USER MOD reduce.3.24.130724 H: found=0, std=0, add=329, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 329 hydrogens (3 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 3 TYR OH : rot 180:sc= 0 USER MOD Single : A 5 TYR OH : rot 180:sc= 0 USER MOD Single : A 6 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 11 THR OG1 : rot 170:sc= -1.47! USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -0.0437 X(o=-0.044,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.0702 USER MOD Single : A 31 SER OG : rot 170:sc= -1.14 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0.0203 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 14.911 11.946 16.370 1.00 0.00 C HETATM 2 O ACE A 1 16.026 11.497 16.549 1.00 0.00 O HETATM 3 CH3 ACE A 1 14.683 13.173 15.486 1.00 0.00 C HETATM 0 H1 ACE A 1 14.025 12.908 14.659 1.00 0.00 H new HETATM 0 H2 ACE A 1 14.223 13.966 16.076 1.00 0.00 H new HETATM 0 H3 ACE A 1 15.638 13.521 15.093 1.00 0.00 H new ATOM 7 N ARG A 2 13.864 11.400 16.926 1.00 0.00 N ATOM 8 CA ARG A 2 14.025 10.204 17.799 1.00 0.00 C ATOM 9 C ARG A 2 13.797 8.935 16.975 1.00 0.00 C ATOM 10 O ARG A 2 12.727 8.360 16.984 1.00 0.00 O ATOM 11 CB ARG A 2 13.008 10.264 18.940 1.00 0.00 C ATOM 12 CG ARG A 2 13.391 11.388 19.905 1.00 0.00 C ATOM 13 CD ARG A 2 13.062 10.965 21.338 1.00 0.00 C ATOM 14 NE ARG A 2 14.218 11.273 22.226 1.00 0.00 N ATOM 15 CZ ARG A 2 14.211 12.353 22.957 1.00 0.00 C ATOM 16 NH1 ARG A 2 14.071 13.523 22.394 1.00 0.00 N ATOM 17 NH2 ARG A 2 14.341 12.265 24.253 1.00 0.00 N ATOM 0 H ARG A 2 12.906 11.730 16.813 1.00 0.00 H new ATOM 0 HA ARG A 2 15.033 10.190 18.213 1.00 0.00 H new ATOM 0 HB2 ARG A 2 12.008 10.437 18.542 1.00 0.00 H new ATOM 0 HB3 ARG A 2 12.980 9.311 19.468 1.00 0.00 H new ATOM 0 HG2 ARG A 2 14.454 11.612 19.816 1.00 0.00 H new ATOM 0 HG3 ARG A 2 12.851 12.300 19.651 1.00 0.00 H new ATOM 0 HD2 ARG A 2 12.172 11.488 21.687 1.00 0.00 H new ATOM 0 HD3 ARG A 2 12.838 9.899 21.371 1.00 0.00 H new ATOM 0 HE ARG A 2 15.016 10.638 22.262 1.00 0.00 H new ATOM 0 HH11 ARG A 2 13.967 13.593 21.382 1.00 0.00 H new ATOM 0 HH12 ARG A 2 14.066 14.367 22.967 1.00 0.00 H new ATOM 0 HH21 ARG A 2 14.448 11.351 24.694 1.00 0.00 H new ATOM 0 HH22 ARG A 2 14.336 13.110 24.825 1.00 0.00 H new ATOM 31 N TYR A 3 14.799 8.494 16.265 1.00 0.00 N ATOM 32 CA TYR A 3 14.648 7.262 15.443 1.00 0.00 C ATOM 33 C TYR A 3 16.021 6.615 15.247 1.00 0.00 C ATOM 34 O TYR A 3 16.639 6.769 14.213 1.00 0.00 O ATOM 35 CB TYR A 3 14.054 7.623 14.079 1.00 0.00 C ATOM 36 CG TYR A 3 12.555 7.739 14.200 1.00 0.00 C ATOM 37 CD1 TYR A 3 11.750 6.603 14.055 1.00 0.00 C ATOM 38 CD2 TYR A 3 11.969 8.984 14.456 1.00 0.00 C ATOM 39 CE1 TYR A 3 10.359 6.711 14.167 1.00 0.00 C ATOM 40 CE2 TYR A 3 10.578 9.092 14.569 1.00 0.00 C ATOM 41 CZ TYR A 3 9.773 7.956 14.424 1.00 0.00 C ATOM 42 OH TYR A 3 8.403 8.064 14.536 1.00 0.00 O ATOM 0 H TYR A 3 15.717 8.935 16.219 1.00 0.00 H new ATOM 0 HA TYR A 3 13.983 6.564 15.952 1.00 0.00 H new ATOM 0 HB2 TYR A 3 14.475 8.564 13.724 1.00 0.00 H new ATOM 0 HB3 TYR A 3 14.313 6.861 13.344 1.00 0.00 H new ATOM 0 HD1 TYR A 3 12.203 5.643 13.857 1.00 0.00 H new ATOM 0 HD2 TYR A 3 12.590 9.861 14.566 1.00 0.00 H new ATOM 0 HE1 TYR A 3 9.738 5.834 14.055 1.00 0.00 H new ATOM 0 HE2 TYR A 3 10.126 10.052 14.768 1.00 0.00 H new ATOM 0 HH TYR A 3 8.162 8.997 14.716 1.00 0.00 H new ATOM 52 N PRO A 4 16.451 5.912 16.258 1.00 0.00 N ATOM 53 CA PRO A 4 17.757 5.180 16.331 1.00 0.00 C ATOM 54 C PRO A 4 17.626 3.786 15.712 1.00 0.00 C ATOM 55 O PRO A 4 17.905 3.587 14.546 1.00 0.00 O ATOM 56 CB PRO A 4 18.080 5.075 17.815 1.00 0.00 C ATOM 57 CG PRO A 4 16.761 5.176 18.553 1.00 0.00 C ATOM 58 CD PRO A 4 15.723 5.692 17.555 1.00 0.00 C ATOM 0 HA PRO A 4 18.542 5.698 15.781 1.00 0.00 H new ATOM 0 HB2 PRO A 4 18.577 4.131 18.037 1.00 0.00 H new ATOM 0 HB3 PRO A 4 18.758 5.872 18.121 1.00 0.00 H new ATOM 0 HG2 PRO A 4 16.465 4.204 18.948 1.00 0.00 H new ATOM 0 HG3 PRO A 4 16.847 5.852 19.403 1.00 0.00 H new ATOM 0 HD2 PRO A 4 14.915 4.972 17.429 1.00 0.00 H new ATOM 0 HD3 PRO A 4 15.272 6.619 17.909 1.00 0.00 H new ATOM 66 N TYR A 5 17.211 2.818 16.482 1.00 0.00 N ATOM 67 CA TYR A 5 17.072 1.437 15.934 1.00 0.00 C ATOM 68 C TYR A 5 15.866 1.368 14.994 1.00 0.00 C ATOM 69 O TYR A 5 15.811 0.544 14.104 1.00 0.00 O ATOM 70 CB TYR A 5 16.878 0.446 17.085 1.00 0.00 C ATOM 71 CG TYR A 5 17.654 -0.817 16.796 1.00 0.00 C ATOM 72 CD1 TYR A 5 19.037 -0.853 17.015 1.00 0.00 C ATOM 73 CD2 TYR A 5 16.993 -1.951 16.308 1.00 0.00 C ATOM 74 CE1 TYR A 5 19.758 -2.023 16.746 1.00 0.00 C ATOM 75 CE2 TYR A 5 17.714 -3.120 