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= -0.0023 USER MOD Single : A 11 THR OG1 : rot 180:sc= 0 USER MOD Single : A 15 SER OG : rot -172:sc= -1.59! USER MOD Single : A 17 GLN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 68:sc= 0.231 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 26.840 -9.251 17.000 1.00 0.00 C HETATM 2 O ACE A 1 27.212 -10.365 16.693 1.00 0.00 O HETATM 3 CH3 ACE A 1 27.382 -8.549 18.247 1.00 0.00 C HETATM 0 H1 ACE A 1 27.874 -7.621 17.957 1.00 0.00 H new HETATM 0 H2 ACE A 1 26.559 -8.327 18.926 1.00 0.00 H new HETATM 0 H3 ACE A 1 28.100 -9.199 18.747 1.00 0.00 H new ATOM 7 N ARG A 2 25.963 -8.607 16.278 1.00 0.00 N ATOM 8 CA ARG A 2 25.400 -9.241 15.051 1.00 0.00 C ATOM 9 C ARG A 2 24.947 -8.153 14.074 1.00 0.00 C ATOM 10 O ARG A 2 23.770 -7.968 13.841 1.00 0.00 O ATOM 11 CB ARG A 2 24.203 -10.115 15.432 1.00 0.00 C ATOM 12 CG ARG A 2 24.421 -11.536 14.908 1.00 0.00 C ATOM 13 CD ARG A 2 23.277 -12.437 15.377 1.00 0.00 C ATOM 14 NE ARG A 2 22.308 -12.631 14.261 1.00 0.00 N ATOM 15 CZ ARG A 2 21.221 -13.328 14.453 1.00 0.00 C ATOM 16 NH1 ARG A 2 20.626 -13.303 15.615 1.00 0.00 N ATOM 17 NH2 ARG A 2 20.728 -14.050 13.484 1.00 0.00 N ATOM 0 H ARG A 2 25.613 -7.671 16.484 1.00 0.00 H new ATOM 0 HA ARG A 2 26.165 -9.857 14.578 1.00 0.00 H new ATOM 0 HB2 ARG A 2 24.080 -10.130 16.515 1.00 0.00 H new ATOM 0 HB3 ARG A 2 23.287 -9.698 15.013 1.00 0.00 H new ATOM 0 HG2 ARG A 2 24.469 -11.529 13.819 1.00 0.00 H new ATOM 0 HG3 ARG A 2 25.374 -11.925 15.267 1.00 0.00 H new ATOM 0 HD2 ARG A 2 23.669 -13.400 15.704 1.00 0.00 H new ATOM 0 HD3 ARG A 2 22.775 -11.989 16.235 1.00 0.00 H new ATOM 0 HE ARG A 2 22.494 -12.219 13.347 1.00 0.00 H new ATOM 0 HH11 ARG A 2 21.010 -12.739 16.373 1.00 0.00 H new ATOM 0 HH12 ARG A 2 19.777 -13.848 15.765 1.00 0.00 H new ATOM 0 HH21 ARG A 2 21.192 -14.070 12.576 1.00 0.00 H new ATOM 0 HH22 ARG A 2 19.879 -14.594 13.635 1.00 0.00 H new ATOM 31 N TYR A 3 25.872 -7.432 13.501 1.00 0.00 N ATOM 32 CA TYR A 3 25.491 -6.358 12.540 1.00 0.00 C ATOM 33 C TYR A 3 24.591 -5.340 13.244 1.00 0.00 C ATOM 34 O TYR A 3 23.382 -5.413 13.155 1.00 0.00 O ATOM 35 CB TYR A 3 24.738 -6.973 11.361 1.00 0.00 C ATOM 36 CG TYR A 3 25.657 -7.905 10.609 1.00 0.00 C ATOM 37 CD1 TYR A 3 25.874 -9.205 11.081 1.00 0.00 C ATOM 38 CD2 TYR A 3 26.293 -7.468 9.441 1.00 0.00 C ATOM 39 CE1 TYR A 3 26.728 -10.069 10.383 1.00 0.00 C ATOM 40 CE2 TYR A 3 27.146 -8.331 8.744 1.00 0.00 C ATOM 41 CZ TYR A 3 27.364 -9.632 9.215 1.00 0.00 C ATOM 42 OH TYR A 3 28.206 -10.483 8.528 1.00 0.00 O ATOM 0 H TYR A 3 26.874 -7.540 13.657 1.00 0.00 H new ATOM 0 HA TYR A 3 26.390 -5.859 12.177 1.00 0.00 H new ATOM 0 HB2 TYR A 3 23.863 -7.517 11.718 1.00 0.00 H new ATOM 0 HB3 TYR A 3 24.376 -6.188 10.697 1.00 0.00 H new ATOM 0 HD1 TYR A 3 25.384 -9.542 11.982 1.00 0.00 H new ATOM 0 HD2 TYR A 3 26.125 -6.465 9.078 1.00 0.00 H new ATOM 0 HE1 TYR A 3 26.896 -11.072 10.746 1.00 0.00 H new ATOM 0 HE2 TYR A 3 27.636 -7.994 7.843 1.00 0.00 H new ATOM 0 HH TYR A 3 28.564 -10.023 7.740 1.00 0.00 H new ATOM 52 N PRO A 4 25.219 -4.422 13.926 1.00 0.00 N ATOM 53 CA PRO A 4 24.582 -3.313 14.709 1.00 0.00 C ATOM 54 C PRO A 4 24.330 -2.095 13.814 1.00 0.00 C ATOM 55 O PRO A 4 23.218 -1.840 13.396 1.00 0.00 O ATOM 56 CB PRO A 4 25.582 -2.966 15.800 1.00 0.00 C ATOM 57 CG PRO A 4 26.944 -3.399 15.292 1.00 0.00 C ATOM 58 CD PRO A 4 26.708 -4.289 14.070 1.00 0.00 C ATOM 0 HA PRO A 4 23.616 -3.611 15.118 1.00 0.00 H new ATOM 0 HB2 PRO A 4 25.569 -1.897 16.012 1.00 0.00 H new ATOM 0 HB3 PRO A 4 25.334 -3.478 16.730 1.00 0.00 H new ATOM 0 HG2 PRO A 4 27.549 -2.532 15.026 1.00 0.00 H new ATOM 0 HG3 PRO A 4 27.488 -3.942 16.065 1.00 0.00 H new ATOM 0 HD2 PRO A 4 27.147 -3.846 13.176 1.00 0.00 H new ATOM 0 HD3 PRO A 4 27.174 -5.265 14.204 1.00 0.00 H new ATOM 66 N TYR A 5 25.351 -1.335 13.528 1.00 0.00 N ATOM 67 CA TYR A 5 25.169 -0.126 12.674 1.00 0.00 C ATOM 68 C TYR A 5 25.138 -0.524 11.195 1.00 0.00 C ATOM 69 O TYR A 5 24.424 0.059 10.404 1.00 0.00 O ATOM 70 CB TYR A 5 26.327 0.843 12.916 1.00 0.00 C ATOM 71 CG TYR A 5 26.437 1.136 14.394 1.00 0.00 C ATOM 72 CD1 TYR A 5 25.577 2.067 14.990 1.00 0.00 C ATOM 73 CD2 TYR A 5 27.397 0.475 15.169 1.00 0.00 C ATOM 74 CE1 TYR A 5 25.677 2.336 16.360 1.00 0.00 C ATOM 75 CE2 TYR A 5 27.498 0.745 16.539 1.00 0.00 C ATOM 76 CZ TYR A 5 26.638 1.675 17.135 1.00 0.00 C ATOM 77 OH TYR A 5 26.736 1.940 18.485 1.00 0.00 O ATOM 0 H TYR A 5 26.305 -1.499 13.849 1.00 0.00 H new ATOM 0 HA TYR A 5 24.225 0.354 12.932 1.00 0.00 H new ATOM 0 HB2 