USER MOD reduce.3.24.130724 H: found=0, std=0, add=265, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 265 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 101 ZNZN :(H bumps) USER MOD NoAdj-H: A 31 HIS HE2 : A 31 HIS NE2 : A 101 ZNZN :(H bumps) USER MOD Set 1.1: A 6 SER OG : rot 125:sc= 0.741 USER MOD Set 1.2: A 16 LYS NZ :NH3+ -179:sc= 0.834 (180deg=0) USER MOD Single : A 1 GLY N :NH3+ 133:sc= 0.0218 (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 8 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 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 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 35 GLN : amide:sc= 0.297 K(o=0.3,f=-3.2!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -17.916 -10.255 -8.107 1.00 0.00 N ATOM 2 CA GLY A 1 -17.201 -10.935 -9.208 1.00 0.00 C ATOM 3 C GLY A 1 -16.051 -11.781 -8.684 1.00 0.00 C ATOM 4 O GLY A 1 -15.389 -11.403 -7.712 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.059 -9.254 -8.352 1.00 0.00 H new ATOM 0 H2 GLY A 1 -18.839 -10.711 -7.959 1.00 0.00 H new ATOM 0 H3 GLY A 1 -17.353 -10.321 -7.235 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -17.897 -11.566 -9.760 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -16.819 -10.193 -9.909 1.00 0.00 H new ATOM 10 N SER A 2 -15.795 -12.931 -9.316 1.00 0.00 N ATOM 11 CA SER A 2 -14.757 -13.896 -8.908 1.00 0.00 C ATOM 12 C SER A 2 -13.355 -13.270 -8.868 1.00 0.00 C ATOM 13 O SER A 2 -12.955 -12.552 -9.789 1.00 0.00 O ATOM 14 CB SER A 2 -14.746 -15.106 -9.852 1.00 0.00 C ATOM 15 OG SER A 2 -16.030 -15.717 -9.890 1.00 0.00 O ATOM 0 H SER A 2 -16.312 -13.227 -10.144 1.00 0.00 H new ATOM 0 HA SER A 2 -15.009 -14.215 -7.897 1.00 0.00 H new ATOM 0 HB2 SER A 2 -14.457 -14.791 -10.854 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.002 -15.829 -9.518 1.00 0.00 H new ATOM 0 HG SER A 2 -16.009 -16.486 -10.497 1.00 0.00 H new ATOM 21 N SER A 3 -12.608 -13.542 -7.790 1.00 0.00 N ATOM 22 CA SER A 3 -11.270 -12.984 -7.500 1.00 0.00 C ATOM 23 C SER A 3 -11.187 -11.440 -7.456 1.00 0.00 C ATOM 24 O SER A 3 -10.092 -10.874 -7.542 1.00 0.00 O ATOM 25 CB SER A 3 -10.201 -13.604 -8.417 1.00 0.00 C ATOM 26 OG SER A 3 -10.234 -15.024 -8.348 1.00 0.00 O ATOM 0 H SER A 3 -12.928 -14.182 -7.063 1.00 0.00 H new ATOM 0 HA SER A 3 -11.059 -13.277 -6.472 1.00 0.00 H new ATOM 0 HB2 SER A 3 -10.367 -13.282 -9.445 1.00 0.00 H new ATOM 0 HB3 SER A 3 -9.214 -13.245 -8.126 1.00 0.00 H new ATOM 0 HG SER A 3 -9.547 -15.396 -8.940 1.00 0.00 H new ATOM 32 N GLY A 4 -12.322 -10.744 -7.309 1.00 0.00 N ATOM 33 CA GLY A 4 -12.390 -9.286 -7.145 1.00 0.00 C ATOM 34 C GLY A 4 -11.950 -8.794 -5.756 1.00 0.00 C ATOM 35 O GLY A 4 -11.799 -9.581 -4.815 1.00 0.00 O ATOM 0 H GLY A 4 -13.240 -11.189 -7.301 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.762 -8.815 -7.902 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.413 -8.957 -7.329 1.00 0.00 H new ATOM 39 N SER A 5 -11.755 -7.480 -5.624 1.00 0.00 N ATOM 40 CA SER A 5 -11.332 -6.807 -4.381 1.00 0.00 C ATOM 41 C SER A 5 -11.959 -5.412 -4.217 1.00 0.00 C ATOM 42 O SER A 5 -12.373 -4.775 -5.190 1.00 0.00 O ATOM 43 CB SER A 5 -9.798 -6.720 -4.318 1.00 0.00 C ATOM 44 OG SER A 5 -9.275 -5.970 -5.405 1.00 0.00 O ATOM 0 H SER A 5 -11.890 -6.830 -6.399 1.00 0.00 H new ATOM 0 HA SER A 5 -11.694 -7.413 -3.551 1.00 0.00 H new ATOM 0 HB2 SER A 5 -9.497 -6.258 -3.378 1.00 0.00 H new ATOM 0 HB3 SER A 5 -9.375 -7.724 -4.330 1.00 0.00 H new ATOM 0 HG SER A 5 -8.298 -5.931 -5.336 1.00 0.00 H new ATOM 50 N SER A 6 -12.034 -4.938 -2.967 1.00 0.00 N ATOM 51 CA SER A 6 -12.641 -3.653 -2.564 1.00 0.00 C ATOM 52 C SER A 6 -11.629 -2.607 -2.054 1.00 0.00 C ATOM 53 O SER A 6 -12.019 -1.541 -1.570 1.00 0.00 O ATOM 54 CB SER A 6 -13.747 -3.921 -1.537 1.00 0.00 C ATOM 55 OG SER A 6 -13.232 -4.616 -0.407 1.00 0.00 O ATOM 0 H SER A 6 -11.660 -5.457 -2.173 1.00 0.00 H new ATOM 0 HA SER A 6 -13.067 -3.202 -3.460 1.00 0.00 H new ATOM 0 HB2 SER A 6 -14.189 -2.977 -1.218 1.00 0.00 H new ATOM 0 HB3 SER A 6 -14.543 -4.506 -1.998 1.00 0.00 H new ATOM 0 HG SER A 6 -13.442 -4.115 0.409 1.00 0.00 H new ATOM 61 N GLY A 7 -10.328 -2.893 -2.163 1.00 0.00 N ATOM 62 CA GLY A 7 -9.226 -2.011 -1.760 1.00 0.00 C ATOM 63 C GLY A 7 -7.850 -2.571 -2.141 1.00 0.00 C ATOM 64 O GLY A 7 -7.746 -3.654 -2.724 1.00 0.00 O ATOM 0 H GLY A 7 -10.000 -3.778 -2.549 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -9.358 -1.035 -2.226 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -9.265 -1.857 -0.682 1.00 0.00 H new ATOM 68 N TYR A 8 -6.794 -1.832 -1.802 1.00 0.00 N ATOM 69 CA TYR A 8 -5.394 -2.187 -2.075 1.00 0.00 C ATOM 70 C TYR A 8 -4.755 -2.830 -0.841 1.00 0.00 C ATOM 71 O TYR A 8 -5.097 -2.468 0.283 1.00 0.00 O ATOM 72 CB TYR A 8 -4.624 -0.933 -2.520 1.00 0.00 C ATOM 73 CG TYR A 8 -5.145 -0.301 -3.800 1.00 0.00 C ATOM 74 CD1 TYR A 8 -6.239 0.588 -3.757 1.00 0.00 C ATOM 75 CD2 TYR A 8 -4.550 -0.620 -5.035 1.00 0.00 C ATOM 76 CE1 TYR A 8 -6.738 1.156 -4.946 1.00 0.00 C ATOM 77 CE2 TYR A 8 -5.046 -0.055 -6.226 1.00 0.00 C ATOM 78 CZ TYR A 8 -6.141 0.837 -6.185 1.00 0.00 C ATOM 79 OH TYR A 8 -6.613 1.379 -7.341 1.00 0.00 O ATOM 0 H TYR A 8 -6.888 -0.941 -1.314 1.00 0.00 H new ATOM 0 HA TYR A 8 -5.355 -2.919 -2.882 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -4.665 -0.193 -1.721 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -3.575 -1.195 -2.659 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -6.696 0.834 -2.810 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -3.711 -1.300 -5.069 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -7.577 1.835 -4.910 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -4.589 -0.304 -7.172 1.00 0.00 H new ATOM 0 HH TYR A 8 -6.083 1.050 -8.097 1.00 0.00 H new ATOM 89 N VAL A 9 -3.836 -3.783 -1.017 1.00 0.00 N ATOM 90 CA VAL A 9 -3.206 -4.517 0.093 1.00 0.00 C ATOM 91 C VAL A 9 -1.687 -4.610 -0.081 1.00 0.00 C ATOM 92 O VAL A 9 -1.192 -4.864 -1.182 1.00 0.00 O ATOM 93 CB VAL A 9 -3.826 -5.918 0.269 1.00 0.00 C ATOM 94 CG1 VAL A 9 -3.353 -6.554 1.579 1.00 0.00 C ATOM 95 CG2 VAL A 9 -5.359 -5.894 0.342 1.00 0.00 C ATOM 0 H VAL A 9 -3.504 -4.072 -1.937 1.00 0.00 H new ATOM 0 HA VAL A 9 -3.401 -3.949 1.002 1.00 0.00 H new ATOM 0 HB VAL A 9 -3.507 -6.483 -0.607 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -3.801 -7.542 1.686 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -2.267 -6.647 1.567 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.654 -5.926 2.418 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.733 -6.910 0.466 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -5.673 -5.286 1.190 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -5.760 -5.469 -0.578 1.00 0.00 H new ATOM 105 N CYS A 10 -0.959 -4.435 1.023 1.00 0.00 N ATOM 106 CA CYS A 10 0.490 -4.597 1.118 1.00 0.00 C ATOM 107 C CYS A 10 0.925 -6.017 0.727 1.00 0.00 C ATOM 108 O CYS A 10 0.336 -7.004 1.167 1.00 0.00 O ATOM 109 CB CYS A 10 0.888 -4.217 2.552 1.00 0.00 C ATOM 110 SG CYS A 10 2.692 -4.072 2.751 1.00 0.00 S ATOM 0 H CYS A 10 -1.382 -4.165 1.911 1.00 0.00 H new ATOM 0 HA CYS A 10 1.006 -3.946 0.412 1.00 0.00 H new ATOM 0 HB2 CYS A 10 0.418 -3.271 2.819 1.00 0.00 H new ATOM 0 HB3 CYS A 10 0.507 -4.968 3.244 1.00 0.00 H new ATOM 115 N ALA A 11 1.977 -6.126 -0.081 1.00 0.00 N ATOM 116 CA ALA A 11 2.586 -7.404 -0.458 1.00 0.00 C ATOM 117 C ALA A 11 3.577 -7.927 0.607 1.00 0.00 C ATOM 118 O ALA A 11 4.085 -9.044 0.480 1.00 0.00 O ATOM 119 CB ALA A 11 3.237 -7.237 -1.837 1.00 0.00 C ATOM 0 H ALA A 11 2.439 -5.319 -0.500 1.00 0.00 H new ATOM 0 HA ALA A 11 1.812 -8.170 -0.514 1.00 