16.038 1.00 0.00 C ATOM 76 CZ TYR A 5 19.096 -3.156 16.257 1.00 0.00 C ATOM 77 OH TYR A 5 19.807 -4.309 15.989 1.00 0.00 O ATOM 0 H TYR A 5 16.962 2.922 17.466 1.00 0.00 H new ATOM 0 HA TYR A 5 17.975 1.181 15.379 1.00 0.00 H new ATOM 0 HB2 TYR A 5 17.218 0.888 18.021 1.00 0.00 H new ATOM 0 HB3 TYR A 5 15.820 0.216 17.207 1.00 0.00 H new ATOM 0 HD1 TYR A 5 19.547 0.021 17.391 1.00 0.00 H new ATOM 0 HD2 TYR A 5 15.927 -1.924 16.140 1.00 0.00 H new ATOM 0 HE1 TYR A 5 20.824 -2.052 16.916 1.00 0.00 H new ATOM 0 HE2 TYR A 5 17.204 -3.994 15.661 1.00 0.00 H new ATOM 0 HH TYR A 5 19.196 -5.000 15.658 1.00 0.00 H new ATOM 87 N TYR A 6 14.899 2.223 15.184 1.00 0.00 N ATOM 88 CA TYR A 6 13.700 2.195 14.300 1.00 0.00 C ATOM 89 C TYR A 6 14.124 2.413 12.845 1.00 0.00 C ATOM 90 O TYR A 6 13.807 1.630 11.972 1.00 0.00 O ATOM 91 CB TYR A 6 12.731 3.302 14.718 1.00 0.00 C ATOM 92 CG TYR A 6 11.978 2.873 15.955 1.00 0.00 C ATOM 93 CD1 TYR A 6 11.450 1.579 16.040 1.00 0.00 C ATOM 94 CD2 TYR A 6 11.810 3.769 17.017 1.00 0.00 C ATOM 95 CE1 TYR A 6 10.753 1.181 17.187 1.00 0.00 C ATOM 96 CE2 TYR A 6 11.112 3.372 18.164 1.00 0.00 C ATOM 97 CZ TYR A 6 10.584 2.078 18.249 1.00 0.00 C ATOM 98 OH TYR A 6 9.897 1.686 19.380 1.00 0.00 O ATOM 0 H TYR A 6 14.887 2.938 15.911 1.00 0.00 H new ATOM 0 HA TYR A 6 13.209 1.226 14.392 1.00 0.00 H new ATOM 0 HB2 TYR A 6 13.278 4.224 14.914 1.00 0.00 H new ATOM 0 HB3 TYR A 6 12.032 3.513 13.909 1.00 0.00 H new ATOM 0 HD1 TYR A 6 11.580 0.888 15.221 1.00 0.00 H new ATOM 0 HD2 TYR A 6 12.219 4.767 16.952 1.00 0.00 H new ATOM 0 HE1 TYR A 6 10.346 0.183 17.253 1.00 0.00 H new ATOM 0 HE2 TYR A 6 10.981 4.064 18.983 1.00 0.00 H new ATOM 0 HH TYR A 6 9.872 2.427 20.021 1.00 0.00 H new ATOM 108 N LEU A 7 14.835 3.474 12.577 1.00 0.00 N ATOM 109 CA LEU A 7 15.275 3.746 11.179 1.00 0.00 C ATOM 110 C LEU A 7 16.434 2.816 10.811 1.00 0.00 C ATOM 111 O LEU A 7 16.443 2.204 9.762 1.00 0.00 O ATOM 112 CB LEU A 7 15.739 5.201 11.071 1.00 0.00 C ATOM 113 CG LEU A 7 14.870 5.941 10.054 1.00 0.00 C ATOM 114 CD1 LEU A 7 14.343 7.234 10.679 1.00 0.00 C ATOM 115 CD2 LEU A 7 15.708 6.277 8.818 1.00 0.00 C ATOM 0 H LEU A 7 15.131 4.165 13.267 1.00 0.00 H new ATOM 0 HA LEU A 7 14.443 3.572 10.497 1.00 0.00 H new ATOM 0 HB2 LEU A 7 15.673 5.688 12.044 1.00 0.00 H new ATOM 0 HB3 LEU A 7 16.785 5.238 10.767 1.00 0.00 H new ATOM 0 HG LEU A 7 14.030 5.309 9.764 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.723 7.762 9.954 1.00 0.00 H new ATOM 0 HD12 LEU A 7 13.748 6.996 11.560 1.00 0.00 H new ATOM 0 HD13 LEU A 7 15.182 7.867 10.968 1.00 0.00 H new ATOM 0 HD21 LEU A 7 15.090 6.805 8.092 1.00 0.00 H new ATOM 0 HD22 LEU A 7 16.547 6.910 9.108 1.00 0.00 H new ATOM 0 HD23 LEU A 7 16.085 5.356 8.373 1.00 0.00 H new ATOM 127 N SER A 8 17.415 2.712 11.665 1.00 0.00 N ATOM 128 CA SER A 8 18.579 1.829 11.365 1.00 0.00 C ATOM 129 C SER A 8 18.090 0.506 10.769 1.00 0.00 C ATOM 130 O SER A 8 18.799 -0.151 10.033 1.00 0.00 O ATOM 131 CB SER A 8 19.349 1.550 12.656 1.00 0.00 C ATOM 132 OG SER A 8 20.383 0.611 12.392 1.00 0.00 O ATOM 0 H SER A 8 17.461 3.201 12.559 1.00 0.00 H new ATOM 0 HA SER A 8 19.231 2.326 10.647 1.00 0.00 H new ATOM 0 HB2 SER A 8 19.773 2.475 13.047 1.00 0.00 H new ATOM 0 HB3 SER A 8 18.674 1.161 13.419 1.00 0.00 H new ATOM 0 HG SER A 8 20.880 0.431 13.217 1.00 0.00 H new ATOM 138 N ASP A 9 16.889 0.107 11.085 1.00 0.00 N ATOM 139 CA ASP A 9 16.363 -1.178 10.539 1.00 0.00 C ATOM 140 C ASP A 9 16.259 -1.092 9.013 1.00 0.00 C ATOM 141 O ASP A 9 16.747 -1.946 8.301 1.00 0.00 O ATOM 142 CB ASP A 9 14.977 -1.450 11.132 1.00 0.00 C ATOM 143 CG ASP A 9 15.103 -2.441 12.291 1.00 0.00 C ATOM 144 OD1 ASP A 9 15.370 -1.999 13.397 1.00 0.00 O ATOM 145 OD2 ASP A 9 14.929 -3.625 12.055 1.00 0.00 O ATOM 0 H ASP A 9 16.249 0.614 11.697 1.00 0.00 H new ATOM 0 HA ASP A 9 17.042 -1.988 10.805 1.00 0.00 H new ATOM 0 HB2 ASP A 9 14.531 -0.519 11.482 1.00 0.00 H new ATOM 0 HB3 ASP A 9 14.315 -1.853 10.366 1.00 0.00 H new ATOM 150 N ILE A 10 15.620 -0.074 8.506 1.00 0.00 N ATOM 151 CA ILE A 10 15.480 0.057 7.026 1.00 0.00 C ATOM 152 C ILE A 10 16.856 0.283 6.389 1.00 0.00 C ATOM 153 O ILE A 10 17.130 -0.191 5.304 1.00 0.00 O ATOM 154 CB ILE A 10 14.560 1.241 6.706 1.00 0.00 C ATOM 155 CG1 ILE A 10 13.109 0.840 6.979 1.00 0.00 C ATOM 156 CG2 ILE A 10 14.707 1.629 5.232 1.00 0.00 C ATOM 157 CD1 ILE A 10 12.627 1.507 8.269 1.00 0.00 C ATOM 0 H ILE A 10 15.189 0.673 9.051 1.00 0.00 H new ATOM 0 HA ILE A 10 15.049 -0.859 6.621 1.00 0.00 H new ATOM 0 HB ILE A 10 14.834 2.090 7.332 1.00 0.00 H new ATOM 0 HG12 ILE A 10 12.475 1.139 6.144 1.00 