TYR A 5 27.259 0.412 12.549 1.00 0.00 H new ATOM 0 HB3 TYR A 5 26.164 1.767 12.362 1.00 0.00 H new ATOM 0 HD1 TYR A 5 24.836 2.578 14.392 1.00 0.00 H new ATOM 0 HD2 TYR A 5 28.060 -0.243 14.710 1.00 0.00 H new ATOM 0 HE1 TYR A 5 25.013 3.053 16.819 1.00 0.00 H new ATOM 0 HE2 TYR A 5 28.240 0.236 17.136 1.00 0.00 H new ATOM 0 HH TYR A 5 27.452 1.396 18.874 1.00 0.00 H new ATOM 87 N TYR A 6 25.907 -1.506 10.813 1.00 0.00 N ATOM 88 CA TYR A 6 25.922 -1.933 9.383 1.00 0.00 C ATOM 89 C TYR A 6 24.492 -1.980 8.843 1.00 0.00 C ATOM 90 O TYR A 6 24.238 -1.665 7.698 1.00 0.00 O ATOM 91 CB TYR A 6 26.540 -3.325 9.276 1.00 0.00 C ATOM 92 CG TYR A 6 27.851 -3.241 8.534 1.00 0.00 C ATOM 93 CD1 TYR A 6 27.901 -2.647 7.267 1.00 0.00 C ATOM 94 CD2 TYR A 6 29.016 -3.758 9.111 1.00 0.00 C ATOM 95 CE1 TYR A 6 29.117 -2.572 6.578 1.00 0.00 C ATOM 96 CE2 TYR A 6 30.233 -3.682 8.422 1.00 0.00 C ATOM 97 CZ TYR A 6 30.283 -3.089 7.155 1.00 0.00 C ATOM 98 OH TYR A 6 31.481 -3.016 6.474 1.00 0.00 O ATOM 0 H TYR A 6 26.527 -2.032 11.429 1.00 0.00 H new ATOM 0 HA TYR A 6 26.508 -1.221 8.802 1.00 0.00 H new ATOM 0 HB2 TYR A 6 26.700 -3.740 10.271 1.00 0.00 H new ATOM 0 HB3 TYR A 6 25.858 -3.998 8.755 1.00 0.00 H new ATOM 0 HD1 TYR A 6 27.002 -2.247 6.822 1.00 0.00 H new ATOM 0 HD2 TYR A 6 28.977 -4.216 10.088 1.00 0.00 H new ATOM 0 HE1 TYR A 6 29.156 -2.115 5.600 1.00 0.00 H new ATOM 0 HE2 TYR A 6 31.132 -4.081 8.868 1.00 0.00 H new ATOM 0 HH TYR A 6 32.191 -3.420 7.016 1.00 0.00 H new ATOM 108 N LEU A 7 23.560 -2.386 9.656 1.00 0.00 N ATOM 109 CA LEU A 7 22.144 -2.468 9.191 1.00 0.00 C ATOM 110 C LEU A 7 21.661 -1.088 8.727 1.00 0.00 C ATOM 111 O LEU A 7 21.087 -0.948 7.665 1.00 0.00 O ATOM 112 CB LEU A 7 21.261 -2.953 10.341 1.00 0.00 C ATOM 113 CG LEU A 7 20.031 -3.663 9.775 1.00 0.00 C ATOM 114 CD1 LEU A 7 19.930 -5.065 10.380 1.00 0.00 C ATOM 115 CD2 LEU A 7 18.775 -2.864 10.130 1.00 0.00 C ATOM 0 H LEU A 7 23.715 -2.666 10.625 1.00 0.00 H new ATOM 0 HA LEU A 7 22.082 -3.167 8.357 1.00 0.00 H new ATOM 0 HB2 LEU A 7 21.822 -3.632 10.983 1.00 0.00 H new ATOM 0 HB3 LEU A 7 20.955 -2.109 10.959 1.00 0.00 H new ATOM 0 HG LEU A 7 20.120 -3.739 8.691 1.00 0.00 H new ATOM 0 HD11 LEU A 7 19.053 -5.573 9.978 1.00 0.00 H new ATOM 0 HD12 LEU A 7 20.825 -5.634 10.131 1.00 0.00 H new ATOM 0 HD13 LEU A 7 19.839 -4.988 11.463 1.00 0.00 H new ATOM 0 HD21 LEU A 7 17.897 -3.369 9.727 1.00 0.00 H new ATOM 0 HD22 LEU A 7 18.685 -2.789 11.214 1.00 0.00 H new ATOM 0 HD23 LEU A 7 18.847 -1.864 9.702 1.00 0.00 H new ATOM 127 N SER A 8 21.878 -0.071 9.517 1.00 0.00 N ATOM 128 CA SER A 8 21.418 1.295 9.124 1.00 0.00 C ATOM 129 C SER A 8 22.105 1.731 7.827 1.00 0.00 C ATOM 130 O SER A 8 21.735 2.716 7.219 1.00 0.00 O ATOM 131 CB SER A 8 21.764 2.286 10.237 1.00 0.00 C ATOM 132 OG SER A 8 21.510 3.609 9.783 1.00 0.00 O ATOM 0 H SER A 8 22.354 -0.126 10.418 1.00 0.00 H new ATOM 0 HA SER A 8 20.340 1.275 8.967 1.00 0.00 H new ATOM 0 HB2 SER A 8 21.170 2.074 11.126 1.00 0.00 H new ATOM 0 HB3 SER A 8 22.811 2.181 10.521 1.00 0.00 H new ATOM 0 HG SER A 8 21.729 4.247 10.494 1.00 0.00 H new ATOM 138 N ASP A 9 23.107 1.014 7.403 1.00 0.00 N ATOM 139 CA ASP A 9 23.820 1.394 6.153 1.00 0.00 C ATOM 140 C ASP A 9 23.090 0.821 4.933 1.00 0.00 C ATOM 141 O ASP A 9 23.070 1.419 3.875 1.00 0.00 O ATOM 142 CB ASP A 9 25.242 0.834 6.196 1.00 0.00 C ATOM 143 CG ASP A 9 26.174 1.850 6.858 1.00 0.00 C ATOM 144 OD1 ASP A 9 26.264 2.958 6.354 1.00 0.00 O ATOM 145 OD2 ASP A 9 26.783 1.504 7.857 1.00 0.00 O ATOM 0 H ASP A 9 23.464 0.180 7.869 1.00 0.00 H new ATOM 0 HA ASP A 9 23.848 2.481 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 9 25.258 -0.104 6.751 1.00 0.00 H new ATOM 0 HB3 ASP A 9 25.587 0.613 5.186 1.00 0.00 H new ATOM 150 N ILE A 10 22.506 -0.339 5.065 1.00 0.00 N ATOM 151 CA ILE A 10 21.796 -0.954 3.904 1.00 0.00 C ATOM 152 C ILE A 10 20.593 -0.097 3.496 1.00 0.00 C ATOM 153 O ILE A 10 20.311 0.069 2.326 1.00 0.00 O ATOM 154 CB ILE A 10 21.311 -2.355 4.282 1.00 0.00 C ATOM 155 CG1 ILE A 10 22.510 -3.218 4.682 1.00 0.00 C ATOM 156 CG2 ILE A 10 20.604 -2.992 3.083 1.00 0.00 C ATOM 157 CD1 ILE A 10 23.451 -3.369 3.485 1.00 0.00 C ATOM 0 H ILE A 10 22.489 -0.888 5.925 1.00 0.00 H new ATOM 0 HA ILE A 10 22.489 -1.015 3.065 1.00 0.00 H new ATOM 0 HB ILE A 10 20.616 -2.285 5.119 1.00 0.00 H new ATOM 0 HG12 ILE A 10 23.038 -2.760 5.518 1.00 0.00 H new ATOM 0 HG13 ILE A 10 22.171 -4.198 5.017 1.00 0.00 H new ATOM 0 HG21 ILE A 10 20.259 -3.990 3.352 1.00 0.00 H new ATOM 0 HG22 ILE A 10 19.751 -2.378 2.795 1.00 0.00 H new ATOM 