0.00 H new ATOM 0 HB1 ALA A 11 3.698 -8.178 -2.138 1.00 0.00 H new ATOM 0 HB2 ALA A 11 2.477 -6.955 -2.566 1.00 0.00 H new ATOM 0 HB3 ALA A 11 3.999 -6.459 -1.788 1.00 0.00 H new ATOM 125 N LEU A 12 3.865 -7.124 1.641 1.00 0.00 N ATOM 126 CA LEU A 12 4.907 -7.381 2.637 1.00 0.00 C ATOM 127 C LEU A 12 4.308 -7.759 4.004 1.00 0.00 C ATOM 128 O LEU A 12 4.643 -8.812 4.552 1.00 0.00 O ATOM 129 CB LEU A 12 5.837 -6.158 2.755 1.00 0.00 C ATOM 130 CG LEU A 12 6.534 -5.673 1.463 1.00 0.00 C ATOM 131 CD1 LEU A 12 5.683 -4.759 0.570 1.00 0.00 C ATOM 132 CD2 LEU A 12 7.736 -4.836 1.874 1.00 0.00 C ATOM 0 H LEU A 12 3.363 -6.253 1.810 1.00 0.00 H new ATOM 0 HA LEU A 12 5.494 -8.236 2.301 1.00 0.00 H new ATOM 0 HB2 LEU A 12 5.255 -5.329 3.157 1.00 0.00 H new ATOM 0 HB3 LEU A 12 6.609 -6.390 3.489 1.00 0.00 H new ATOM 0 HG LEU A 12 6.767 -6.574 0.895 1.00 0.00 H new ATOM 0 HD11 LEU A 12 6.258 -4.472 -0.310 1.00 0.00 H new ATOM 0 HD12 LEU A 12 4.783 -5.290 0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 12 5.402 -3.865 1.127 1.00 0.00 H new ATOM 0 HD21 LEU A 12 8.251 -4.477 0.983 1.00 0.00 H new ATOM 0 HD22 LEU A 12 7.401 -3.985 2.467 1.00 0.00 H new ATOM 0 HD23 LEU A 12 8.418 -5.445 2.467 1.00 0.00 H new ATOM 144 N CYS A 13 3.402 -6.918 4.523 1.00 0.00 N ATOM 145 CA CYS A 13 2.685 -7.119 5.802 1.00 0.00 C ATOM 146 C CYS A 13 1.177 -7.459 5.684 1.00 0.00 C ATOM 147 O CYS A 13 0.511 -7.693 6.697 1.00 0.00 O ATOM 148 CB CYS A 13 2.970 -5.962 6.773 1.00 0.00 C ATOM 149 SG CYS A 13 2.199 -4.403 6.257 1.00 0.00 S ATOM 0 H CYS A 13 3.136 -6.052 4.055 1.00 0.00 H new ATOM 0 HA CYS A 13 3.099 -8.035 6.224 1.00 0.00 H new ATOM 0 HB2 CYS A 13 2.608 -6.230 7.766 1.00 0.00 H new ATOM 0 HB3 CYS A 13 4.048 -5.819 6.854 1.00 0.00 H new ATOM 154 N LEU A 14 0.643 -7.539 4.456 1.00 0.00 N ATOM 155 CA LEU A 14 -0.746 -7.925 4.137 1.00 0.00 C ATOM 156 C LEU A 14 -1.846 -7.001 4.723 1.00 0.00 C ATOM 157 O LEU A 14 -3.005 -7.401 4.852 1.00 0.00 O ATOM 158 CB LEU A 14 -0.975 -9.432 4.390 1.00 0.00 C ATOM 159 CG LEU A 14 0.113 -10.385 3.851 1.00 0.00 C ATOM 160 CD1 LEU A 14 -0.327 -11.834 4.069 1.00 0.00 C ATOM 161 CD2 LEU A 14 0.409 -10.197 2.360 1.00 0.00 C ATOM 0 H LEU A 14 1.188 -7.328 3.620 1.00 0.00 H new ATOM 0 HA LEU A 14 -0.864 -7.758 3.066 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -1.067 -9.589 5.465 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.929 -9.713 3.944 1.00 0.00 H new ATOM 0 HG LEU A 14 1.024 -10.149 4.400 1.00 0.00 H new ATOM 0 HD11 LEU A 14 0.440 -12.508 3.689 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -0.473 -12.014 5.134 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -1.263 -12.014 3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 14 1.183 -10.900 2.051 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -0.498 -10.379 1.783 1.00 0.00 H new ATOM 0 HD23 LEU A 14 0.753 -9.178 2.183 1.00 0.00 H new ATOM 173 N LYS A 15 -1.493 -5.751 5.051 1.00 0.00 N ATOM 174 CA LYS A 15 -2.397 -4.682 5.515 1.00 0.00 C ATOM 175 C LYS A 15 -3.183 -4.034 4.366 1.00 0.00 C ATOM 176 O LYS A 15 -2.611 -3.779 3.307 1.00 0.00 O ATOM 177 CB LYS A 15 -1.540 -3.631 6.224 1.00 0.00 C ATOM 178 CG LYS A 15 -2.373 -2.513 6.872 1.00 0.00 C ATOM 179 CD LYS A 15 -1.521 -1.620 7.782 1.00 0.00 C ATOM 180 CE LYS A 15 -2.389 -0.483 8.339 1.00 0.00 C ATOM 181 NZ LYS A 15 -1.640 0.363 9.305 1.00 0.00 N ATOM 0 H LYS A 15 -0.523 -5.439 4.999 1.00 0.00 H new ATOM 0 HA LYS A 15 -3.139 -5.113 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -0.938 -4.118 6.991 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -0.847 -3.191 5.507 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -2.832 -1.904 6.093 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -3.184 -2.954 7.452 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -1.104 -2.208 8.600 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -0.680 -1.210 7.223 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -2.748 0.136 7.517 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -3.267 -0.903 8.829 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -2.261 1.119 9.