0.00 H new ATOM 0 HG13 ILE A 10 13.031 -0.244 7.067 1.00 0.00 H new ATOM 0 HG21 ILE A 10 14.051 2.471 5.010 1.00 0.00 H new ATOM 0 HG22 ILE A 10 15.740 1.912 5.031 1.00 0.00 H new ATOM 0 HG23 ILE A 10 14.434 0.781 4.604 1.00 0.00 H new ATOM 0 HD11 ILE A 10 11.593 1.221 8.462 1.00 0.00 H new ATOM 0 HD12 ILE A 10 13.254 1.186 9.101 1.00 0.00 H new ATOM 0 HD13 ILE A 10 12.690 2.590 8.164 1.00 0.00 H new ATOM 169 N THR A 11 17.720 1.005 7.048 1.00 0.00 N ATOM 170 CA THR A 11 19.070 1.260 6.469 1.00 0.00 C ATOM 171 C THR A 11 19.984 0.062 6.735 1.00 0.00 C ATOM 172 O THR A 11 21.169 0.104 6.469 1.00 0.00 O ATOM 173 CB THR A 11 19.672 2.511 7.113 1.00 0.00 C ATOM 174 OG1 THR A 11 19.618 2.386 8.527 1.00 0.00 O ATOM 175 CG2 THR A 11 18.881 3.746 6.679 1.00 0.00 C ATOM 0 H THR A 11 17.551 1.429 7.960 1.00 0.00 H new ATOM 0 HA THR A 11 18.977 1.409 5.393 1.00 0.00 H new ATOM 0 HB THR A 11 20.709 2.618 6.795 1.00 0.00 H new ATOM 0 HG1 THR A 11 20.143 3.103 8.939 1.00 0.00 H new ATOM 0 HG21 THR A 11 19.312 4.635 7.139 1.00 0.00 H new ATOM 0 HG22 THR A 11 18.923 3.842 5.594 1.00 0.00 H new ATOM 0 HG23 THR A 11 17.843 3.642 6.994 1.00 0.00 H new ATOM 183 N ASP A 12 19.448 -1.006 7.260 1.00 0.00 N ATOM 184 CA ASP A 12 20.293 -2.200 7.542 1.00 0.00 C ATOM 185 C ASP A 12 20.587 -2.944 6.238 1.00 0.00 C ATOM 186 O ASP A 12 21.305 -3.924 6.222 1.00 0.00 O ATOM 187 CB ASP A 12 19.555 -3.131 8.506 1.00 0.00 C ATOM 188 CG ASP A 12 20.440 -4.337 8.830 1.00 0.00 C ATOM 189 OD1 ASP A 12 21.267 -4.219 9.719 1.00 0.00 O ATOM 190 OD2 ASP A 12 20.275 -5.357 8.182 1.00 0.00 O ATOM 0 H ASP A 12 18.463 -1.103 7.505 1.00 0.00 H new ATOM 0 HA ASP A 12 21.232 -1.879 7.993 1.00 0.00 H new ATOM 0 HB2 ASP A 12 19.301 -2.597 9.421 1.00 0.00 H new ATOM 0 HB3 ASP A 12 18.617 -3.464 8.061 1.00 0.00 H new ATOM 195 N ALA A 13 20.037 -2.492 5.144 1.00 0.00 N ATOM 196 CA ALA A 13 20.286 -3.181 3.849 1.00 0.00 C ATOM 197 C ALA A 13 21.397 -2.458 3.083 1.00 0.00 C ATOM 198 O ALA A 13 21.695 -2.787 1.952 1.00 0.00 O ATOM 199 CB ALA A 13 19.007 -3.179 3.012 1.00 0.00 C ATOM 0 H ALA A 13 19.427 -1.676 5.092 1.00 0.00 H new ATOM 0 HA ALA A 13 20.592 -4.209 4.044 1.00 0.00 H new ATOM 0 HB1 ALA A 13 19.192 -3.684 2.064 1.00 0.00 H new ATOM 0 HB2 ALA A 13 18.217 -3.700 3.553 1.00 0.00 H new ATOM 0 HB3 ALA A 13 18.699 -2.151 2.821 1.00 0.00 H new ATOM 205 N PHE A 14 22.012 -1.477 3.686 1.00 0.00 N ATOM 206 CA PHE A 14 23.103 -0.741 2.989 1.00 0.00 C ATOM 207 C PHE A 14 24.446 -1.412 3.296 1.00 0.00 C ATOM 208 O PHE A 14 25.495 -0.817 3.149 1.00 0.00 O ATOM 209 CB PHE A 14 23.135 0.710 3.476 1.00 0.00 C ATOM 210 CG PHE A 14 22.389 1.588 2.498 1.00 0.00 C ATOM 211 CD1 PHE A 14 22.850 1.719 1.182 1.00 0.00 C ATOM 212 CD2 PHE A 14 21.238 2.272 2.907 1.00 0.00 C ATOM 213 CE1 PHE A 14 22.159 2.533 0.276 1.00 0.00 C ATOM 214 CE2 PHE A 14 20.548 3.086 2.000 1.00 0.00 C ATOM 215 CZ PHE A 14 21.008 3.216 0.685 1.00 0.00 C ATOM 0 H PHE A 14 21.805 -1.154 4.631 1.00 0.00 H new ATOM 0 HA PHE A 14 22.923 -0.758 1.914 1.00 0.00 H new ATOM 0 HB2 PHE A 14 22.682 0.783 4.465 1.00 0.00 H new ATOM 0 HB3 PHE A 14 24.166 1.050 3.572 1.00 0.00 H new ATOM 0 HD1 PHE A 14 23.738 1.192 0.866 1.00 0.00 H new ATOM 0 HD2 PHE A 14 20.882 2.172 3.922 1.00 0.00 H new ATOM 0 HE1 PHE A 14 22.514 2.634 -0.739 1.00 0.00 H new ATOM 0 HE2 PHE A 14 19.660 3.614 2.316 1.00 0.00 H new ATOM 0 HZ PHE A 14 20.475 3.843 -0.014 1.00 0.00 H new ATOM 225 N SER A 15 24.421 -2.645 3.730 1.00 0.00 N ATOM 226 CA SER A 15 25.694 -3.351 4.057 1.00 0.00 C ATOM 227 C SER A 15 26.314 -3.956 2.791 1.00 0.00 C ATOM 228 O SER A 15 27.505 -3.844 2.578 1.00 0.00 O ATOM 229 CB SER A 15 25.415 -4.462 5.070 1.00 0.00 C ATOM 230 OG SER A 15 25.515 -3.933 6.386 1.00 0.00 O ATOM 0 H SER A 15 23.573 -3.194 3.872 1.00 0.00 H new ATOM 0 HA SER A 15 26.395 -2.632 4.481 1.00 0.00 H new ATOM 0 HB2 SER A 15 24.420 -4.877 4.907 1.00 0.00 H new ATOM 0 HB3 SER A 15 26.126 -5.277 4.938 1.00 0.00 H new ATOM 0 HG SER A 15 25.335 -4.642 7.038 1.00 0.00 H new ATOM 236 N PRO A 16 25.491 -4.582 1.990 1.00 0.00 N ATOM 237 CA PRO A 16 25.870 -5.251 0.702 1.00 0.00 C ATOM 238 C PRO A 16 25.943 -4.212 -0.418 1.00 0.00 C ATOM 239 O PRO A 16 26.891 -4.167 -1.176 1.00 0.00 O ATOM 240 CB PRO A 16 24.771 -6.263 0.421 1.00 0.00 C ATOM 241 CG PRO A 16 23.540 -5.776 1.152 1.00 0.00 C ATOM 242 CD PRO A 16 24.008 -4.754 2.188 1.00 0.00 C ATOM 0 HA PRO A 16 26.845 -5.734 0.763 1.00 0.00 H new ATOM 0 HB2 PRO A 16 24.581 -6.341 -0.649 1.00 0.00 H new ATOM 0 HB3 PRO A 16 25.060 -7.255 0.767 1.00 0.00 H new ATOM 0 HG2 PRO A 16 22.833 -5.324 0.457 1.00 0.00 H new ATOM 0 