0 HG23 ILE A 10 21.299 -3.062 2.246 1.00 0.00 H new ATOM 0 HD11 ILE A 10 24.305 -3.984 3.769 1.00 0.00 H new ATOM 0 HD12 ILE A 10 22.919 -3.846 2.662 1.00 0.00 H new ATOM 0 HD13 ILE A 10 23.800 -2.386 3.170 1.00 0.00 H new ATOM 169 N THR A 11 19.876 0.439 4.444 1.00 0.00 N ATOM 170 CA THR A 11 18.688 1.273 4.095 1.00 0.00 C ATOM 171 C THR A 11 19.128 2.473 3.254 1.00 0.00 C ATOM 172 O THR A 11 18.553 2.760 2.223 1.00 0.00 O ATOM 173 CB THR A 11 18.009 1.755 5.380 1.00 0.00 C ATOM 174 OG1 THR A 11 16.765 2.361 5.057 1.00 0.00 O ATOM 175 CG2 THR A 11 18.907 2.770 6.087 1.00 0.00 C ATOM 0 H THR A 11 20.059 0.337 5.442 1.00 0.00 H new ATOM 0 HA THR A 11 17.982 0.677 3.517 1.00 0.00 H new ATOM 0 HB THR A 11 17.839 0.906 6.041 1.00 0.00 H new ATOM 0 HG1 THR A 11 16.328 2.669 5.878 1.00 0.00 H new ATOM 0 HG21 THR A 11 18.421 3.111 7.001 1.00 0.00 H new ATOM 0 HG22 THR A 11 19.860 2.302 6.335 1.00 0.00 H new ATOM 0 HG23 THR A 11 19.082 3.622 5.429 1.00 0.00 H new ATOM 183 N ASP A 12 20.145 3.173 3.673 1.00 0.00 N ATOM 184 CA ASP A 12 20.611 4.340 2.877 1.00 0.00 C ATOM 185 C ASP A 12 21.499 3.842 1.735 1.00 0.00 C ATOM 186 O ASP A 12 22.008 4.614 0.947 1.00 0.00 O ATOM 187 CB ASP A 12 21.410 5.291 3.770 1.00 0.00 C ATOM 188 CG ASP A 12 22.757 4.655 4.113 1.00 0.00 C ATOM 189 OD1 ASP A 12 22.751 3.597 4.719 1.00 0.00 O ATOM 190 OD2 ASP A 12 23.771 5.236 3.763 1.00 0.00 O ATOM 0 H ASP A 12 20.671 2.988 4.527 1.00 0.00 H new ATOM 0 HA ASP A 12 19.751 4.872 2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 12 21.564 6.242 3.261 1.00 0.00 H new ATOM 0 HB3 ASP A 12 20.853 5.504 4.683 1.00 0.00 H new ATOM 195 N ALA A 13 21.682 2.552 1.638 1.00 0.00 N ATOM 196 CA ALA A 13 22.527 1.995 0.551 1.00 0.00 C ATOM 197 C ALA A 13 21.624 1.502 -0.576 1.00 0.00 C ATOM 198 O ALA A 13 21.880 0.490 -1.196 1.00 0.00 O ATOM 199 CB ALA A 13 23.356 0.827 1.090 1.00 0.00 C ATOM 0 H ALA A 13 21.279 1.860 2.270 1.00 0.00 H new ATOM 0 HA ALA A 13 23.199 2.767 0.176 1.00 0.00 H new ATOM 0 HB1 ALA A 13 23.975 0.420 0.290 1.00 0.00 H new ATOM 0 HB2 ALA A 13 23.995 1.178 1.901 1.00 0.00 H new ATOM 0 HB3 ALA A 13 22.690 0.050 1.464 1.00 0.00 H new ATOM 205 N PHE A 14 20.562 2.212 -0.841 1.00 0.00 N ATOM 206 CA PHE A 14 19.633 1.789 -1.925 1.00 0.00 C ATOM 207 C PHE A 14 20.166 2.262 -3.288 1.00 0.00 C ATOM 208 O PHE A 14 19.449 2.300 -4.268 1.00 0.00 O ATOM 209 CB PHE A 14 18.238 2.376 -1.649 1.00 0.00 C ATOM 210 CG PHE A 14 18.108 3.760 -2.249 1.00 0.00 C ATOM 211 CD1 PHE A 14 18.646 4.868 -1.584 1.00 0.00 C ATOM 212 CD2 PHE A 14 17.442 3.931 -3.470 1.00 0.00 C ATOM 213 CE1 PHE A 14 18.520 6.147 -2.140 1.00 0.00 C ATOM 214 CE2 PHE A 14 17.315 5.210 -4.025 1.00 0.00 C ATOM 215 CZ PHE A 14 17.854 6.317 -3.360 1.00 0.00 C ATOM 0 H PHE A 14 20.298 3.068 -0.353 1.00 0.00 H new ATOM 0 HA PHE A 14 19.562 0.702 -1.949 1.00 0.00 H new ATOM 0 HB2 PHE A 14 17.474 1.721 -2.067 1.00 0.00 H new ATOM 0 HB3 PHE A 14 18.065 2.423 -0.574 1.00 0.00 H new ATOM 0 HD1 PHE A 14 19.158 4.736 -0.642 1.00 0.00 H new ATOM 0 HD2 PHE A 14 17.027 3.076 -3.983 1.00 0.00 H new ATOM 0 HE1 PHE A 14 18.936 7.002 -1.628 1.00 0.00 H new ATOM 0 HE2 PHE A 14 16.801 5.342 -4.966 1.00 0.00 H new ATOM 0 HZ PHE A 14 17.756 7.304 -3.788 1.00 0.00 H new ATOM 225 N SER A 15 21.424 2.611 -3.355 1.00 0.00 N ATOM 226 CA SER A 15 22.019 3.068 -4.637 1.00 0.00 C ATOM 227 C SER A 15 23.127 2.093 -5.037 1.00 0.00 C ATOM 228 O SER A 15 24.272 2.274 -4.677 1.00 0.00 O ATOM 229 CB SER A 15 22.607 4.467 -4.456 1.00 0.00 C ATOM 230 OG SER A 15 22.088 5.329 -5.460 1.00 0.00 O ATOM 0 H SER A 15 22.069 2.597 -2.565 1.00 0.00 H new ATOM 0 HA SER A 15 21.255 3.100 -5.413 1.00 0.00 H new ATOM 0 HB2 SER A 15 22.360 4.852 -3.467 1.00 0.00 H new ATOM 0 HB3 SER A 15 23.694 4.428 -4.521 1.00 0.00 H new ATOM 0 HG SER A 15 22.555 6.190 -5.426 1.00 0.00 H new ATOM 236 N PRO A 16 22.741 1.082 -5.766 1.00 0.00 N ATOM 237 CA PRO A 16 23.621 -0.019 -6.283 1.00 0.00 C ATOM 238 C PRO A 16 24.332 0.439 -7.554 1.00 0.00 C ATOM 239 O PRO A 16 25.531 0.298 -7.695 1.00 0.00 O ATOM 240 CB PRO A 16 22.689 -1.183 -6.585 1.00 0.00 C ATOM 241 CG PRO A 16 21.319 -0.587 -6.823 1.00 0.00 C ATOM 242 CD PRO A 16 21.336 0.827 -6.239 1.00 0.00 C ATOM 0 HA PRO A 16 24.390 -0.300 -5.563 1.00 0.00 H new ATOM 0 HB2 PRO A 16 23.029 -1.735 -7.461 1.00 0.00 H new ATOM 0 HB3 PRO A 16 22.666 -1.887 -5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 16 21.090 -0.561 -7.888 1.00 0.00 H new ATOM 0 HG3 PRO A 16 20.548 -1.192 -6.346 1.00 0.00 H new ATOM 0 HD2 PRO A 16 21.042 1.560 -6.990 1.00 