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -1.319 -0.222 10.103 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -0.816 0.785 8.831 1.00 0.00 H new ATOM 195 N LYS A 16 -4.466 -3.721 4.588 1.00 0.00 N ATOM 196 CA LYS A 16 -5.385 -3.132 3.594 1.00 0.00 C ATOM 197 C LYS A 16 -5.477 -1.598 3.672 1.00 0.00 C ATOM 198 O LYS A 16 -5.356 -1.011 4.749 1.00 0.00 O ATOM 199 CB LYS A 16 -6.753 -3.823 3.722 1.00 0.00 C ATOM 200 CG LYS A 16 -7.717 -3.487 2.573 1.00 0.00 C ATOM 201 CD LYS A 16 -8.965 -4.369 2.653 1.00 0.00 C ATOM 202 CE LYS A 16 -9.851 -4.149 1.424 1.00 0.00 C ATOM 203 NZ LYS A 16 -11.108 -4.935 1.523 1.00 0.00 N ATOM 0 H LYS A 16 -4.912 -3.874 5.493 1.00 0.00 H new ATOM 0 HA LYS A 16 -4.982 -3.315 2.598 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -6.605 -4.902 3.758 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -7.211 -3.533 4.667 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -8.002 -2.436 2.624 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -7.218 -3.636 1.615 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -8.674 -5.418 2.717 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -9.525 -4.138 3.559 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -10.088 -3.089 1.328 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -9.308 -4.438 0.524 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -11.682 -4.781 0.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -10.879 -5.946 1.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -11.644 -4.629 2.360 1.00 0.00 H new ATOM 217 N PHE A 17 -5.723 -0.970 2.521 1.00 0.00 N ATOM 218 CA PHE A 17 -5.740 0.477 2.276 1.00 0.00 C ATOM 219 C PHE A 17 -6.855 0.895 1.301 1.00 0.00 C ATOM 220 O PHE A 17 -7.259 0.132 0.418 1.00 0.00 O ATOM 221 CB PHE A 17 -4.378 0.911 1.710 1.00 0.00 C ATOM 222 CG PHE A 17 -3.232 0.743 2.685 1.00 0.00 C ATOM 223 CD1 PHE A 17 -2.963 1.752 3.629 1.00 0.00 C ATOM 224 CD2 PHE A 17 -2.469 -0.441 2.685 1.00 0.00 C ATOM 225 CE1 PHE A 17 -1.946 1.572 4.582 1.00 0.00 C ATOM 226 CE2 PHE A 17 -1.455 -0.621 3.638 1.00 0.00 C ATOM 227 CZ PHE A 17 -1.203 0.379 4.592 1.00 0.00 C ATOM 0 H PHE A 17 -5.931 -1.496 1.672 1.00 0.00 H new ATOM 0 HA PHE A 17 -5.937 0.970 3.228 1.00 0.00 H new ATOM 0 HB2 PHE A 17 -4.167 0.331 0.811 1.00 0.00 H new ATOM 0 HB3 PHE A 17 -4.436 1.957 1.408 1.00 0.00 H new ATOM 0 HD1 PHE A 17 -3.539 2.666 3.621 1.00 0.00 H new ATOM 0 HD2 PHE A 17 -2.664 -1.210 1.952 1.00 0.00 H new ATOM 0 HE1 PHE A 17 -1.736 2.347 5.304 1.00 0.00 H new ATOM 0 HE2 PHE A 17 -0.869 -1.528 3.638 1.00 0.00 H new ATOM 0 HZ PHE A 17 -0.435 0.230 5.336 1.00 0.00 H new ATOM 237 N VAL A 18 -7.317 2.143 1.434 1.00 0.00 N ATOM 238 CA VAL A 18 -8.386 2.739 0.607 1.00 0.00 C ATOM 239 C VAL A 18 -7.950 3.033 -0.839 1.00 0.00 C ATOM 240 O VAL A 18 -8.751 2.876 -1.764 1.00 0.00 O ATOM 241 CB VAL A 18 -8.955 3.992 1.314 1.00 0.00 C ATOM 242 CG1 VAL A 18 -7.922 5.110 1.541 1.00 0.00 C ATOM 243 CG2 VAL A 18 -10.160 4.587 0.581 1.00 0.00 C ATOM 0 H VAL A 18 -6.952 2.787 2.136 1.00 0.00 H new ATOM 0 HA VAL A 18 -9.179 1.998 0.511 1.00 0.00 H new ATOM 0 HB VAL A 18 -9.266 3.615 2.288 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -8.401 5.952 2.041 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -7.109 4.734 2.162 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -7.523 5.438 0.581 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -10.518 5.463 1.121 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -9.865 