0.106 1.00 0.00 C ATOM 364 OG SER A 25 -0.465 5.726 0.808 1.00 0.00 O ATOM 0 H SER A 25 -1.578 3.207 -1.831 1.00 0.00 H new ATOM 0 HA SER A 25 0.561 4.952 -1.383 1.00 0.00 H new ATOM 0 HB2 SER A 25 -1.875 4.849 -0.408 1.00 0.00 H new ATOM 0 HB3 SER A 25 -1.183 3.797 0.812 1.00 0.00 H new ATOM 0 HG SER A 25 -1.142 6.027 1.449 1.00 0.00 H new ATOM 370 N HIS A 26 0.791 2.062 0.209 1.00 0.00 N ATOM 371 CA HIS A 26 1.721 1.176 0.899 1.00 0.00 C ATOM 372 C HIS A 26 3.110 1.252 0.273 1.00 0.00 C ATOM 373 O HIS A 26 4.111 1.398 0.975 1.00 0.00 O ATOM 374 CB HIS A 26 1.210 -0.264 0.862 1.00 0.00 C ATOM 375 CG HIS A 26 2.300 -1.289 0.918 1.00 0.00 C ATOM 376 ND1 HIS A 26 2.671 -1.932 2.080 1.00 0.00 N ATOM 377 CD2 HIS A 26 3.102 -1.782 -0.055 1.00 0.00 C ATOM 378 CE1 HIS A 26 3.653 -2.775 1.820 1.00 0.00 C ATOM 379 NE2 HIS A 26 3.934 -2.704 0.531 1.00 0.00 N ATOM 0 H HIS A 26 -0.141 1.671 0.073 1.00 0.00 H new ATOM 0 HA HIS A 26 1.791 1.501 1.937 1.00 0.00 H new ATOM 0 HB2 HIS A 26 0.531 -0.421 1.700 1.00 0.00 H new ATOM 0 HB3 HIS A 26 0.630 -0.412 -0.049 1.00 0.00 H new ATOM 0 HD1 HIS A 26 2.252 -1.780 2.997 1.00 0.00 H new ATOM 0 HD2 HIS A 26 3.090 -1.502 -1.098 1.00 0.00 H new ATOM 0 HE1 HIS A 26 4.144 -3.414 2.539 1.00 0.00 H new ATOM 387 N ILE A 27 3.163 1.150 -1.051 1.00 0.00 N ATOM 388 CA ILE A 27 4.429 1.207 -1.771 1.00 0.00 C ATOM 389 C ILE A 27 5.179 2.498 -1.463 1.00 0.00 C ATOM 390 O ILE A 27 6.404 2.501 -1.336 1.00 0.00 O ATOM 391 CB ILE A 27 4.216 1.101 -3.293 1.00 0.00 C ATOM 392 CG1 ILE A 27 3.550 -0.231 -3.645 1.00 0.00 C ATOM 393 CG2 ILE A 27 5.542 1.246 -4.025 1.00 0.00 C ATOM 394 CD1 ILE A 27 2.831 -0.214 -4.976 1.00 0.00 C ATOM 0 H ILE A 27 2.344 1.028 -1.647 1.00 0.00 H new ATOM 0 HA ILE A 27 5.022 0.356 -1.435 1.00 0.00 H new ATOM 0 HB ILE A 27 3.558 1.910 -3.610 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.308 -1.014 -3.661 1.00 0.00 H new ATOM 0 HG13 ILE A 27 2.839 -0.491 -2.861 1.00 0.00 H new ATOM 0 HG21 ILE A 27 5.375 1.169 -5.099 1.00 0.00 H new ATOM 0 HG22 ILE A 27 5.980 2.217 -3.795 1.00 0.00 H new ATOM 0 HG23 ILE A 27 6.222 0.456 -3.706 1.00 0.00 H new ATOM 0 HD11 ILE A 27 2.383 -1.191 -5.160 1.00 0.00 H new ATOM 0 HD12 ILE A 27 2.050 0.546 -4.958 1.00 0.00 H new ATOM 0 HD13 ILE A 27 3.541 0.015 -5.770 1.00 0.00 H new ATOM 406 N ARG A 28 4.436 3.593 -1.341 1.00 0.00 N ATOM 407 CA ARG A 28 5.031 4.891 -1.047 1.00 0.00 C ATOM 408 C ARG A 28 5.400 4.997 0.430 1.00 0.00 C ATOM 409 O ARG A 28 6.052 5.953 0.849 1.00 0.00 O ATOM 410 CB ARG A 28 4.065 6.016 -1.425 1.00 0.00 C ATOM 411 CG ARG A 28 3.311 5.762 -2.720 1.00 0.00 C ATOM 412 CD ARG A 28 4.260 5.646 -3.903 1.00 0.00 C ATOM 413 NE ARG A 28 3.641 6.096 -5.147 1.00 0.00 N ATOM 414 CZ ARG A 28 3.402 7.372 -5.428 1.00 0.00 C ATOM 415 NH1 ARG A 28 3.728 8.319 -4.559 1.00 0.00 N ATOM 416 NH2 ARG A 28 2.836 7.703 -6.582 1.00 0.00 N ATOM 0 H ARG A 28 3.421 3.607 -1.441 