0.00 H new ATOM 0 HD3 PRO A 16 20.628 0.914 -5.415 1.00 0.00 H new ATOM 250 N GLN A 17 23.602 0.996 -8.478 1.00 0.00 N ATOM 251 CA GLN A 17 24.235 1.473 -9.736 1.00 0.00 C ATOM 252 C GLN A 17 25.025 2.747 -9.441 1.00 0.00 C ATOM 253 O GLN A 17 25.981 3.073 -10.117 1.00 0.00 O ATOM 254 CB GLN A 17 23.149 1.774 -10.771 1.00 0.00 C ATOM 255 CG GLN A 17 23.801 2.215 -12.081 1.00 0.00 C ATOM 256 CD GLN A 17 23.472 1.202 -13.179 1.00 0.00 C ATOM 257 OE1 GLN A 17 22.896 1.551 -14.190 1.00 0.00 O ATOM 258 NE2 GLN A 17 23.814 -0.047 -13.021 1.00 0.00 N ATOM 0 H GLN A 17 22.594 1.141 -8.416 1.00 0.00 H new ATOM 0 HA GLN A 17 24.903 0.706 -10.128 1.00 0.00 H new ATOM 0 HB2 GLN A 17 22.535 0.889 -10.938 1.00 0.00 H new ATOM 0 HB3 GLN A 17 22.486 2.556 -10.401 1.00 0.00 H new ATOM 0 HG2 GLN A 17 23.441 3.204 -12.364 1.00 0.00 H new ATOM 0 HG3 GLN A 17 24.881 2.293 -11.954 1.00 0.00 H new ATOM 0 HE21 GLN A 17 24.298 -0.340 -12.172 1.00 0.00 H new ATOM 0 HE22 GLN A 17 23.598 -0.731 -13.746 1.00 0.00 H new ATOM 267 N VAL A 18 24.631 3.466 -8.427 1.00 0.00 N ATOM 268 CA VAL A 18 25.349 4.720 -8.074 1.00 0.00 C ATOM 269 C VAL A 18 26.503 4.399 -7.125 1.00 0.00 C ATOM 270 O VAL A 18 27.487 5.104 -7.079 1.00 0.00 O ATOM 271 CB VAL A 18 24.378 5.678 -7.395 1.00 0.00 C ATOM 272 CG1 VAL A 18 25.145 6.885 -6.853 1.00 0.00 C ATOM 273 CG2 VAL A 18 23.336 6.150 -8.412 1.00 0.00 C ATOM 0 H VAL A 18 23.839 3.237 -7.826 1.00 0.00 H new ATOM 0 HA VAL A 18 25.746 5.182 -8.978 1.00 0.00 H new ATOM 0 HB VAL A 18 23.879 5.167 -6.572 1.00 0.00 H new ATOM 0 HG11 VAL A 18 24.450 7.570 -6.367 1.00 0.00 H new ATOM 0 HG12 VAL A 18 25.888 6.549 -6.130 1.00 0.00 H new ATOM 0 HG13 VAL A 18 25.645 7.398 -7.675 1.00 0.00 H new ATOM 0 HG21 VAL A 18 22.640 6.836 -7.928 1.00 0.00 H new ATOM 0 HG22 VAL A 18 23.836 6.661 -9.235 1.00 0.00 H new ATOM 0 HG23 VAL A 18 22.789 5.290 -8.798 1.00 0.00 H new ATOM 283 N LEU A 19 26.399 3.338 -6.375 1.00 0.00 N ATOM 284 CA LEU A 19 27.511 2.978 -5.449 1.00 0.00 C ATOM 285 C LEU A 19 28.711 2.549 -6.287 1.00 0.00 C ATOM 286 O LEU A 19 29.799 3.076 -6.160 1.00 0.00 O ATOM 287 CB LEU A 19 27.084 1.817 -4.548 1.00 0.00 C ATOM 288 CG LEU A 19 26.898 2.317 -3.116 1.00 0.00 C ATOM 289 CD1 LEU A 19 25.977 1.360 -2.358 1.00 0.00 C ATOM 290 CD2 LEU A 19 28.257 2.373 -2.417 1.00 0.00 C ATOM 0 H LEU A 19 25.598 2.707 -6.362 1.00 0.00 H new ATOM 0 HA LEU A 19 27.766 3.835 -4.825 1.00 0.00 H new ATOM 0 HB2 LEU A 19 26.154 1.382 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 19 27.836 1.029 -4.573 1.00 0.00 H new ATOM 0 HG LEU A 19 26.455 3.313 -3.133 1.00 0.00 H new ATOM 0 HD11 LEU A 19 25.844 1.716 -1.336 1.00 0.00 H new ATOM 0 HD12 LEU A 19 25.008 1.316 -2.856 1.00 0.00 H new ATOM 0 HD13 LEU A 19 26.421 0.365 -2.340 1.00 0.00 H new ATOM 0 HD21 LEU A 19 28.126 2.730 -1.395 1.00 0.00 H new ATOM 0 HD22 LEU A 19 28.699 1.377 -2.400 1.00 0.00 H new ATOM 0 HD23 LEU A 19 28.916 3.053 -2.957 1.00 0.00 H new ATOM 302 N ALA A 20 28.510 1.602 -7.158 1.00 0.00 N ATOM 303 CA ALA A 20 29.621 1.135 -8.029 1.00 0.00 C ATOM 304 C ALA A 20 30.190 2.332 -8.780 1.00 0.00 C ATOM 305 O ALA A 20 31.380 2.552 -8.814 1.00 0.00 O ATOM 306 CB ALA A 20 29.074 0.130 -9.038 1.00 0.00 C ATOM 0 H ALA A 20 27.618 1.129 -7.305 1.00 0.00 H new ATOM 0 HA ALA A 20 30.398 0.667 -7.425 1.00 0.00 H new ATOM 0 HB1 ALA A 20 29.883 -0.217 -9.681 1.00 0.00 H new ATOM 0 HB2 ALA A 20 28.642 -0.719 -8.508 1.00 0.00 H new ATOM 0 HB3 ALA A 20 28.306 0.607 -9.647 1.00 0.00 H new ATOM 312 N ALA A 21 29.332 3.099 -9.383 1.00 0.00 N ATOM 313 CA ALA A 21 29.783 4.297 -10.146 1.00 0.00 C ATOM 314 C ALA A 21 30.716 5.147 -9.281 1.00 0.00 C ATOM 315 O ALA A 21 31.824 5.468 -9.661 1.00 0.00 O ATOM 316 CB ALA A 21 28.553 5.127 -10.520 1.00 0.00 C ATOM 0 H ALA A 21 28.323 2.947 -9.381 1.00 0.00 H new ATOM 0 HA ALA A 21 30.317 3.981 -11.042 1.00 0.00 H new ATOM 0 HB1 ALA A 21 28.865 6.009 -11.080 1.00 0.00 H new ATOM 0 HB2 ALA A 21 27.882 4.527 -11.134 1.00 0.00 H new ATOM 0 HB3 ALA A 21 28.034 5.438 -9.613 1.00 0.00 H new ATOM 322 N VAL A 22 30.255 5.524 -8.128 1.00 0.00 N ATOM 323 CA VAL A 22 31.075 6.371 -7.213 1.00 0.00 C ATOM 324 C VAL A 22 32.450 5.736 -6.985 1.00 0.00 C ATOM 325 O VAL A 22 33.458 6.414 -6.939 1.00 0.00 O ATOM 326 CB VAL A 22 30.349 6.505 -5.871 1.00 0.00 C ATOM 327 CG1 VAL A 22 31.270 7.185 -4.854 1.00 0.00 C ATOM 328 CG2 VAL A 22 29.085 7.349 -6.057 1.00 0.00 C ATOM 0 H VAL A 22 29.331 5.280 -7.771 1.00 0.00 H new ATOM 0 HA VAL A 22 31.213 7.353 -7.665 1.00 0.00 H new ATOM 0 HB VAL A 22 30.076 5.514 -5.507 1.00 