4.878 -0.427 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -10.956 3.844 0.527 1.00 0.00 H new ATOM 253 N SER A 19 -6.679 3.400 -1.047 1.00 0.00 N ATOM 254 CA SER A 19 -6.124 3.841 -2.339 1.00 0.00 C ATOM 255 C SER A 19 -4.677 3.371 -2.531 1.00 0.00 C ATOM 256 O SER A 19 -3.954 3.138 -1.559 1.00 0.00 O ATOM 257 CB SER A 19 -6.167 5.374 -2.455 1.00 0.00 C ATOM 258 OG SER A 19 -7.495 5.866 -2.359 1.00 0.00 O ATOM 0 H SER A 19 -5.985 3.399 -0.300 1.00 0.00 H new ATOM 0 HA SER A 19 -6.743 3.392 -3.116 1.00 0.00 H new ATOM 0 HB2 SER A 19 -5.556 5.817 -1.668 1.00 0.00 H new ATOM 0 HB3 SER A 19 -5.732 5.680 -3.406 1.00 0.00 H new ATOM 0 HG SER A 19 -7.488 6.843 -2.435 1.00 0.00 H new ATOM 264 N SER A 20 -4.222 3.296 -3.785 1.00 0.00 N ATOM 265 CA SER A 20 -2.853 2.895 -4.145 1.00 0.00 C ATOM 266 C SER A 20 -1.786 3.811 -3.539 1.00 0.00 C ATOM 267 O SER A 20 -0.780 3.326 -3.029 1.00 0.00 O ATOM 268 CB SER A 20 -2.705 2.866 -5.671 1.00 0.00 C ATOM 269 OG SER A 20 -3.061 4.122 -6.233 1.00 0.00 O ATOM 0 H SER A 20 -4.802 3.515 -4.595 1.00 0.00 H new ATOM 0 HA SER A 20 -2.693 1.900 -3.731 1.00 0.00 H new ATOM 0 HB2 SER A 20 -1.677 2.621 -5.937 1.00 0.00 H new ATOM 0 HB3 SER A 20 -3.338 2.083 -6.088 1.00 0.00 H new ATOM 0 HG SER A 20 -2.959 4.085 -7.207 1.00 0.00 H new ATOM 275 N ILE A 21 -2.021 5.128 -3.508 1.00 0.00 N ATOM 276 CA ILE A 21 -1.101 6.124 -2.929 1.00 0.00 C ATOM 277 C ILE A 21 -0.874 5.885 -1.426 1.00 0.00 C ATOM 278 O ILE A 21 0.264 5.935 -0.953 1.00 0.00 O ATOM 279 CB ILE A 21 -1.638 7.552 -3.191 1.00 0.00 C ATOM 280 CG1 ILE A 21 -1.879 7.854 -4.691 1.00 0.00 C ATOM 281 CG2 ILE A 21 -0.703 8.609 -2.579 1.00 0.00 C ATOM 282 CD1 ILE A 21 -0.664 7.673 -5.611 1.00 0.00 C ATOM 0 H ILE A 21 -2.871 5.543 -3.891 1.00 0.00 H new ATOM 0 HA ILE A 21 -0.132 6.016 -3.417 1.00 0.00 H new ATOM 0 HB ILE A 21 -2.611 7.601 -2.702 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -2.681 7.208 -5.048 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -2.232 8.881 -4.784 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -1.101 9.604 -2.776 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -0.632 8.453 -1.503 1.00 0.00 H new ATOM 0 HG23 ILE A 21 0.288 8.520 -3.024 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -0.946 7.911 -6.637 1.00 0.00 H new ATOM 0 HD12 ILE A 21 0.137 8.339 -5.291 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -0.319 6.640 -5.560 1.00 0.00 H new ATOM 294 N ARG A 22 -1.943 5.562 -0.686 1.00 0.00 N ATOM 295 CA ARG A 22 -1.903 5.277 0.761 1.00 0.00 C ATOM 296 C ARG A 22 -1.021 4.058 1.053 1.00 0.00 C ATOM 297 O ARG A 22 -0.201 4.095 1.972 1.00 0.00 O ATOM 298 CB ARG A 22 -3.331 5.048 1.293 1.00 0.00 C ATOM 299 CG ARG A 22 -4.296 6.233 1.088 1.00 0.00 C ATOM 300 CD ARG A 22 -4.073 7.412 2.038 1.00 0.00 C ATOM 301 NE ARG A 22 -4.357 7.070 3.447 1.00 0.00 N ATOM 302 CZ ARG A 22 -4.147 7.840 4.501 1.00 0.00 C ATOM 303 NH1 ARG A 22 -3.643 9.037 4.396 1.00 0.00 N ATOM 304 NH2 ARG A 22 -4.446 7.418 5.696 1.00 0.00 N ATOM 0 H ARG A 22 -2.880 5.489 -1.081 1.00 0.00 H new ATOM 0 HA ARG A 22 -1.469 6.137 1.271 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -3.749 4.168 0.803 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -3.275 4.824 2.358 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -4.201 6.588 0.062 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -5.319 5.876 1.