1.00 0.00 H new ATOM 0 HA ARG A 28 5.941 4.989 -1.639 1.00 0.00 H new ATOM 0 HB2 ARG A 28 3.346 6.153 -0.617 1.00 0.00 H new ATOM 0 HB3 ARG A 28 4.623 6.948 -1.516 1.00 0.00 H new ATOM 0 HG2 ARG A 28 2.727 4.846 -2.629 1.00 0.00 H new ATOM 0 HG3 ARG A 28 2.605 6.573 -2.897 1.00 0.00 H new ATOM 0 HD2 ARG A 28 5.155 6.237 -3.709 1.00 0.00 H new ATOM 0 HD3 ARG A 28 4.580 4.610 -4.011 1.00 0.00 H new ATOM 0 HE ARG A 28 3.378 5.392 -5.837 1.00 0.00 H new ATOM 0 HH11 ARG A 28 4.164 8.069 -3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 28 3.543 9.298 -4.778 1.00 0.00 H new ATOM 0 HH21 ARG A 28 2.584 6.977 -7.253 1.00 0.00 H new ATOM 0 HH22 ARG A 28 2.653 8.683 -6.798 1.00 0.00 H new ATOM 430 N GLU A 29 4.978 4.010 1.213 1.00 0.00 N ATOM 431 CA GLU A 29 5.263 3.994 2.643 1.00 0.00 C ATOM 432 C GLU A 29 6.458 3.095 2.949 1.00 0.00 C ATOM 433 O GLU A 29 7.330 3.452 3.741 1.00 0.00 O ATOM 434 CB GLU A 29 4.038 3.516 3.425 1.00 0.00 C ATOM 435 CG GLU A 29 2.804 4.376 3.208 1.00 0.00 C ATOM 436 CD GLU A 29 3.036 5.831 3.569 1.00 0.00 C ATOM 437 OE1 GLU A 29 3.847 6.093 4.481 1.00 0.00 O ATOM 438 OE2 GLU A 29 2.405 6.706 2.940 1.00 0.00 O ATOM 0 H GLU A 29 4.438 3.211 0.882 1.00 0.00 H new ATOM 0 HA GLU A 29 5.507 5.011 2.950 1.00 0.00 H new ATOM 0 HB2 GLU A 29 3.811 2.490 3.136 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.279 3.502 4.488 1.00 0.00 H new ATOM 0 HG2 GLU A 29 2.498 4.309 2.164 1.00 0.00 H new ATOM 0 HG3 GLU A 29 1.982 3.983 3.807 1.00 0.00 H new ATOM 445 N VAL A 30 6.489 1.926 2.317 1.00 0.00 N ATOM 446 CA VAL A 30 7.576 0.976 2.521 1.00 0.00 C ATOM 447 C VAL A 30 8.592 1.052 1.387 1.00 0.00 C ATOM 448 O VAL A 30 9.794 0.890 1.605 1.00 0.00 O ATOM 449 CB VAL A 30 7.047 -0.467 2.625 1.00 0.00 C ATOM 450 CG1 VAL A 30 6.069 -0.595 3.783 1.00 0.00 C ATOM 451 CG2 VAL A 30 6.396 -0.891 1.318 1.00 0.00 C ATOM 0 H VAL A 30 5.774 1.614 1.660 1.00 0.00 H new ATOM 0 HA VAL A 30 8.061 1.246 3.459 1.00 0.00 H new ATOM 0 HB VAL A 30 7.890 -1.131 2.817 1.00 0.00 H new ATOM 0 HG11 VAL A 30 5.706 -1.621 3.841 1.00 0.00 H new ATOM 0 HG12 VAL A 30 6.572 -0.335 4.714 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.227 0.079 3.625 1.00 0.00 H new ATOM 0 HG21 VAL A 30 6.028 -1.913 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.564 -0.224 1.093 1.00 0.00 H new ATOM 0 HG23 VAL A 30 7.129 -0.840 0.513 1.00 0.00 H new ATOM 461 N HIS A 31 8.103 1.300 0.177 1.00 0.00 N ATOM 462 CA HIS A 31 8.970 1.400 -0.992 1.00 0.00 C ATOM 463 C HIS A 31 9.123 2.852 -1.434 1.00 0.00 C ATOM 464 O HIS A 31 9.855 3.151 -2.376 1.00 0.00 O ATOM 465 CB HIS A 31 8.409 0.562 -2.142 1.00 0.00 C ATOM 466 CG HIS A 31 8.008 -0.823 -1.734 1.00 0.00 C ATOM 467 ND1 HIS A 31 8.850 -1.681 -1.059 1.00 0.00 N ATOM 468 CD2 HIS A 31 6.847 -1.496 -1.909 1.00 0.00 C ATOM 469 CE1 HIS A 31 8.225 -2.823 -0.837 1.00 0.00 C ATOM 470 NE2 HIS A 31 7.007 -2.737 -1.342 1.00 0.00 N