HG3 PRO A 16 23.025 -6.606 1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 16 23.488 -3.805 2.057 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.790 -5.100 3.198 1.00 0.00 H new ATOM 250 N GLN A 17 24.951 -3.371 -0.524 1.00 0.00 N ATOM 251 CA GLN A 17 24.971 -2.331 -1.592 1.00 0.00 C ATOM 252 C GLN A 17 26.300 -1.579 -1.530 1.00 0.00 C ATOM 253 O GLN A 17 26.852 -1.183 -2.538 1.00 0.00 O ATOM 254 CB GLN A 17 23.817 -1.349 -1.375 1.00 0.00 C ATOM 255 CG GLN A 17 22.688 -1.664 -2.358 1.00 0.00 C ATOM 256 CD GLN A 17 22.130 -0.360 -2.932 1.00 0.00 C ATOM 257 OE1 GLN A 17 22.261 -0.097 -4.112 1.00 0.00 O ATOM 258 NE2 GLN A 17 21.509 0.474 -2.143 1.00 0.00 N ATOM 0 H GLN A 17 24.130 -3.359 0.081 1.00 0.00 H new ATOM 0 HA GLN A 17 24.860 -2.804 -2.568 1.00 0.00 H new ATOM 0 HB2 GLN A 17 23.452 -1.421 -0.350 1.00 0.00 H new ATOM 0 HB3 GLN A 17 24.164 -0.326 -1.519 1.00 0.00 H new ATOM 0 HG2 GLN A 17 23.059 -2.298 -3.163 1.00 0.00 H new ATOM 0 HG3 GLN A 17 21.897 -2.219 -1.854 1.00 0.00 H new ATOM 0 HE21 GLN A 17 21.399 0.254 -1.153 1.00 0.00 H new ATOM 0 HE22 GLN A 17 21.134 1.346 -2.516 1.00 0.00 H new ATOM 267 N VAL A 18 26.822 -1.387 -0.351 1.00 0.00 N ATOM 268 CA VAL A 18 28.117 -0.670 -0.216 1.00 0.00 C ATOM 269 C VAL A 18 29.249 -1.577 -0.693 1.00 0.00 C ATOM 270 O VAL A 18 30.132 -1.147 -1.397 1.00 0.00 O ATOM 271 CB VAL A 18 28.343 -0.296 1.245 1.00 0.00 C ATOM 272 CG1 VAL A 18 29.781 0.189 1.433 1.00 0.00 C ATOM 273 CG2 VAL A 18 27.372 0.818 1.642 1.00 0.00 C ATOM 0 H VAL A 18 26.405 -1.697 0.527 1.00 0.00 H new ATOM 0 HA VAL A 18 28.097 0.236 -0.821 1.00 0.00 H new ATOM 0 HB VAL A 18 28.171 -1.170 1.874 1.00 0.00 H new ATOM 0 HG11 VAL A 18 29.941 0.456 2.478 1.00 0.00 H new ATOM 0 HG12 VAL A 18 30.473 -0.605 1.151 1.00 0.00 H new ATOM 0 HG13 VAL A 18 29.956 1.062 0.804 1.00 0.00 H new ATOM 0 HG21 VAL A 18 27.533 1.086 2.686 1.00 0.00 H new ATOM 0 HG22 VAL A 18 27.543 1.691 1.013 1.00 0.00 H new ATOM 0 HG23 VAL A 18 26.347 0.471 1.510 1.00 0.00 H new ATOM 283 N LEU A 19 29.228 -2.831 -0.325 1.00 0.00 N ATOM 284 CA LEU A 19 30.311 -3.751 -0.777 1.00 0.00 C ATOM 285 C LEU A 19 30.558 -3.518 -2.264 1.00 0.00 C ATOM 286 O LEU A 19 31.678 -3.334 -2.699 1.00 0.00 O ATOM 287 CB LEU A 19 29.884 -5.203 -0.549 1.00 0.00 C ATOM 288 CG LEU A 19 31.126 -6.093 -0.469 1.00 0.00 C ATOM 289 CD1 LEU A 19 30.809 -7.348 0.346 1.00 0.00 C ATOM 290 CD2 LEU A 19 31.551 -6.498 -1.881 1.00 0.00 C ATOM 0 H LEU A 19 28.512 -3.255 0.265 1.00 0.00 H new ATOM 0 HA LEU A 19 31.223 -3.558 -0.212 1.00 0.00 H new ATOM 0 HB2 LEU A 19 29.306 -5.283 0.372 1.00 0.00 H new ATOM 0 HB3 LEU A 19 29.237 -5.535 -1.361 1.00 0.00 H new ATOM 0 HG LEU A 19 31.934 -5.544 0.014 1.00 0.00 H new ATOM 0 HD11 LEU A 19 31.696 -7.980 0.401 1.00 0.00 H new ATOM 0 HD12 LEU A 19 30.505 -7.061 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 19 30.000 -7.899 -0.134 1.00 0.00 H new ATOM 0 HD21 LEU A 19 32.436 -7.132 -1.827 1.00 0.00 H new ATOM 0 HD22 LEU A 19 30.741 -7.046 -2.362 1.00 0.00 H new ATOM 0 HD23 LEU A 19 31.780 -5.605 -2.462 1.00 0.00 H new ATOM 302 N ALA A 20 29.516 -3.502 -3.044 1.00 0.00 N ATOM 303 CA ALA A 20 29.686 -3.254 -4.500 1.00 0.00 C ATOM 304 C ALA A 20 30.448 -1.945 -4.672 1.00 0.00 C ATOM 305 O ALA A 20 31.445 -1.871 -5.361 1.00 0.00 O ATOM 306 CB ALA A 20 28.312 -3.122 -5.154 1.00 0.00 C ATOM 0 H ALA A 20 28.555 -3.650 -2.737 1.00 0.00 H new ATOM 0 HA ALA A 20 30.230 -4.077 -4.964 1.00 0.00 H new ATOM 0 HB1 ALA A 20 28.433 -2.940 -6.222 1.00 0.00 H new ATOM 0 HB2 ALA A 20 27.748 -4.043 -5.005 1.00 0.00 H new ATOM 0 HB3 ALA A 20 27.773 -2.289 -4.703 1.00 0.00 H new ATOM 312 N ALA A 21 29.979 -0.917 -4.028 1.00 0.00 N ATOM 313 CA ALA A 21 30.656 0.405 -4.115 1.00 0.00 C ATOM 314 C ALA A 21 32.161 0.203 -3.972 1.00 0.00 C ATOM 315 O ALA A 21 32.945 0.621 -4.801 1.00 0.00 O ATOM 316 CB ALA A 21 30.155 1.291 -2.972 1.00 0.00 C ATOM 0 H ALA A 21 29.147 -0.935 -3.439 1.00 0.00 H new ATOM 0 HA ALA A 21 30.438 0.876 -5.073 1.00 0.00 H new ATOM 0 HB1 ALA A 21 30.644 2.264 -3.024 1.00 0.00 H new ATOM 0 HB2 ALA A 21 29.076 1.422 -3.059 1.00 0.00 H new ATOM 0 HB3 ALA A 21 30.387 0.819 -2.017 1.00 0.00 H new ATOM 322 N VAL A 22 32.560 -0.441 -2.917 1.00 0.00 N ATOM 323 CA VAL A 22 34.007 -0.694 -2.682 1.00 0.00 C ATOM 324 C VAL A 22 34.667 -1.139 -3.988 1.00 0.00 C ATOM 325 O VAL A 22 35.654 -0.575 -4.416 1.00 0.00 O ATOM 326 CB VAL A 22 34.161 -1.785 -1.619 1.00 0.00 C ATOM 327 CG1 VAL A 22 35.606 -2.284 -1.601 1.00 0.00 C ATOM 328 CG2 VAL A 22 33.809 -1.206 -0.248 1.00 0.00 C ATOM 0 H VAL A 22 31.938 -0.809 -2.197 1.00 0.00 H new ATOM 