0.00 H new ATOM 0 HG11 VAL A 22 30.752 7.279 -3.900 1.00 0.00 H new ATOM 0 HG12 VAL A 22 32.170 6.585 -4.720 1.00 0.00 H new ATOM 0 HG13 VAL A 22 31.545 8.175 -5.217 1.00 0.00 H new ATOM 0 HG21 VAL A 22 28.568 7.445 -5.102 1.00 0.00 H new ATOM 0 HG22 VAL A 22 29.359 8.339 -6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 22 28.427 6.865 -6.779 1.00 0.00 H new ATOM 338 N ILE A 23 32.500 4.444 -6.826 1.00 0.00 N ATOM 339 CA ILE A 23 33.808 3.771 -6.583 1.00 0.00 C ATOM 340 C ILE A 23 34.583 3.636 -7.889 1.00 0.00 C ATOM 341 O ILE A 23 35.781 3.463 -7.890 1.00 0.00 O ATOM 342 CB ILE A 23 33.549 2.383 -6.009 1.00 0.00 C ATOM 343 CG1 ILE A 23 32.799 2.511 -4.681 1.00 0.00 C ATOM 344 CG2 ILE A 23 34.880 1.665 -5.778 1.00 0.00 C ATOM 345 CD1 ILE A 23 31.595 1.568 -4.679 1.00 0.00 C ATOM 0 H ILE A 23 31.691 3.823 -6.854 1.00 0.00 H new ATOM 0 HA ILE A 23 34.394 4.367 -5.884 1.00 0.00 H new ATOM 0 HB ILE A 23 32.947 1.808 -6.712 1.00 0.00 H new ATOM 0 HG12 ILE A 23 33.464 2.270 -3.852 1.00 0.00 H new ATOM 0 HG13 ILE A 23 32.468 3.540 -4.536 1.00 0.00 H new ATOM 0 HG21 ILE A 23 34.692 0.673 -5.368 1.00 0.00 H new ATOM 0 HG22 ILE A 23 35.412 1.571 -6.725 1.00 0.00 H new ATOM 0 HG23 ILE A 23 35.486 2.239 -5.077 1.00 0.00 H new ATOM 0 HD11 ILE A 23 31.062 1.660 -3.733 1.00 0.00 H new ATOM 0 HD12 ILE A 23 30.926 1.830 -5.499 1.00 0.00 H new ATOM 0 HD13 ILE A 23 31.937 0.541 -4.804 1.00 0.00 H new ATOM 357 N PHE A 24 33.913 3.709 -8.997 1.00 0.00 N ATOM 358 CA PHE A 24 34.622 3.587 -10.300 1.00 0.00 C ATOM 359 C PHE A 24 35.607 4.750 -10.432 1.00 0.00 C ATOM 360 O PHE A 24 36.758 4.566 -10.776 1.00 0.00 O ATOM 361 CB PHE A 24 33.602 3.640 -11.441 1.00 0.00 C ATOM 362 CG PHE A 24 33.708 2.391 -12.283 1.00 0.00 C ATOM 363 CD1 PHE A 24 33.006 1.237 -11.915 1.00 0.00 C ATOM 364 CD2 PHE A 24 34.504 2.388 -13.435 1.00 0.00 C ATOM 365 CE1 PHE A 24 33.101 0.080 -12.698 1.00 0.00 C ATOM 366 CE2 PHE A 24 34.598 1.231 -14.218 1.00 0.00 C ATOM 367 CZ PHE A 24 33.896 0.077 -13.849 1.00 0.00 C ATOM 0 H PHE A 24 32.905 3.848 -9.061 1.00 0.00 H new ATOM 0 HA PHE A 24 35.160 2.640 -10.348 1.00 0.00 H new ATOM 0 HB2 PHE A 24 32.594 3.731 -11.036 1.00 0.00 H new ATOM 0 HB3 PHE A 24 33.779 4.521 -12.058 1.00 0.00 H new ATOM 0 HD1 PHE A 24 32.391 1.239 -11.027 1.00 0.00 H new ATOM 0 HD2 PHE A 24 35.045 3.278 -13.720 1.00 0.00 H new ATOM 0 HE1 PHE A 24 32.560 -0.810 -12.413 1.00 0.00 H new ATOM 0 HE2 PHE A 24 35.212 1.229 -15.107 1.00 0.00 H new ATOM 0 HZ PHE A 24 33.968 -0.815 -14.453 1.00 0.00 H new ATOM 377 N ILE A 25 35.167 5.946 -10.147 1.00 0.00 N ATOM 378 CA ILE A 25 36.082 7.117 -10.241 1.00 0.00 C ATOM 379 C ILE A 25 37.073 7.066 -9.079 1.00 0.00 C ATOM 380 O ILE A 25 38.220 7.437 -9.220 1.00 0.00 O ATOM 381 CB ILE A 25 35.275 8.416 -10.165 1.00 0.00 C ATOM 382 CG1 ILE A 25 34.339 8.512 -11.374 1.00 0.00 C ATOM 383 CG2 ILE A 25 36.231 9.611 -10.168 1.00 0.00 C ATOM 384 CD1 ILE A 25 32.922 8.109 -10.959 1.00 0.00 C ATOM 0 H ILE A 25 34.214 6.161 -9.854 1.00 0.00 H new ATOM 0 HA ILE A 25 36.618 7.086 -11.190 1.00 0.00 H new ATOM 0 HB ILE A 25 34.685 8.421 -9.248 1.00 0.00 H new ATOM 0 HG12 ILE A 25 34.339 9.529 -11.767 1.00 0.00 H new ATOM 0 HG13 ILE A 25 34.693 7.862 -12.174 1.00 0.00 H new ATOM 0 HG21 ILE A 25 35.657 10.536 -10.114 1.00 0.00 H new ATOM 0 HG22 ILE A 25 36.897 9.546 -9.308 1.00 0.00 H new ATOM 0 HG23 ILE A 25 36.821 9.603 -11.085 1.00 0.00 H new ATOM 0 HD11 ILE A 25 32.257 8.178 -11.820 1.00 0.00 H new ATOM 0 HD12 ILE A 25 32.929 7.084 -10.587 1.00 0.00 H new ATOM 0 HD13 ILE A 25 32.569 8.777 -10.174 1.00 0.00 H new ATOM 396 N TYR A 26 36.653 6.594 -7.931 1.00 0.00 N ATOM 397 CA TYR A 26 37.602 6.515 -6.788 1.00 0.00 C ATOM 398 C TYR A 26 38.687 5.506 -7.151 1.00 0.00 C ATOM 399 O TYR A 26 39.813 5.587 -6.710 1.00 0.00 O ATOM 400 CB TYR A 26 36.863 6.055 -5.529 1.00 0.00 C ATOM 401 CG TYR A 26 36.532 7.257 -4.675 1.00 0.00 C ATOM 402 CD1 TYR A 26 35.774 8.307 -5.207 1.00 0.00 C ATOM 403 CD2 TYR A 26 36.985 7.321 -3.352 1.00 0.00 C ATOM 404 CE1 TYR A 26 35.469 9.421 -4.417 1.00 0.00 C ATOM 405 CE2 TYR A 26 36.679 8.436 -2.561 1.00 0.00 C ATOM 406 CZ TYR A 26 35.922 9.485 -3.094 1.00 0.00 C ATOM 407 OH TYR A 26 35.620 10.584 -2.314 1.00 0.00 O ATOM 0 H TYR A 26 35.706 6.265 -7.741 1.00 0.00 H new ATOM 0 HA TYR A 26 38.042 7.492 -6.590 1.00 0.00 H new ATOM 0 HB2 TYR A 26 35.950 5.527 -5.802 1.00 0.00 H new ATOM 0 HB3 TYR A 26 37.480 5.354 -4.967 1.00 0.00 H new ATOM 0 HD1 TYR A 26 35.424 8.257 -6.228 1.00 0.00 H new ATOM 0 HD2 TYR A 26 37.570 6.511 -2.941 1.00 0.00 H