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -3.041 7.753 1.952 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -4.709 8.243 1.735 1.00 0.00 H new ATOM 0 HE ARG A 22 -4.755 6.148 3.624 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -3.397 9.408 3.478 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -3.495 9.603 5.231 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -4.845 6.488 5.823 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -4.281 8.017 6.505 1.00 0.00 H new ATOM 318 N LEU A 23 -1.131 3.021 0.219 1.00 0.00 N ATOM 319 CA LEU A 23 -0.293 1.829 0.276 1.00 0.00 C ATOM 320 C LEU A 23 1.162 2.125 -0.126 1.00 0.00 C ATOM 321 O LEU A 23 2.084 1.747 0.596 1.00 0.00 O ATOM 322 CB LEU A 23 -0.944 0.741 -0.600 1.00 0.00 C ATOM 323 CG LEU A 23 -0.036 -0.470 -0.856 1.00 0.00 C ATOM 324 CD1 LEU A 23 0.405 -1.160 0.434 1.00 0.00 C ATOM 325 CD2 LEU A 23 -0.756 -1.490 -1.732 1.00 0.00 C ATOM 0 H LEU A 23 -1.822 2.990 -0.530 1.00 0.00 H new ATOM 0 HA LEU A 23 -0.232 1.470 1.303 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -1.861 0.401 -0.120 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -1.229 1.179 -1.557 1.00 0.00 H new ATOM 0 HG LEU A 23 0.854 -0.089 -1.357 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.045 -2.009 0.192 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.958 -0.454 1.054 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.472 -1.510 0.978 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -0.103 -2.345 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -1.664 -1.824 -1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -1.017 -1.031 -2.686 1.00 0.00 H new ATOM 337 N ARG A 24 1.395 2.820 -1.247 1.00 0.00 N ATOM 338 CA ARG A 24 2.746 3.137 -1.752 1.00 0.00 C ATOM 339 C ARG A 24 3.582 3.845 -0.692 1.00 0.00 C ATOM 340 O ARG A 24 4.681 3.400 -0.373 1.00 0.00 O ATOM 341 CB ARG A 24 2.636 4.014 -3.008 1.00 0.00 C ATOM 342 CG ARG A 24 2.240 3.189 -4.245 1.00 0.00 C ATOM 343 CD ARG A 24 1.842 4.098 -5.412 1.00 0.00 C ATOM 344 NE ARG A 24 1.402 3.309 -6.579 1.00 0.00 N ATOM 345 CZ ARG A 24 0.974 3.783 -7.737 1.00 0.00 C ATOM 346 NH1 ARG A 24 0.917 5.061 -7.987 1.00 0.00 N ATOM 347 NH2 ARG A 24 0.588 2.970 -8.679 1.00 0.00 N ATOM 0 H ARG A 24 0.647 3.183 -1.838 1.00 0.00 H new ATOM 0 HA ARG A 24 3.246 2.201 -2.002 1.00 0.00 H new ATOM 0 HB2 ARG A 24 1.897 4.798 -2.841 1.00 0.00 H new ATOM 0 HB3 ARG A 24 3.590 4.509 -3.191 1.00 0.00 H new ATOM 0 HG2 ARG A 24 3.073 2.553 -4.544 1.00 0.00 H new ATOM 0 HG3 ARG A 24 1.409 2.529 -3.995 1.00 0.00 H new ATOM 0 HD2 ARG A 24 1.040 4.766 -5.098 1.00 0.00 H new ATOM 0 HD3 ARG A 24 2.688 4.725 -5.692 1.00 0.00 H new ATOM 0 HE ARG A 24 1.431 2.294 -6.482 1.00 0.00 H new ATOM 0 HH11 ARG A 24 1.208 5.733 -7.277 1.00 0.00 H new ATOM 0 HH12 ARG A 24 0.581 5.389 -8.893 1.00 0.00 H new ATOM 0 HH21 ARG A 24 0.615 1.962 -8.525 1.00 0.00 H new ATOM 0 HH22 ARG A 24 0.259 3.342 -9.570 1.00 0.00 H new ATOM 361 N SER A 25 3.021 4.894 -0.096 1.00 0.00 N ATOM 362 CA SER A 25 3.666 5.668 0.964 1.00 0.00 C ATOM 363 C SER A 25 3.847 4.869 2.262 1.00 0.00 C ATOM 364 O SER A 25 4.911 4.974 2.871 1.00 0.00 O ATOM 365 CB SER A 25 2.854 6.940 1.209 1.00 0.00 C ATOM 366 OG SER A 25 3.041 7.842 0.128 1.00 0.00 O ATOM 0 H SER A 25 2.091 5.236 -0.339 1.00 0.00 H new ATOM 0 HA SER A 25 4.672 5.925 0.633 1.00 0.00 H new ATOM 0 HB2 SER A 25 1.797 6.694 1.312 1.00 0.00 H new ATOM 0 HB3 SER A 25 3.165 7.407 2.143 1.00 0.00 H new ATOM 0 HG SER A 25 2.518 8.656 0.287 1.00 0.00 H new ATOM 372 N HIS A 26 2.904 3.992 2.639 1.00 0.00 N ATOM 373 CA HIS A 26 3.087 3.050 3.758 1.00 0.00 C ATOM 374 C HIS A 26 4.358 2.208 3.588 1.00 0.00 C ATOM 375 O HIS A 26 5.150 2.097 4.525 1.00 0.00 O ATOM 376 CB HIS A 26 1.851 2.143 3.913 1.00 0.00 C ATOM 377 CG HIS A 26 2.124 0.808 4.574 1.00 0.00 C ATOM 378 ND1 HIS A 26 2.112 0.557 5.923 1.00 0.00 N ATOM 379 CD2 HIS A 26 2.440 -0.374 3.950 1.00 0.00 C ATOM 380 CE1 HIS A 26 2.382 -0.743 6.117 1.00 0.00 C ATOM 381 NE2 HIS A 26 2.603 -1.371 4.936 1.00 0.00 N ATOM 0 H HIS A 26 1.996 3.914 2.180 1.00 0.00 H new ATOM 0 HA HIS A 26 3.203 3.639 4.668 1.00 0.00 H new ATOM 0 HB2 HIS A 26 1.098 2.674 4.496 1.00 0.00 H new ATOM 0 HB3 HIS