0 HA VAL A 22 34.490 0.219 -2.334 1.00 0.00 H new ATOM 0 HB VAL A 22 33.494 -2.615 -1.851 1.00 0.00 H new ATOM 0 HG11 VAL A 22 35.713 -3.061 -0.844 1.00 0.00 H new ATOM 0 HG12 VAL A 22 35.862 -2.693 -2.579 1.00 0.00 H new ATOM 0 HG13 VAL A 22 36.274 -1.455 -1.368 1.00 0.00 H new ATOM 0 HG21 VAL A 22 33.917 -1.980 0.512 1.00 0.00 H new ATOM 0 HG22 VAL A 22 34.479 -0.377 -0.020 1.00 0.00 H new ATOM 0 HG23 VAL A 22 32.779 -0.848 -0.258 1.00 0.00 H new ATOM 338 N ILE A 23 34.130 -2.139 -4.632 1.00 0.00 N ATOM 339 CA ILE A 23 34.733 -2.601 -5.914 1.00 0.00 C ATOM 340 C ILE A 23 34.787 -1.420 -6.885 1.00 0.00 C ATOM 341 O ILE A 23 35.780 -1.194 -7.547 1.00 0.00 O ATOM 342 CB ILE A 23 33.882 -3.730 -6.504 1.00 0.00 C ATOM 343 CG1 ILE A 23 34.146 -5.021 -5.727 1.00 0.00 C ATOM 344 CG2 ILE A 23 34.248 -3.943 -7.976 1.00 0.00 C ATOM 345 CD1 ILE A 23 32.872 -5.866 -5.693 1.00 0.00 C ATOM 0 H ILE A 23 33.304 -2.654 -4.328 1.00 0.00 H new ATOM 0 HA ILE A 23 35.741 -2.977 -5.740 1.00 0.00 H new ATOM 0 HB ILE A 23 32.828 -3.462 -6.430 1.00 0.00 H new ATOM 0 HG12 ILE A 23 34.954 -5.582 -6.196 1.00 0.00 H new ATOM 0 HG13 ILE A 23 34.467 -4.788 -4.712 1.00 0.00 H new ATOM 0 HG21 ILE A 23 33.639 -4.747 -8.390 1.00 0.00 H new ATOM 0 HG22 ILE A 23 34.063 -3.025 -8.533 1.00 0.00 H new ATOM 0 HG23 ILE A 23 35.302 -4.209 -8.054 1.00 0.00 H new ATOM 0 HD11 ILE A 23 33.060 -6.786 -5.139 1.00 0.00 H new ATOM 0 HD12 ILE A 23 32.076 -5.305 -5.204 1.00 0.00 H new ATOM 0 HD13 ILE A 23 32.570 -6.111 -6.711 1.00 0.00 H new ATOM 357 N PHE A 24 33.732 -0.654 -6.962 1.00 0.00 N ATOM 358 CA PHE A 24 33.735 0.523 -7.874 1.00 0.00 C ATOM 359 C PHE A 24 35.025 1.306 -7.649 1.00 0.00 C ATOM 360 O PHE A 24 35.623 1.812 -8.574 1.00 0.00 O ATOM 361 CB PHE A 24 32.532 1.414 -7.560 1.00 0.00 C ATOM 362 CG PHE A 24 31.991 2.013 -8.835 1.00 0.00 C ATOM 363 CD1 PHE A 24 32.869 2.519 -9.800 1.00 0.00 C ATOM 364 CD2 PHE A 24 30.609 2.066 -9.049 1.00 0.00 C ATOM 365 CE1 PHE A 24 32.364 3.078 -10.981 1.00 0.00 C ATOM 366 CE2 PHE A 24 30.104 2.624 -10.230 1.00 0.00 C ATOM 367 CZ PHE A 24 30.982 3.130 -11.195 1.00 0.00 C ATOM 0 H PHE A 24 32.871 -0.793 -6.434 1.00 0.00 H new ATOM 0 HA PHE A 24 33.674 0.195 -8.912 1.00 0.00 H new ATOM 0 HB2 PHE A 24 31.756 0.831 -7.064 1.00 0.00 H new ATOM 0 HB3 PHE A 24 32.825 2.206 -6.871 1.00 0.00 H new ATOM 0 HD1 PHE A 24 33.935 2.479 -9.634 1.00 0.00 H new ATOM 0 HD2 PHE A 24 29.932 1.677 -8.303 1.00 0.00 H new ATOM 0 HE1 PHE A 24 33.041 3.469 -11.726 1.00 0.00 H new ATOM 0 HE2 PHE A 24 29.038 2.664 -10.396 1.00 0.00 H new ATOM 0 HZ PHE A 24 30.593 3.561 -12.106 1.00 0.00 H new ATOM 377 N ILE A 25 35.466 1.395 -6.422 1.00 0.00 N ATOM 378 CA ILE A 25 36.731 2.127 -6.134 1.00 0.00 C ATOM 379 C ILE A 25 37.899 1.285 -6.645 1.00 0.00 C ATOM 380 O ILE A 25 38.807 1.783 -7.282 1.00 0.00 O ATOM 381 CB ILE A 25 36.863 2.339 -4.626 1.00 0.00 C ATOM 382 CG1 ILE A 25 35.793 3.328 -4.157 1.00 0.00 C ATOM 383 CG2 ILE A 25 38.251 2.896 -4.306 1.00 0.00 C ATOM 384 CD1 ILE A 25 35.635 3.229 -2.639 1.00 0.00 C ATOM 0 H ILE A 25 35.003 0.992 -5.607 1.00 0.00 H new ATOM 0 HA ILE A 25 36.729 3.099 -6.627 1.00 0.00 H new ATOM 0 HB ILE A 25 36.730 1.387 -4.112 1.00 0.00 H new ATOM 0 HG12 ILE A 25 36.073 4.343 -4.438 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.844 3.112 -4.647 1.00 0.00 H new ATOM 0 HG21 ILE A 25 38.344 3.047 -3.230 1.00 0.00 H new ATOM 0 HG22 ILE A 25 39.012 2.191 -4.640 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.388 3.848 -4.819 1.00 0.00 H new ATOM 0 HD11 ILE A 25 34.873 3.934 -2.306 1.00 0.00 H new ATOM 0 HD12 ILE A 25 35.335 2.216 -2.370 1.00 0.00 H new ATOM 0 HD13 ILE A 25 36.584 3.467 -2.158 1.00 0.00 H new ATOM 396 N TYR A 26 37.869 0.003 -6.397 1.00 0.00 N ATOM 397 CA TYR A 26 38.961 -0.871 -6.902 1.00 0.00 C ATOM 398 C TYR A 26 39.101 -0.614 -8.400 1.00 0.00 C ATOM 399 O TYR A 26 40.140 -0.821 -8.994 1.00 0.00 O ATOM 400 CB TYR A 26 38.590 -2.335 -6.656 1.00 0.00 C ATOM 401 CG TYR A 26 39.762 -3.222 -6.993 1.00 0.00 C ATOM 402 CD1 TYR A 26 41.035 -2.922 -6.494 1.00 0.00 C ATOM 403 CD2 TYR A 26 39.574 -4.348 -7.802 1.00 0.00 C ATOM 404 CE1 TYR A 26 42.120 -3.750 -6.805 1.00 0.00 C ATOM 405 CE2 TYR A 26 40.658 -5.175 -8.113 1.00 0.00 C ATOM 406 CZ TYR A 26 41.932 -4.876 -7.615 1.00 0.00 C ATOM 407 OH TYR A 26 43.002 -5.692 -7.922 1.00 0.00 O ATOM 0 H TYR A 26 37.138 -0.473 -5.869 1.00 0.00 H new ATOM 0 HA TYR A 26 39.900 -0.658 -6.391 1.00 0.00 H new ATOM 0 HB2 TYR A 26 38.302 -2.477 -5.614 1.00 0.00 H new ATOM 0 HB3 TYR A 26 37.728 -2.609 -7.265 1.00 0.00 H new ATOM 0 HD1 TYR A 26 41.180 -2.053 -5.870 