new ATOM 0 HE1 TYR A 26 34.884 10.231 -4.828 1.00 0.00 H new ATOM 0 HE2 TYR A 26 37.027 8.486 -1.540 1.00 0.00 H new ATOM 0 HH TYR A 26 36.009 10.469 -1.422 1.00 0.00 H new ATOM 417 N PHE A 27 38.344 4.568 -7.984 1.00 0.00 N ATOM 418 CA PHE A 27 39.325 3.546 -8.427 1.00 0.00 C ATOM 419 C PHE A 27 40.272 4.199 -9.427 1.00 0.00 C ATOM 420 O PHE A 27 41.473 4.017 -9.390 1.00 0.00 O ATOM 421 CB PHE A 27 38.567 2.414 -9.119 1.00 0.00 C ATOM 422 CG PHE A 27 39.524 1.296 -9.450 1.00 0.00 C ATOM 423 CD1 PHE A 27 40.436 1.450 -10.499 1.00 0.00 C ATOM 424 CD2 PHE A 27 39.500 0.107 -8.711 1.00 0.00 C ATOM 425 CE1 PHE A 27 41.326 0.416 -10.810 1.00 0.00 C ATOM 426 CE2 PHE A 27 40.390 -0.928 -9.022 1.00 0.00 C ATOM 427 CZ PHE A 27 41.303 -0.773 -10.072 1.00 0.00 C ATOM 0 H PHE A 27 37.411 4.465 -8.382 1.00 0.00 H new ATOM 0 HA PHE A 27 39.885 3.152 -7.579 1.00 0.00 H new ATOM 0 HB2 PHE A 27 37.771 2.046 -8.471 1.00 0.00 H new ATOM 0 HB3 PHE A 27 38.093 2.782 -10.029 1.00 0.00 H new ATOM 0 HD1 PHE A 27 40.453 2.367 -11.069 1.00 0.00 H new ATOM 0 HD2 PHE A 27 38.795 -0.012 -7.901 1.00 0.00 H new ATOM 0 HE1 PHE A 27 42.031 0.535 -11.620 1.00 0.00 H new ATOM 0 HE2 PHE A 27 40.372 -1.845 -8.452 1.00 0.00 H new ATOM 0 HZ PHE A 27 41.990 -1.571 -10.313 1.00 0.00 H new ATOM 437 N ALA A 28 39.716 4.965 -10.320 1.00 0.00 N ATOM 438 CA ALA A 28 40.533 5.662 -11.348 1.00 0.00 C ATOM 439 C ALA A 28 41.621 6.501 -10.670 1.00 0.00 C ATOM 440 O ALA A 28 42.796 6.359 -10.947 1.00 0.00 O ATOM 441 CB ALA A 28 39.613 6.586 -12.150 1.00 0.00 C ATOM 0 H ALA A 28 38.713 5.140 -10.382 1.00 0.00 H new ATOM 0 HA ALA A 28 41.006 4.930 -12.003 1.00 0.00 H new ATOM 0 HB1 ALA A 28 40.194 7.107 -12.911 1.00 0.00 H new ATOM 0 HB2 ALA A 28 38.833 5.995 -12.631 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.155 7.314 -11.480 1.00 0.00 H new ATOM 447 N ALA A 29 41.228 7.387 -9.798 1.00 0.00 N ATOM 448 CA ALA A 29 42.219 8.266 -9.105 1.00 0.00 C ATOM 449 C ALA A 29 43.041 7.470 -8.088 1.00 0.00 C ATOM 450 O ALA A 29 44.254 7.455 -8.134 1.00 0.00 O ATOM 451 CB ALA A 29 41.473 9.375 -8.368 1.00 0.00 C ATOM 0 H ALA A 29 40.256 7.543 -9.532 1.00 0.00 H new ATOM 0 HA ALA A 29 42.892 8.684 -9.854 1.00 0.00 H new ATOM 0 HB1 ALA A 29 42.190 10.020 -7.860 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.898 9.964 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 29 40.798 8.934 -7.634 1.00 0.00 H new ATOM 457 N LEU A 30 42.392 6.824 -7.157 1.00 0.00 N ATOM 458 CA LEU A 30 43.138 6.046 -6.120 1.00 0.00 C ATOM 459 C LEU A 30 43.570 4.679 -6.678 1.00 0.00 C ATOM 460 O LEU A 30 43.810 3.746 -5.943 1.00 0.00 O ATOM 461 CB LEU A 30 42.243 5.886 -4.871 1.00 0.00 C ATOM 462 CG LEU A 30 41.491 4.548 -4.880 1.00 0.00 C ATOM 463 CD1 LEU A 30 42.228 3.540 -3.995 1.00 0.00 C ATOM 464 CD2 LEU A 30 40.081 4.757 -4.322 1.00 0.00 C ATOM 0 H LEU A 30 41.376 6.800 -7.068 1.00 0.00 H new ATOM 0 HA LEU A 30 44.044 6.582 -5.839 1.00 0.00 H new ATOM 0 HB2 LEU A 30 42.857 5.953 -3.973 1.00 0.00 H new ATOM 0 HB3 LEU A 30 41.526 6.706 -4.829 1.00 0.00 H new ATOM 0 HG LEU A 30 41.437 4.171 -5.901 1.00 0.00 H new ATOM 0 HD11 LEU A 30 41.693 2.590 -4.002 1.00 0.00 H new ATOM 0 HD12 LEU A 30 43.238 3.391 -4.377 1.00 0.00 H new ATOM 0 HD13 LEU A 30 42.279 3.920 -2.975 1.00 0.00 H new ATOM 0 HD21 LEU A 30 39.544 3.809 -4.327 1.00 0.00 H new ATOM 0 HD22 LEU A 30 40.146 5.132 -3.301 1.00 0.00 H new ATOM 0 HD23 LEU A 30 39.548 5.479 -4.941 1.00 0.00 H new ATOM 476 N SER A 31 43.676 4.560 -7.973 1.00 0.00 N ATOM 477 CA SER A 31 44.093 3.268 -8.586 1.00 0.00 C ATOM 478 C SER A 31 45.177 2.589 -7.735 1.00 0.00 C ATOM 479 O SER A 31 45.087 1.414 -7.439 1.00 0.00 O ATOM 480 CB SER A 31 44.632 3.542 -9.993 1.00 0.00 C ATOM 481 OG SER A 31 45.861 2.851 -10.177 1.00 0.00 O ATOM 0 H SER A 31 43.490 5.310 -8.638 1.00 0.00 H new ATOM 0 HA SER A 31 43.233 2.600 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 31 43.907 3.220 -10.740 1.00 0.00 H new ATOM 0 HB3 SER A 31 44.781 4.613 -10.134 1.00 0.00 H new ATOM 0 HG SER A 31 46.203 3.026 -11.078 1.00 0.00 H new ATOM 487 N PRO A 32 46.174 3.353 -7.386 1.00 0.00 N ATOM 488 CA PRO A 32 47.370 2.947 -6.574 1.00 0.00 C ATOM 489 C PRO A 32 47.119 3.138 -5.074 1.00 0.00 C ATOM 490 O PRO A 32 47.745 2.507 -4.249 1.00 0.00 O ATOM 491 CB PRO A 32 48.491 3.866 -7.039 1.00 0.00 C ATOM 492 CG PRO A 32 47.826 5.108 -7.606 1.00 0.00 C ATOM 493 CD PRO A 32 46.330 4.803 -7.731 1.00 0.00 C ATOM 0 HA PRO A 32 47.606 1.892 -6.714 1.00 0.00 H new ATOM 0 HB2 PRO A 32 49.150 4.124 -6.210 1.00 0.00 H new ATOM 0 HB3 