A 26 1.423 1.964 2.927 1.00 0.00 H new ATOM 0 HD1 HIS A 26 1.929 1.243 6.655 1.00 0.00 H new ATOM 0 HD2 HIS A 26 2.546 -0.517 2.885 1.00 0.00 H new ATOM 0 HE1 HIS A 26 2.418 -1.224 7.083 1.00 0.00 H new ATOM 389 N ILE A 27 4.590 1.651 2.392 1.00 0.00 N ATOM 390 CA ILE A 27 5.765 0.808 2.136 1.00 0.00 C ATOM 391 C ILE A 27 7.052 1.611 2.355 1.00 0.00 C ATOM 392 O ILE A 27 7.987 1.106 2.978 1.00 0.00 O ATOM 393 CB ILE A 27 5.713 0.157 0.731 1.00 0.00 C ATOM 394 CG1 ILE A 27 4.458 -0.725 0.531 1.00 0.00 C ATOM 395 CG2 ILE A 27 6.966 -0.708 0.507 1.00 0.00 C ATOM 396 CD1 ILE A 27 4.236 -1.141 -0.929 1.00 0.00 C ATOM 0 H ILE A 27 3.978 1.770 1.585 1.00 0.00 H new ATOM 0 HA ILE A 27 5.758 -0.014 2.851 1.00 0.00 H new ATOM 0 HB ILE A 27 5.671 0.972 0.008 1.00 0.00 H new ATOM 0 HG12 ILE A 27 4.549 -1.620 1.147 1.00 0.00 H new ATOM 0 HG13 ILE A 27 3.581 -0.183 0.885 1.00 0.00 H new ATOM 0 HG21 ILE A 27 6.922 -1.162 -0.483 1.00 0.00 H new ATOM 0 HG22 ILE A 27 7.857 -0.084 0.581 1.00 0.00 H new ATOM 0 HG23 ILE A 27 7.008 -1.491 1.264 1.00 0.00 H new ATOM 0 HD11 ILE A 27 3.340 -1.758 -0.999 1.00 0.00 H new ATOM 0 HD12 ILE A 27 4.114 -0.251 -1.546 1.00 0.00 H new ATOM 0 HD13 ILE A 27 5.097 -1.710 -1.280 1.00 0.00 H new ATOM 408 N ARG A 28 7.104 2.876 1.924 1.00 0.00 N ATOM 409 CA ARG A 28 8.291 3.719 2.141 1.00 0.00 C ATOM 410 C ARG A 28 8.473 4.104 3.613 1.00 0.00 C ATOM 411 O ARG A 28 9.597 4.126 4.109 1.00 0.00 O ATOM 412 CB ARG A 28 8.239 4.999 1.299 1.00 0.00 C ATOM 413 CG ARG A 28 7.803 4.870 -0.168 1.00 0.00 C ATOM 414 CD ARG A 28 8.450 3.720 -0.950 1.00 0.00 C ATOM 415 NE ARG A 28 8.263 3.892 -2.406 1.00 0.00 N ATOM 416 CZ ARG A 28 8.928 4.711 -3.205 1.00 0.00 C ATOM 417 NH1 ARG A 28 9.936 5.428 -2.794 1.00 0.00 N ATOM 418 NH2 ARG A 28 8.587 4.827 -4.455 1.00 0.00 N ATOM 0 H ARG A 28 6.344 3.339 1.425 1.00 0.00 H new ATOM 0 HA ARG A 28 9.142 3.113 1.830 1.00 0.00 H new ATOM 0 HB2 ARG A 28 7.561 5.697 1.791 1.00 0.00 H new ATOM 0 HB3 ARG A 28 9.230 5.452 1.316 1.00 0.00 H new ATOM 0 HG2 ARG A 28 6.721 4.743 -0.197 1.00 0.00 H new ATOM 0 HG3 ARG A 28 8.028 5.806 -0.679 1.00 0.00 H new ATOM 0 HD2 ARG A 28 9.515 3.674 -0.720 1.00 0.00 H new ATOM 0 HD3 ARG A 28 8.015 2.772 -0.634 1.00 0.00 H new ATOM 0 HE ARG A 28 7.543 3.317 -2.843 1.00 0.00 H new ATOM 0 HH11 ARG A 28 10.240 5.370 -1.822 1.00 0.00 H new ATOM 0 HH12 ARG A 28 10.421 6.047 -3.444 1.00 0.00 H new ATOM 0 HH21 ARG A 28 7.805 4.286 -4.823 1.00 0.00 H new ATOM 0 HH22 ARG A 28 9.102 5.459 -5.068 1.00 0.00 H new ATOM 432 N GLU A 29 7.375 4.390 4.316 1.00 0.00 N ATOM 433 CA GLU A 29 7.381 4.815 5.720 1.00 0.00 C ATOM 434 C GLU A 29 7.842 3.712 6.682 1.00 0.00 C ATOM 435 O GLU A 29 8.601 4.005 7.609 1.00 0.00 O ATOM 436 CB GLU A 29 5.980 5.301 6.136 1.00 0.00 C ATOM 437 CG GLU A 29 5.687 6.718 5.634 1.00 0.00 C ATOM 438 CD GLU A 29 4.269 7.169 6.035 1.00 0.00 C ATOM 439 OE1 GLU A 29 4.081 7.633 7.188 1.00 0.00 O ATOM 440 OE2 GLU A 29 3.333 7.081 5.203 1.00 0.00 O ATOM 0 H GLU A 29 6.437 4.332 3.918 1.00 0.00 H new ATOM 0 HA GLU A 29 8.102 5.630 5.791 1.00 0.00 H new ATOM 0 HB2 GLU A 29 5.228 4.616 5.744 1.00 0.00 H new ATOM 0 HB3 GLU A 29 5.897 5.278 7.223 1.00 0.00 H new ATOM 0 HG2 GLU A 29 6.422 7.411 6.044 1.00 0.00 H new ATOM 0 HG3 GLU A 29 5.789 6.751 4.549 1.00 0.00 H new ATOM 447 N VAL A 30 7.399 2.461 6.478 1.00 0.00 N ATOM 448 CA VAL A 30 7.605 1.380 7.465 1.00 0.00 C ATOM 449 C VAL A 30 8.439 0.197 6.980 1.00 0.00 C ATOM 450 O VAL A 30 9.096 -0.450 7.797 1.00 0.00 O ATOM 451 CB VAL A 30 6.282 0.886 8.070 1.00 0.00 C ATOM 452 CG1 VAL A 30 5.340 2.037 8.454 1.00 0.00 C ATOM 453 CG2 VAL A 30 5.492 -0.108 7.214 1.00 0.00 C ATOM 0 H VAL A 30 6.896 2.170 5.640 1.00 0.00 H new ATOM 0 HA VAL A 30 8.201 1.859 8.242 1.00 0.00 H new ATOM 0 HB VAL A 30 6.621 0.353 8.958 