ATOM 0 H HIS A 31 7.111 1.435 -0.020 1.00 0.00 H new ATOM 0 HA HIS A 31 9.953 1.017 -0.718 1.00 0.00 H new ATOM 0 HB2 HIS A 31 7.543 1.073 -2.564 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.157 0.497 -2.932 1.00 0.00 H new ATOM 0 HD1 HIS A 31 9.806 -1.467 -0.775 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.960 -1.126 -2.402 1.00 0.00 H new ATOM 0 HE1 HIS A 31 8.639 -3.681 -0.329 1.00 0.00 H new ATOM 478 N GLY A 32 8.425 3.751 -0.746 1.00 0.00 N ATOM 479 CA GLY A 32 8.497 5.161 -1.082 1.00 0.00 C ATOM 480 C GLY A 32 8.646 5.395 -2.572 1.00 0.00 C ATOM 481 O GLY A 32 9.398 6.271 -2.998 1.00 0.00 O ATOM 0 H GLY A 32 7.811 3.528 0.038 1.00 0.00 H new ATOM 0 HA2 GLY A 32 7.597 5.662 -0.727 1.00 0.00 H new ATOM 0 HA3 GLY A 32 9.340 5.613 -0.560 1.00 0.00 H new ATOM 485 N ALA A 33 7.929 4.608 -3.368 1.00 0.00 N ATOM 486 CA ALA A 33 7.984 4.734 -4.819 1.00 0.00 C ATOM 487 C ALA A 33 7.593 6.139 -5.263 1.00 0.00 C ATOM 488 O ALA A 33 6.417 6.424 -5.488 1.00 0.00 O ATOM 489 CB ALA A 33 7.079 3.700 -5.473 1.00 0.00 C ATOM 0 H ALA A 33 7.303 3.876 -3.032 1.00 0.00 H new ATOM 0 HA ALA A 33 9.011 4.554 -5.136 1.00 0.00 H new ATOM 0 HB1 ALA A 33 7.130 3.806 -6.557 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.406 2.699 -5.190 1.00 0.00 H new ATOM 0 HB3 ALA A 33 6.052 3.853 -5.141 1.00 0.00 H new ATOM 495 N ALA A 34 8.586 7.013 -5.388 1.00 0.00 N ATOM 496 CA ALA A 34 8.345 8.388 -5.807 1.00 0.00 C ATOM 497 C ALA A 34 9.331 8.812 -6.890 1.00 0.00 C ATOM 498 O ALA A 34 10.457 9.212 -6.595 1.00 0.00 O ATOM 499 CB ALA A 34 8.434 9.327 -4.613 1.00 0.00 C ATOM 0 H ALA A 34 9.565 6.793 -5.205 1.00 0.00 H new ATOM 0 HA ALA A 34 7.340 8.444 -6.225 1.00 0.00 H new ATOM 0 HB1 ALA A 34 8.252 10.351 -4.941 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.686 9.045 -3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 34 9.428 9.259 -4.170 1.00 0.00 H new ATOM 505 N GLN A 35 8.900 8.721 -8.144 1.00 0.00 N ATOM 506 CA GLN A 35 9.746 9.095 -9.271 1.00 0.00 C ATOM 507 C GLN A 35 9.133 10.253 -10.052 1.00 0.00 C ATOM 508 O GLN A 35 8.259 10.020 -10.886 1.00 0.00 O ATOM 509 CB GLN A 35 9.958 7.895 -10.197 1.00 0.00 C ATOM 510 CG GLN A 35 10.663 8.247 -11.497 1.00 0.00 C ATOM 511 CD GLN A 35 11.270 7.036 -12.178 1.00 0.00 C ATOM 512 OE1 GLN A 35 11.647 6.065 -11.521 1.00 0.00 O ATOM 513 NE2 GLN A 35 11.369 7.088 -13.501 1.00 0.00 N ATOM 0 H GLN A 35 7.971 8.392 -8.405 1.00 0.00 H new ATOM 0 HA GLN A 35 10.710 9.417 -8.878 1.00 0.00 H new ATOM 0 HB2 GLN A 35 10.541 7.139 -9.671 1.00 0.00 H new ATOM 0 HB3 GLN A 35 8.991 7.449 -10.427 1.00 0.00 H new ATOM 0 HG2 GLN A 35 9.953 8.722 -12.174 1.00 0.00 H new ATOM 0 HG3 GLN A 35 11.447 8.976 -11.295 1.00 0.00 H new ATOM 0 HE21 GLN A 35 11.044 7.913 -14.005 1.00 0.00 H new ATOM 0 HE22 GLN A 35 11.770 6.303 -14.014 1.00 0.00 H new TER 522 GLN A 35 HETATM 523 ZN ZN A 181 5.056 -3.378 -0.906 1.00 0.00 ZN