1.00 0.00 H new ATOM 0 HD2 TYR A 26 38.591 -4.579 -8.186 1.00 0.00 H new ATOM 0 HE1 TYR A 26 43.102 -3.520 -6.420 1.00 0.00 H new ATOM 0 HE2 TYR A 26 40.512 -6.044 -8.737 1.00 0.00 H new ATOM 0 HH TYR A 26 42.698 -6.429 -8.492 1.00 0.00 H new ATOM 417 N PHE A 27 38.044 -0.145 -9.000 1.00 0.00 N ATOM 418 CA PHE A 27 38.057 0.163 -10.450 1.00 0.00 C ATOM 419 C PHE A 27 38.513 1.608 -10.638 1.00 0.00 C ATOM 420 O PHE A 27 39.150 1.961 -11.610 1.00 0.00 O ATOM 421 CB PHE A 27 36.633 0.028 -10.982 1.00 0.00 C ATOM 422 CG PHE A 27 36.669 -0.237 -12.466 1.00 0.00 C ATOM 423 CD1 PHE A 27 37.072 0.775 -13.345 1.00 0.00 C ATOM 424 CD2 PHE A 27 36.302 -1.492 -12.963 1.00 0.00 C ATOM 425 CE1 PHE A 27 37.107 0.531 -14.722 1.00 0.00 C ATOM 426 CE2 PHE A 27 36.337 -1.736 -14.341 1.00 0.00 C ATOM 427 CZ PHE A 27 36.740 -0.725 -15.221 1.00 0.00 C ATOM 0 H PHE A 27 37.156 0.040 -8.534 1.00 0.00 H new ATOM 0 HA PHE A 27 38.728 -0.515 -10.978 1.00 0.00 H new ATOM 0 HB2 PHE A 27 36.119 -0.785 -10.470 1.00 0.00 H new ATOM 0 HB3 PHE A 27 36.070 0.939 -10.779 1.00 0.00 H new ATOM 0 HD1 PHE A 27 37.356 1.744 -12.960 1.00 0.00 H new ATOM 0 HD2 PHE A 27 35.992 -2.272 -12.284 1.00 0.00 H new ATOM 0 HE1 PHE A 27 37.417 1.312 -15.401 1.00 0.00 H new ATOM 0 HE2 PHE A 27 36.053 -2.705 -14.725 1.00 0.00 H new ATOM 0 HZ PHE A 27 36.768 -0.913 -16.284 1.00 0.00 H new ATOM 437 N ALA A 28 38.148 2.446 -9.714 1.00 0.00 N ATOM 438 CA ALA A 28 38.503 3.888 -9.803 1.00 0.00 C ATOM 439 C ALA A 28 39.838 4.183 -9.102 1.00 0.00 C ATOM 440 O ALA A 28 40.820 4.523 -9.732 1.00 0.00 O ATOM 441 CB ALA A 28 37.399 4.704 -9.129 1.00 0.00 C ATOM 0 H ALA A 28 37.610 2.190 -8.886 1.00 0.00 H new ATOM 0 HA ALA A 28 38.604 4.156 -10.855 1.00 0.00 H new ATOM 0 HB1 ALA A 28 37.644 5.765 -9.186 1.00 0.00 H new ATOM 0 HB2 ALA A 28 36.451 4.523 -9.636 1.00 0.00 H new ATOM 0 HB3 ALA A 28 37.313 4.407 -8.084 1.00 0.00 H new ATOM 447 N ALA A 29 39.862 4.105 -7.797 1.00 0.00 N ATOM 448 CA ALA A 29 41.107 4.434 -7.037 1.00 0.00 C ATOM 449 C ALA A 29 42.121 3.284 -7.056 1.00 0.00 C ATOM 450 O ALA A 29 43.239 3.443 -7.503 1.00 0.00 O ATOM 451 CB ALA A 29 40.730 4.735 -5.587 1.00 0.00 C ATOM 0 H ALA A 29 39.068 3.826 -7.221 1.00 0.00 H new ATOM 0 HA ALA A 29 41.573 5.296 -7.514 1.00 0.00 H new ATOM 0 HB1 ALA A 29 41.629 4.977 -5.020 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.044 5.581 -5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.248 3.862 -5.148 1.00 0.00 H new ATOM 457 N LEU A 30 41.761 2.141 -6.543 1.00 0.00 N ATOM 458 CA LEU A 30 42.729 1.006 -6.501 1.00 0.00 C ATOM 459 C LEU A 30 42.729 0.245 -7.829 1.00 0.00 C ATOM 460 O LEU A 30 43.029 -0.931 -7.878 1.00 0.00 O ATOM 461 CB LEU A 30 42.345 0.055 -5.364 1.00 0.00 C ATOM 462 CG LEU A 30 42.807 0.642 -4.029 1.00 0.00 C ATOM 463 CD1 LEU A 30 42.265 -0.214 -2.883 1.00 0.00 C ATOM 464 CD2 LEU A 30 44.336 0.653 -3.973 1.00 0.00 C ATOM 0 H LEU A 30 40.840 1.942 -6.151 1.00 0.00 H new ATOM 0 HA LEU A 30 43.729 1.404 -6.331 1.00 0.00 H new ATOM 0 HB2 LEU A 30 41.266 -0.097 -5.352 1.00 0.00 H new ATOM 0 HB3 LEU A 30 42.803 -0.921 -5.522 1.00 0.00 H new ATOM 0 HG LEU A 30 42.433 1.662 -3.934 1.00 0.00 H new ATOM 0 HD11 LEU A 30 42.593 0.203 -1.931 1.00 0.00 H new ATOM 0 HD12 LEU A 30 41.176 -0.223 -2.919 1.00 0.00 H new ATOM 0 HD13 LEU A 30 42.639 -1.233 -2.981 1.00 0.00 H new ATOM 0 HD21 LEU A 30 44.662 1.072 -3.021 1.00 0.00 H new ATOM 0 HD22 LEU A 30 44.711 -0.366 -4.069 1.00 0.00 H new ATOM 0 HD23 LEU A 30 44.726 1.261 -4.789 1.00 0.00 H new ATOM 476 N SER A 31 42.401 0.900 -8.905 1.00 0.00 N ATOM 477 CA SER A 31 42.390 0.204 -10.222 1.00 0.00 C ATOM 478 C SER A 31 43.813 0.140 -10.792 1.00 0.00 C ATOM 479 O SER A 31 44.275 -0.909 -11.194 1.00 0.00 O ATOM 480 CB SER A 31 41.476 0.959 -11.189 1.00 0.00 C ATOM 481 OG SER A 31 42.240 1.460 -12.280 1.00 0.00 O ATOM 0 H SER A 31 42.140 1.886 -8.931 1.00 0.00 H new ATOM 0 HA SER A 31 42.017 -0.812 -10.090 1.00 0.00 H new ATOM 0 HB2 SER A 31 40.692 0.296 -11.556 1.00 0.00 H new ATOM 0 HB3 SER A 31 40.982 1.781 -10.671 1.00 0.00 H new ATOM 0 HG SER A 31 41.636 1.800 -12.973 1.00 0.00 H new ATOM 487 N PRO A 32 44.453 1.277 -10.820 1.00 0.00 N ATOM 488 CA PRO A 32 45.842 1.508 -11.336 1.00 0.00 C ATOM 489 C PRO A 32 46.870 1.361 -10.211 1.00 0.00 C ATOM 490 O PRO A 32 48.055 1.244 -10.451 1.00 0.00 O ATOM 491 CB PRO A 32 45.828 2.940 -11.854 1.00 0.00 C ATOM 492 CG PRO A 32 44.717 3.659 -11.108 1.00 0.00 C ATOM 493 CD PRO A 32 43.931 2.595 -10.338 1.00 0.00 C ATOM 0 HA PRO A 32 46.117 0.788 -12.107 1.00 0.00 H new ATOM 0 HB2 PRO A 32 46.789 3.425 -11.680 1.00 0.00 H new