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.421 1.630 8.876 1.00 0.00 H new ATOM 0 HG12 VAL A 30 5.827 2.675 9.192 1.00 0.00 H new ATOM 0 HG13 VAL A 30 5.103 2.624 7.567 1.00 0.00 H new ATOM 0 HG21 VAL A 30 4.577 -0.390 7.735 1.00 0.00 H new ATOM 0 HG22 VAL A 30 5.238 0.355 6.260 1.00 0.00 H new ATOM 0 HG23 VAL A 30 6.098 -0.997 7.036 1.00 0.00 H new ATOM 463 N HIS A 31 8.444 -0.083 5.674 1.00 0.00 N ATOM 464 CA HIS A 31 9.270 -1.151 5.086 1.00 0.00 C ATOM 465 C HIS A 31 10.549 -0.597 4.431 1.00 0.00 C ATOM 466 O HIS A 31 11.481 -1.355 4.148 1.00 0.00 O ATOM 467 CB HIS A 31 8.434 -1.994 4.111 1.00 0.00 C ATOM 468 CG HIS A 31 7.160 -2.563 4.697 1.00 0.00 C ATOM 469 ND1 HIS A 31 7.048 -3.323 5.838 1.00 0.00 N ATOM 470 CD2 HIS A 31 5.911 -2.497 4.142 1.00 0.00 C ATOM 471 CE1 HIS A 31 5.765 -3.691 5.978 1.00 0.00 C ATOM 472 NE2 HIS A 31 5.010 -3.201 4.965 1.00 0.00 N ATOM 0 H HIS A 31 7.878 0.421 4.992 1.00 0.00 H new ATOM 0 HA HIS A 31 9.605 -1.805 5.891 1.00 0.00 H new ATOM 0 HB2 HIS A 31 8.178 -1.379 3.248 1.00 0.00 H new ATOM 0 HB3 HIS A 31 9.048 -2.817 3.745 1.00 0.00 H new ATOM 0 HD1 HIS A 31 7.811 -3.566 6.470 1.00 0.00 H new ATOM 0 HD2 HIS A 31 5.657 -1.989 3.224 1.00 0.00 H new ATOM 0 HE1 HIS A 31 5.386 -4.296 6.788 1.00 0.00 H new ATOM 480 N GLY A 32 10.609 0.723 4.212 1.00 0.00 N ATOM 481 CA GLY A 32 11.774 1.443 3.681 1.00 0.00 C ATOM 482 C GLY A 32 12.287 0.957 2.319 1.00 0.00 C ATOM 483 O GLY A 32 13.490 1.011 2.061 1.00 0.00 O ATOM 0 H GLY A 32 9.821 1.340 4.406 1.00 0.00 H new ATOM 0 HA2 GLY A 32 11.519 2.500 3.598 1.00 0.00 H new ATOM 0 HA3 GLY A 32 12.586 1.367 4.404 1.00 0.00 H new ATOM 487 N ALA A 33 11.394 0.453 1.456 1.00 0.00 N ATOM 488 CA ALA A 33 11.759 -0.245 0.216 1.00 0.00 C ATOM 489 C ALA A 33 12.531 0.618 -0.808 1.00 0.00 C ATOM 490 O ALA A 33 13.357 0.093 -1.559 1.00 0.00 O ATOM 491 CB ALA A 33 10.467 -0.789 -0.403 1.00 0.00 C ATOM 0 H ALA A 33 10.387 0.519 1.601 1.00 0.00 H new ATOM 0 HA ALA A 33 12.455 -1.042 0.477 1.00 0.00 H new ATOM 0 HB1 ALA A 33 10.700 -1.315 -1.329 1.00 0.00 H new ATOM 0 HB2 ALA A 33 9.991 -1.477 0.295 1.00 0.00 H new ATOM 0 HB3 ALA A 33 9.790 0.038 -0.617 1.00 0.00 H new ATOM 497 N ALA A 34 12.275 1.932 -0.835 1.00 0.00 N ATOM 498 CA ALA A 34 12.963 2.917 -1.663 1.00 0.00 C ATOM 499 C ALA A 34 12.792 4.324 -1.058 1.00 0.00 C ATOM 500 O ALA A 34 11.691 4.713 -0.652 1.00 0.00 O ATOM 501 CB ALA A 34 12.407 2.859 -3.093 1.00 0.00 C ATOM 0 H ALA A 34 11.550 2.351 -0.253 1.00 0.00 H new ATOM 0 HA ALA A 34 14.029 2.691 -1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 34 12.920 3.594 -3.713 1.00 0.00 H new ATOM 0 HB2 ALA A 34 12.566 1.863 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 34 11.340 3.079 -3.078 1.00 0.00 H new ATOM 507 N GLN A 35 13.885 5.083 -1.012 1.00 0.00 N ATOM 508 CA GLN A 35 13.949 6.476 -0.540 1.00 0.00 C ATOM 509 C GLN A 35 13.200 7.453 -1.472 1.00 0.00 C ATOM 510 O GLN A 35 13.245 7.278 -2.713 1.00 0.00 O ATOM 511 CB GLN A 35 15.419 6.901 -0.353 1.00 0.00 C ATOM 512 CG GLN A 35 16.167 6.147 0.769 1.00 0.00 C ATOM 513 CD GLN A 35 16.632 4.722 0.431 1.00 0.00 C ATOM 514 OE1 GLN A 35 16.622 4.257 -0.704 1.00 0.00 O ATOM 515 NE2 GLN A 35 17.073 3.960 1.411 1.00 0.00 N ATOM 516 OXT GLN A 35 12.571 8.401 -0.949 1.00 0.00 O ATOM 0 H GLN A 35 14.794 4.734 -1.315 1.00 0.00 H new ATOM 0 HA GLN A 35 13.439 6.521 0.423 1.00 0.00 H new ATOM 0 HB2 GLN A 35 15.950 6.748 -1.292 1.00 0.00 H new ATOM 0 HB3 GLN A 35 15.451 7.969 -0.139 1.00 0.00 H new ATOM 0 HG2 GLN A 35 17.040 6.734 1.054 1.00 0.00 H new ATOM 0 HG3 GLN A 35 15.517 6.098 1.642 1.00 0.00 H new ATOM 0 HE21 GLN A 35 17.094 4.318 2.366 1.00 0.00 H new ATOM 0 HE22 GLN A 35 17.394 3.012 1.215 1.00 0.00 H new TER 525 GLN A 35 HETATM 526 ZN ZN A 101 3.108 -3.202 4.695 1.00 0.00 ZN