PRO A 32 49.105 3.376 -7.794 1.00 0.00 H new ATOM 0 HG2 PRO A 32 47.991 5.965 -6.953 1.00 0.00 H new ATOM 0 HG3 PRO A 32 48.250 5.362 -8.578 1.00 0.00 H new ATOM 0 HD2 PRO A 32 45.746 5.430 -7.057 1.00 0.00 H new ATOM 0 HD3 PRO A 32 45.974 5.004 -8.741 1.00 0.00 H new ATOM 501 N ALA A 33 46.222 4.007 -4.711 1.00 0.00 N ATOM 502 CA ALA A 33 45.955 4.235 -3.262 1.00 0.00 C ATOM 503 C ALA A 33 45.423 2.954 -2.619 1.00 0.00 C ATOM 504 O ALA A 33 45.498 2.773 -1.421 1.00 0.00 O ATOM 505 CB ALA A 33 44.920 5.343 -3.111 1.00 0.00 C ATOM 0 H ALA A 33 45.662 4.570 -5.351 1.00 0.00 H new ATOM 0 HA ALA A 33 46.883 4.523 -2.767 1.00 0.00 H new ATOM 0 HB1 ALA A 33 44.721 5.514 -2.053 1.00 0.00 H new ATOM 0 HB2 ALA A 33 45.300 6.260 -3.561 1.00 0.00 H new ATOM 0 HB3 ALA A 33 43.997 5.049 -3.611 1.00 0.00 H new ATOM 511 N ILE A 34 44.880 2.066 -3.402 1.00 0.00 N ATOM 512 CA ILE A 34 44.341 0.798 -2.827 1.00 0.00 C ATOM 513 C ILE A 34 45.432 0.101 -2.006 1.00 0.00 C ATOM 514 O ILE A 34 45.150 -0.654 -1.097 1.00 0.00 O ATOM 515 CB ILE A 34 43.873 -0.128 -3.956 1.00 0.00 C ATOM 516 CG1 ILE A 34 42.970 -1.220 -3.373 1.00 0.00 C ATOM 517 CG2 ILE A 34 45.082 -0.778 -4.634 1.00 0.00 C ATOM 518 CD1 ILE A 34 41.929 -1.638 -4.413 1.00 0.00 C ATOM 0 H ILE A 34 44.785 2.160 -4.413 1.00 0.00 H new ATOM 0 HA ILE A 34 43.494 1.029 -2.181 1.00 0.00 H new ATOM 0 HB ILE A 34 43.320 0.455 -4.693 1.00 0.00 H new ATOM 0 HG12 ILE A 34 43.569 -2.081 -3.077 1.00 0.00 H new ATOM 0 HG13 ILE A 34 42.474 -0.854 -2.474 1.00 0.00 H new ATOM 0 HG21 ILE A 34 44.741 -1.434 -5.435 1.00 0.00 H new ATOM 0 HG22 ILE A 34 45.726 -0.003 -5.049 1.00 0.00 H new ATOM 0 HG23 ILE A 34 45.641 -1.360 -3.901 1.00 0.00 H new ATOM 0 HD11 ILE A 34 41.289 -2.415 -3.995 1.00 0.00 H new ATOM 0 HD12 ILE A 34 41.322 -0.775 -4.687 1.00 0.00 H new ATOM 0 HD13 ILE A 34 42.434 -2.022 -5.299 1.00 0.00 H new ATOM 530 N THR A 35 46.677 0.347 -2.316 1.00 0.00 N ATOM 531 CA THR A 35 47.779 -0.304 -1.548 1.00 0.00 C ATOM 532 C THR A 35 47.865 0.321 -0.155 1.00 0.00 C ATOM 533 O THR A 35 48.157 -0.344 0.819 1.00 0.00 O ATOM 534 CB THR A 35 49.114 -0.097 -2.272 1.00 0.00 C ATOM 535 OG1 THR A 35 48.903 0.663 -3.453 1.00 0.00 O ATOM 536 CG2 THR A 35 49.717 -1.454 -2.638 1.00 0.00 C ATOM 0 H THR A 35 46.979 0.969 -3.066 1.00 0.00 H new ATOM 0 HA THR A 35 47.573 -1.371 -1.465 1.00 0.00 H new ATOM 0 HB THR A 35 49.800 0.438 -1.615 1.00 0.00 H new ATOM 0 HG1 THR A 35 48.636 1.575 -3.212 1.00 0.00 H new ATOM 0 HG21 THR A 35 50.666 -1.304 -3.153 1.00 0.00 H new ATOM 0 HG22 THR A 35 49.884 -2.034 -1.731 1.00 0.00 H new ATOM 0 HG23 THR A 35 49.031 -1.992 -3.292 1.00 0.00 H new ATOM 544 N PHE A 36 47.616 1.599 -0.060 1.00 0.00 N ATOM 545 CA PHE A 36 47.680 2.288 1.262 1.00 0.00 C ATOM 546 C PHE A 36 47.077 1.390 2.345 1.00 0.00 C ATOM 547 O PHE A 36 47.679 1.156 3.374 1.00 0.00 O ATOM 548 CB PHE A 36 46.889 3.598 1.188 1.00 0.00 C ATOM 549 CG PHE A 36 46.700 4.161 2.578 1.00 0.00 C ATOM 550 CD1 PHE A 36 47.802 4.651 3.289 1.00 0.00 C ATOM 551 CD2 PHE A 36 45.424 4.195 3.155 1.00 0.00 C ATOM 552 CE1 PHE A 36 47.628 5.176 4.576 1.00 0.00 C ATOM 553 CE2 PHE A 36 45.250 4.719 4.442 1.00 0.00 C ATOM 554 CZ PHE A 36 46.353 5.210 5.152 1.00 0.00 C ATOM 0 H PHE A 36 47.369 2.200 -0.847 1.00 0.00 H new ATOM 0 HA PHE A 36 48.720 2.499 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 36 47.417 4.318 0.563 1.00 0.00 H new ATOM 0 HB3 PHE A 36 45.919 3.422 0.722 1.00 0.00 H new ATOM 0 HD1 PHE A 36 48.786 4.624 2.845 1.00 0.00 H new ATOM 0 HD2 PHE A 36 44.574 3.817 2.607 1.00 0.00 H new ATOM 0 HE1 PHE A 36 48.478 5.555 5.124 1.00 0.00 H new ATOM 0 HE2 PHE A 36 44.266 4.744 4.887 1.00 0.00 H new ATOM 0 HZ PHE A 36 46.220 5.615 6.144 1.00 0.00 H new ATOM 564 N GLY A 37 45.894 0.887 2.125 1.00 0.00 N ATOM 565 CA GLY A 37 45.260 0.008 3.149 1.00 0.00 C ATOM 566 C GLY A 37 44.965 -1.363 2.541 1.00 0.00 C ATOM 567 O GLY A 37 43.918 -1.585 1.963 1.00 0.00 O ATOM 0 H GLY A 37 45.340 1.045 1.283 1.00 0.00 H new ATOM 0 HA2 GLY A 37 45.921 -0.100 4.009 1.00 0.00 H new ATOM 0 HA3 GLY A 37 44.337 0.462 3.511 1.00 0.00 H new ATOM 571 N GLY A 38 45.876 -2.289 2.669 1.00 0.00 N ATOM 572 CA GLY A 38 45.642 -3.646 2.099 1.00 0.00 C ATOM 573 C GLY A 38 46.421 -4.685 2.909 1.00 0.00 C ATOM 574 O GLY A 38 47.060 -5.560 2.359 1.00 0.00 O ATOM 0 H GLY A 38 46.771 -2.165 3.143 1.00 0.00 H new ATOM 0 HA2 GLY A 38 44.578 -3.880 2.116 1.00 0.00 H new ATOM 0 HA3 GLY A 38 45.957 -3.673 1.056 1.00 0.00 H new ATOM 578 N LEU A 39 46.373 -4.600 4.212 1.00 0.00 N ATOM 579 CA LEU A 39 47.111 -5.588 5.051 1.00 0.00 C ATOM 580 C LEU A 39 46.310 -6.890 5.123 1.00 0.00 C ATOM 581 O LEU A 39 45.269 -7.024 4.510 1.00 0.00 O ATOM 582 CB LEU A 39 47.302 -5.026 6.463 1.00 0.00 C ATOM 583 CG LEU A 39 48.784 -5.082 6.839 1.00 0.00 C ATOM 584 CD1 LEU A 39 49.301 -3.666 7.097 1.00 0.00 C ATOM 585 CD2 LEU A 39 48.958 -5.925 8.105 1.00 0.00 C ATOM 0 H LEU A 39 45.856 -3.890 4.731 1.00 0.00 H new ATOM 0 HA LEU A 39 48.087 -5.783 4.607 1.00 0.00 H new ATOM 0 HB2 LEU A 39 46.943 -3.998 6.508 1.00 0.00 H new ATOM 0 HB3 LEU A 39 46.713 -5.601 7.177 1.00 0.00 H new ATOM 0 HG LEU A 39 49.348 -5.531 6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 39 50.357 -3.707 7.365 1.00 0.00 H new ATOM 0 HD12 LEU A 39 49.178 -3.064 6.197 1.00 0.00 H new ATOM 0 HD13 LEU A 39 48.737 -3.216 7.914 1.00 0.00 H new ATOM 0 HD21 LEU A 39 50.014 -5.965 8.373 1.00 0.00 H new ATOM 0 HD22 LEU A 39 48.393 -5.476 8.922 1.00 0.00 H new ATOM 0 HD23 LEU A 39 48.591 -6.935 7.923 1.00 0.00 H new ATOM 597 N LEU A 40 46.787 -7.851 5.865 1.00 0.00 N ATOM 598 CA LEU A 40 46.051 -9.143 5.973 1.00 0.00 C ATOM 599 C LEU A 40 44.602 -8.870 6.377 1.00 0.00 C ATOM 600 O LEU A 40 43.674 -9.338 5.748 1.00 0.00 O ATOM 601 CB LEU A 40 46.719 -10.023 7.030 1.00 0.00 C ATOM 602 CG LEU A 40 47.786 -10.891 6.367 1.00 0.00 C ATOM 603 CD1 LEU A 40 47.139 -11.751 5.281 1.00 0.00 C ATOM 604 CD2 LEU A 40 48.854 -9.993 5.738 1.00 0.00 C ATOM 0 H LEU A 40 47.653 -7.798 6.401 1.00 0.00 H new ATOM 0 HA LEU A 40 46.070 -9.655 5.011 1.00 0.00 H new ATOM 0 HB2 LEU A 40 47.169 -9.402 7.804 1.00 0.00 H new ATOM 0 HB3 LEU A 40 45.975 -10.652 7.519 1.00 0.00 H new ATOM 0 HG LEU A 40 48.248 -11.536 7.115 1.00 0.00 H new ATOM 0 HD11 LEU A 40 47.900 -12.371 4.807 1.00 0.00 H new ATOM 0 HD12 LEU A 40 46.377 -12.390 5.728 1.00 0.00 H new ATOM 0 HD13 LEU A 40 46.678 -11.106 4.533 1.00 0.00 H new ATOM 0 HD21 LEU A 40 49.616 -10.611 5.264 1.00 0.00 H new ATOM 0 HD22 LEU A 40 48.393 -9.349 4.990 1.00 0.00 H new ATOM 0 HD23 LEU A 40 49.314 -9.379 6.512 1.00 0.00 H new ATOM 616 N GLY A 41 44.402 -8.114 7.421 1.00 0.00 N ATOM 617 CA GLY A 41 43.012 -7.808 7.864 1.00 0.00 C ATOM 618 C GLY A 41 42.634 -6.399 7.405 1.00 0.00 C ATOM 619 O GLY A 41 42.788 -6.052 6.251 1.00 0.00 O ATOM 0 H GLY A 41 45.140 -7.695 7.986 1.00 0.00 H new ATOM 0 HA2 GLY A 41 42.317 -8.537 7.448 1.00 0.00 H new ATOM 0 HA3 GLY A 41 42.939 -7.881 8.949 1.00 0.00 H new ATOM 623 N GLU A 42 42.143 -5.581 8.295 1.00 0.00 N ATOM 624 CA GLU A 42 41.763 -4.197 7.901 1.00 0.00 C ATOM 625 C GLU A 42 43.013 -3.314 7.883 1.00 0.00 C ATOM 626 O GLU A 42 43.119 -2.386 7.105 1.00 0.00 O ATOM 627 CB GLU A 42 40.754 -3.637 8.907 1.00 0.00 C ATOM 628 CG GLU A 42 39.381 -4.267 8.662 1.00 0.00 C ATOM 629 CD GLU A 42 38.286 -3.272 9.050 1.00 0.00 C ATOM 630 OE1 GLU A 42 37.967 -2.423 8.233 1.00 0.00 O ATOM 631 OE2 GLU A 42 37.783 -3.376 10.157 1.00 0.00 O ATOM 0 H GLU A 42 41.989 -5.812 9.277 1.00 0.00 H new ATOM 0 HA GLU A 42 41.313 -4.211 6.908 1.00 0.00 H new ATOM 0 HB2 GLU A 42 41.085 -3.846 9.924 1.00 0.00 H new ATOM 0 HB3 GLU A 42 40.691 -2.553 8.809 1.00 0.00 H new ATOM 0 HG2 GLU A 42 39.279 -4.545 7.613 1.00 0.00 H new ATOM 0 HG3 GLU A 42 39.279 -5.182 9.246 1.00 0.00 H new ATOM 638 N LYS A 43 43.962 -3.597 8.735 1.00 0.00 N ATOM 639 CA LYS A 43 45.206 -2.777 8.768 1.00 0.00 C ATOM 640 C LYS A 43 46.104 -3.261 9.908 1.00 0.00 C ATOM 641 O LYS A 43 46.275 -2.516 10.858 1.00 0.00 O ATOM 642 CB LYS A 43 44.844 -1.308 8.996 1.00 0.00 C ATOM 643 CG LYS A 43 45.839 -0.418 8.250 1.00 0.00 C ATOM 644 CD LYS A 43 46.309 0.707 9.172 1.00 0.00 C ATOM 645 CE LYS A 43 45.810 2.050 8.634 1.00 0.00 C ATOM 646 NZ LYS A 43 45.731 3.035 9.749 1.00 0.00 N ATOM 647 OXT LYS A 43 46.606 -4.369 9.811 1.00 0.00 O ATOM 0 H LYS A 43 43.929 -4.361 9.410 1.00 0.00 H new ATOM 0 HA LYS A 43 45.733 -2.879 7.819 1.00 0.00 H new ATOM 0 HB2 LYS A 43 43.831 -1.113 8.645 1.00 0.00 H new ATOM 0 HB3 LYS A 43 44.862 -1.079 10.061 1.00 0.00 H new ATOM 0 HG2 LYS A 43 46.692 -1.009 7.916 1.00 0.00 H new ATOM 0 HG3 LYS A 43 45.372 -0.000 7.358 1.00 0.00 H new ATOM 0 HD2 LYS A 43 45.932 0.545 10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 43 47.397 0.710 9.234 1.00 0.00 H new ATOM 0 HE2 LYS A 43 46.483 2.416 7.859 1.00 0.00 H new ATOM 0 HE3 LYS A 43 44.830 1.927 8.173 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 45.392 3.947 9.383 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 45.072 2.686 10.474 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 46.674 3.160 10.170 1.00 0.00 H new TER 661 LYS A 43