ATOM 0 HB3 PRO A 32 45.650 2.962 -12.929 1.00 0.00 H new ATOM 0 HG2 PRO A 32 45.129 4.402 -10.426 1.00 0.00 H new ATOM 0 HG3 PRO A 32 44.067 4.190 -11.803 1.00 0.00 H new ATOM 0 HD2 PRO A 32 44.075 2.704 -9.263 1.00 0.00 H new ATOM 0 HD3 PRO A 32 42.861 2.685 -10.527 1.00 0.00 H new ATOM 501 N ALA A 33 46.427 1.375 -8.986 1.00 0.00 N ATOM 502 CA ALA A 33 47.374 1.245 -7.842 1.00 0.00 C ATOM 503 C ALA A 33 48.246 0.000 -8.018 1.00 0.00 C ATOM 504 O ALA A 33 49.334 -0.088 -7.484 1.00 0.00 O ATOM 505 CB ALA A 33 46.576 1.116 -6.546 1.00 0.00 C ATOM 0 H ALA A 33 45.446 1.471 -8.725 1.00 0.00 H new ATOM 0 HA ALA A 33 48.013 2.127 -7.805 1.00 0.00 H new ATOM 0 HB1 ALA A 33 47.262 1.020 -5.704 1.00 0.00 H new ATOM 0 HB2 ALA A 33 45.956 2.003 -6.410 1.00 0.00 H new ATOM 0 HB3 ALA A 33 45.939 0.233 -6.597 1.00 0.00 H new ATOM 511 N ILE A 34 47.774 -0.968 -8.750 1.00 0.00 N ATOM 512 CA ILE A 34 48.578 -2.212 -8.943 1.00 0.00 C ATOM 513 C ILE A 34 49.776 -1.928 -9.855 1.00 0.00 C ATOM 514 O ILE A 34 50.906 -1.879 -9.412 1.00 0.00 O ATOM 515 CB ILE A 34 47.718 -3.315 -9.573 1.00 0.00 C ATOM 516 CG1 ILE A 34 46.239 -3.090 -9.238 1.00 0.00 C ATOM 517 CG2 ILE A 34 48.162 -4.671 -9.020 1.00 0.00 C ATOM 518 CD1 ILE A 34 45.438 -4.353 -9.567 1.00 0.00 C ATOM 0 H ILE A 34 46.870 -0.955 -9.223 1.00 0.00 H new ATOM 0 HA ILE A 34 48.931 -2.545 -7.967 1.00 0.00 H new ATOM 0 HB ILE A 34 47.843 -3.293 -10.656 1.00 0.00 H new ATOM 0 HG12 ILE A 34 46.129 -2.842 -8.182 1.00 0.00 H new ATOM 0 HG13 ILE A 34 45.852 -2.244 -9.806 1.00 0.00 H new ATOM 0 HG21 ILE A 34 47.555 -5.461 -9.463 1.00 0.00 H new ATOM 0 HG22 ILE A 34 49.211 -4.838 -9.265 1.00 0.00 H new ATOM 0 HG23 ILE A 34 48.037 -4.681 -7.937 1.00 0.00 H new ATOM 0 HD11 ILE A 34 44.387 -4.190 -9.328 1.00 0.00 H new ATOM 0 HD12 ILE A 34 45.537 -4.581 -10.628 1.00 0.00 H new ATOM 0 HD13 ILE A 34 45.818 -5.189 -8.979 1.00 0.00 H new ATOM 530 N THR A 35 49.540 -1.755 -11.126 1.00 0.00 N ATOM 531 CA THR A 35 50.667 -1.492 -12.067 1.00 0.00 C ATOM 532 C THR A 35 51.435 -0.247 -11.632 1.00 0.00 C ATOM 533 O THR A 35 52.632 -0.283 -11.430 1.00 0.00 O ATOM 534 CB THR A 35 50.114 -1.277 -13.478 1.00 0.00 C ATOM 535 OG1 THR A 35 49.083 -2.222 -13.729 1.00 0.00 O ATOM 536 CG2 THR A 35 51.236 -1.459 -14.501 1.00 0.00 C ATOM 0 H THR A 35 48.615 -1.784 -11.555 1.00 0.00 H new ATOM 0 HA THR A 35 51.341 -2.349 -12.061 1.00 0.00 H new ATOM 0 HB THR A 35 49.711 -0.268 -13.561 1.00 0.00 H new ATOM 0 HG1 THR A 35 48.726 -2.085 -14.631 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.841 -1.306 -15.505 1.00 0.00 H new ATOM 0 HG22 THR A 35 52.026 -0.734 -14.307 1.00 0.00 H new ATOM 0 HG23 THR A 35 51.642 -2.468 -14.421 1.00 0.00 H new ATOM 544 N PHE A 36 50.760 0.855 -11.498 1.00 0.00 N ATOM 545 CA PHE A 36 51.458 2.105 -11.087 1.00 0.00 C ATOM 546 C PHE A 36 52.259 1.849 -9.809 1.00 0.00 C ATOM 547 O PHE A 36 51.707 1.656 -8.745 1.00 0.00 O ATOM 548 CB PHE A 36 50.431 3.211 -10.841 1.00 0.00 C ATOM 549 CG PHE A 36 50.755 4.393 -11.722 1.00 0.00 C ATOM 550 CD1 PHE A 36 51.946 5.103 -11.530 1.00 0.00 C ATOM 551 CD2 PHE A 36 49.868 4.776 -12.735 1.00 0.00 C ATOM 552 CE1 PHE A 36 52.250 6.196 -12.349 1.00 0.00 C ATOM 553 CE2 PHE A 36 50.172 5.869 -13.556 1.00 0.00 C ATOM 554 CZ PHE A 36 51.364 6.579 -13.362 1.00 0.00 C ATOM 0 H PHE A 36 49.756 0.947 -11.654 1.00 0.00 H new ATOM 0 HA PHE A 36 52.137 2.417 -11.880 1.00 0.00 H new ATOM 0 HB2 PHE A 36 49.427 2.846 -11.056 1.00 0.00 H new ATOM 0 HB3 PHE A 36 50.444 3.509 -9.793 1.00 0.00 H new ATOM 0 HD1 PHE A 36 52.631 4.807 -10.749 1.00 0.00 H new ATOM 0 HD2 PHE A 36 48.949 4.228 -12.883 1.00 0.00 H new ATOM 0 HE1 PHE A 36 53.169 6.744 -12.199 1.00 0.00 H new ATOM 0 HE2 PHE A 36 49.488 6.164 -14.338 1.00 0.00 H new ATOM 0 HZ PHE A 36 51.599 7.422 -13.995 1.00 0.00 H new ATOM 564 N GLY A 37 53.561 1.846 -9.909 1.00 0.00 N ATOM 565 CA GLY A 37 54.402 1.603 -8.703 1.00 0.00 C ATOM 566 C GLY A 37 55.873 1.832 -9.055 1.00 0.00 C ATOM 567 O GLY A 37 56.214 2.102 -10.189 1.00 0.00 O ATOM 0 H GLY A 37 54.078 2.001 -10.774 1.00 0.00 H new ATOM 0 HA2 GLY A 37 54.102 2.271 -7.896 1.00 0.00 H new ATOM 0 HA3 GLY A 37 54.257 0.584 -8.344 1.00 0.00 H new ATOM 571 N GLY A 38 56.748 1.728 -8.092 1.00 0.00 N ATOM 572 CA GLY A 38 58.196 1.941 -8.377 1.00 0.00 C ATOM 573 C GLY A 38 58.992 1.865 -7.073 1.00 0.00 C ATOM 574 O GLY A 38 60.078 1.322 -7.028 1.00 0.00 O ATOM 0 H GLY A 38 56.524 1.505 -7.122 1.00 0.00 H new ATOM 0 HA2 GLY A 38 58.554 1.187 -9.078 1.00 0.00 H new ATOM 0 HA3 GLY A 38 58.345 2.912 -8.850 1.00 0.00 H new ATOM 578 N LEU A 39 58.459 2.404 -6.012 1.00 0.00 N ATOM 579 CA LEU A 39 59.184 2.362 -4.712 1.00 0.00 C ATOM 580 C LEU A 39 59.402 0.900 -4.302 1.00 0.00 C ATOM 581 O LEU A 39 60.148 0.180 -4.934 1.00 0.00 O ATOM 582 CB LEU A 39 58.362 3.095 -3.648 1.00 0.00 C ATOM 583 CG LEU A 39 58.156 4.550 -4.070 1.00 0.00 C ATOM 584 CD1 LEU A 39 56.844 4.678 -4.847 1.00 0.00 C ATOM 585 CD2 LEU A 39 58.096 5.435 -2.825 1.00 0.00 C ATOM 0 H LEU A 39 57.553 2.872 -5.989 1.00 0.00 H new ATOM 0 HA LEU A 39 60.153 2.852 -4.810 1.00 0.00 H new ATOM 0 HB2 LEU A 39 57.398 2.604 -3.517 1.00 0.00 H new ATOM 0 HB3 LEU A 39 58.874 3.054 -2.687 1.00 0.00 H new ATOM 0 HG LEU A 39 58.985 4.865 -4.704 1.00 0.00 H new ATOM 0 HD11 LEU A 39 56.699 5.716 -5.147 1.00 0.00 H new ATOM 0 HD12 LEU A 39 56.883 4.046 -5.734 1.00 0.00 H new ATOM 0 HD13 LEU A 39 56.014 4.364 -4.214 1.00 0.00 H new ATOM 0 HD21 LEU A 39 57.949 6.473 -3.123 1.00 0.00 H new ATOM 0 HD22 LEU A 39 57.266 5.118 -2.193 1.00 0.00 H new ATOM 0 HD23 LEU A 39 59.030 5.346 -2.270 1.00 0.00 H new ATOM 597 N LEU A 40 58.757 0.446 -3.258 1.00 0.00 N ATOM 598 CA LEU A 40 58.937 -0.967 -2.837 1.00 0.00 C ATOM 599 C LEU A 40 57.705 -1.767 -3.256 1.00 0.00 C ATOM 600 O LEU A 40 57.672 -2.361 -4.315 1.00 0.00 O ATOM 601 CB LEU A 40 59.099 -1.029 -1.316 1.00 0.00 C ATOM 602 CG LEU A 40 60.548 -1.379 -0.976 1.00 0.00 C ATOM 603 CD1 LEU A 40 60.910 -2.715 -1.626 1.00 0.00 C ATOM 604 CD2 LEU A 40 61.474 -0.285 -1.514 1.00 0.00 C ATOM 0 H LEU A 40 58.117 0.994 -2.684 1.00 0.00 H new ATOM 0 HA LEU A 40 59.826 -1.386 -3.308 1.00 0.00 H new ATOM 0 HB2 LEU A 40 58.830 -0.071 -0.871 1.00 0.00 H new ATOM 0 HB3 LEU A 40 58.425 -1.776 -0.897 1.00 0.00 H new ATOM 0 HG LEU A 40 60.663 -1.455 0.105 1.00 0.00 H new ATOM 0 HD11 LEU A 40 61.943 -2.968 -1.386 1.00 0.00 H new ATOM 0 HD12 LEU A 40 60.248 -3.494 -1.249 1.00 0.00 H new ATOM 0 HD13 LEU A 40 60.798 -2.636 -2.707 1.00 0.00 H new ATOM 0 HD21 LEU A 40 62.508 -0.532 -1.273 1.00 0.00 H new ATOM 0 HD22 LEU A 40 61.361 -0.212 -2.596 1.00 0.00 H new ATOM 0 HD23 LEU A 40 61.213 0.670 -1.057 1.00 0.00 H new ATOM 616 N GLY A 41 56.691 -1.769 -2.434 1.00 0.00 N ATOM 617 CA GLY A 41 55.441 -2.513 -2.770 1.00 0.00 C ATOM 618 C GLY A 41 55.780 -3.816 -3.495 1.00 0.00 C ATOM 619 O GLY A 41 55.090 -4.226 -4.406 1.00 0.00 O ATOM 0 H GLY A 41 56.674 -1.284 -1.537 1.00 0.00 H new ATOM 0 HA2 GLY A 41 54.882 -2.730 -1.859 1.00 0.00 H new ATOM 0 HA3 GLY A 41 54.799 -1.895 -3.398 1.00 0.00 H new ATOM 623 N GLU A 42 56.836 -4.470 -3.102 1.00 0.00 N ATOM 624 CA GLU A 42 57.215 -5.743 -3.773 1.00 0.00 C ATOM 625 C GLU A 42 56.503 -6.915 -3.093 1.00 0.00 C ATOM 626 O GLU A 42 56.985 -8.031 -3.089 1.00 0.00 O ATOM 627 CB GLU A 42 58.729 -5.940 -3.682 1.00 0.00 C ATOM 628 CG GLU A 42 59.124 -6.219 -2.231 1.00 0.00 C ATOM 629 CD GLU A 42 60.638 -6.064 -2.076 1.00 0.00 C ATOM 630 OE1 GLU A 42 61.274 -5.667 -3.039 1.00 0.00 O ATOM 631 OE2 GLU A 42 61.135 -6.344 -0.998 1.00 0.00 O ATOM 0 H GLU A 42 57.453 -4.178 -2.345 1.00 0.00 H new ATOM 0 HA GLU A 42 56.919 -5.700 -4.821 1.00 0.00 H new ATOM 0 HB2 GLU A 42 59.037 -6.769 -4.319 1.00 0.00 H new ATOM 0 HB3 GLU A 42 59.244 -5.051 -4.045 1.00 0.00 H new ATOM 0 HG2 GLU A 42 58.607 -5.530 -1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 42 58.820 -7.227 -1.947 1.00 0.00 H new ATOM 638 N LYS A 43 55.358 -6.671 -2.519 1.00 0.00 N ATOM 639 CA LYS A 43 54.615 -7.769 -1.843 1.00 0.00 C ATOM 640 C LYS A 43 53.588 -8.356 -2.813 1.00 0.00 C ATOM 641 O LYS A 43 53.135 -9.462 -2.569 1.00 0.00 O ATOM 642 CB LYS A 43 53.898 -7.212 -0.611 1.00 0.00 C ATOM 643 CG LYS A 43 54.907 -7.027 0.525 1.00 0.00 C ATOM 644 CD LYS A 43 54.249 -6.262 1.676 1.00 0.00 C ATOM 645 CE LYS A 43 54.655 -6.897 3.007 1.00 0.00 C ATOM 646 NZ LYS A 43 55.931 -6.289 3.480 1.00 0.00 N ATOM 647 OXT LYS A 43 53.275 -7.691 -3.787 1.00 0.00 O ATOM 0 H LYS A 43 54.905 -5.758 -2.489 1.00 0.00 H new ATOM 0 HA LYS A 43 55.311 -8.549 -1.535 1.00 0.00 H new ATOM 0 HB2 LYS A 43 53.426 -6.259 -0.851 1.00 0.00 H new ATOM 0 HB3 LYS A 43 53.105 -7.892 -0.300 1.00 0.00 H new ATOM 0 HG2 LYS A 43 55.259 -7.998 0.874 1.00 0.00 H new ATOM 0 HG3 LYS A 43 55.780 -6.482 0.165 1.00 0.00 H new ATOM 0 HD2 LYS A 43 54.553 -5.216 1.652 1.00 0.00 H new ATOM 0 HD3 LYS A 43 53.165 -6.282 1.567 1.00 0.00 H new ATOM 0 HE2 LYS A 43 53.871 -6.745 3.749 1.00 0.00 H new ATOM 0 HE3 LYS A 43 54.776 -7.974 2.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 56.207 -6.721 4.385 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 56.677 -6.456 2.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 55.800 -5.266 3.610 1.00 0.00 H new TER 661 LYS A 43