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 -93:sc= -0.284 USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 17 GLN : amide:sc= -7.4! C(o=-7.4!,f=-7.9!) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 87:sc= 0.785 USER MOD Single : A 35 THR OG1 : rot 101:sc= 1.15 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- HETATM 1 C ACE A 1 35.038 -24.857 -0.992 1.00 0.00 C HETATM 2 O ACE A 1 34.789 -24.224 0.014 1.00 0.00 O HETATM 3 CH3 ACE A 1 35.184 -26.380 -0.957 1.00 0.00 C HETATM 0 H1 ACE A 1 34.441 -26.832 -1.615 1.00 0.00 H new HETATM 0 H2 ACE A 1 36.183 -26.658 -1.293 1.00 0.00 H new HETATM 0 H3 ACE A 1 35.032 -26.737 0.062 1.00 0.00 H new ATOM 7 N ARG A 2 35.190 -24.265 -2.144 1.00 0.00 N ATOM 8 CA ARG A 2 35.059 -22.784 -2.243 1.00 0.00 C ATOM 9 C ARG A 2 33.739 -22.343 -1.604 1.00 0.00 C ATOM 10 O ARG A 2 32.962 -23.153 -1.138 1.00 0.00 O ATOM 11 CB ARG A 2 35.078 -22.369 -3.715 1.00 0.00 C ATOM 12 CG ARG A 2 36.128 -21.275 -3.922 1.00 0.00 C ATOM 13 CD ARG A 2 37.528 -21.875 -3.777 1.00 0.00 C ATOM 14 NE ARG A 2 38.544 -20.873 -4.204 1.00 0.00 N ATOM 15 CZ ARG A 2 39.814 -21.117 -4.031 1.00 0.00 C ATOM 16 NH1 ARG A 2 40.225 -21.689 -2.932 1.00 0.00 N ATOM 17 NH2 ARG A 2 40.675 -20.788 -4.955 1.00 0.00 N ATOM 0 H ARG A 2 35.399 -24.742 -3.021 1.00 0.00 H new ATOM 0 HA ARG A 2 35.890 -22.310 -1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 2 35.305 -23.230 -4.344 1.00 0.00 H new ATOM 0 HB3 ARG A 2 34.095 -22.006 -4.014 1.00 0.00 H new ATOM 0 HG2 ARG A 2 36.013 -20.828 -4.910 1.00 0.00 H new ATOM 0 HG3 ARG A 2 35.986 -20.477 -3.193 1.00 0.00 H new ATOM 0 HD2 ARG A 2 37.704 -22.169 -2.742 1.00 0.00 H new ATOM 0 HD3 ARG A 2 37.614 -22.777 -4.383 1.00 0.00 H new ATOM 0 HE ARG A 2 38.247 -19.996 -4.632 1.00 0.00 H new ATOM 0 HH11 ARG A 2 39.553 -21.945 -2.208 1.00 0.00 H new ATOM 0 HH12 ARG A 2 41.218 -21.880 -2.797 1.00 0.00 H new ATOM 0 HH21 ARG A 2 40.355 -20.340 -5.814 1.00 0.00 H new ATOM 0 HH22 ARG A 2 41.668 -20.979 -4.819 1.00 0.00 H new ATOM 31 N TYR A 3 33.481 -21.064 -1.579 1.00 0.00 N ATOM 32 CA TYR A 3 32.215 -20.569 -0.970 1.00 0.00 C ATOM 33 C TYR A 3 31.753 -19.310 -1.707 1.00 0.00 C ATOM 34 O TYR A 3 32.183 -18.217 -1.397 1.00 0.00 O ATOM 35 CB TYR A 3 32.455 -20.236 0.504 1.00 0.00 C ATOM 36 CG TYR A 3 31.460 -20.983 1.361 1.00 0.00 C ATOM 37 CD1 TYR A 3 30.152 -21.184 0.903 1.00 0.00 C ATOM 38 CD2 TYR A 3 31.846 -21.473 2.614 1.00 0.00 C ATOM 39 CE1 TYR A 3 29.230 -21.874 1.699 1.00 0.00 C ATOM 40 CE2 TYR A 3 30.924 -22.162 3.410 1.00 0.00 C ATOM 41 CZ TYR A 3 29.616 -22.364 2.952 1.00 0.00 C ATOM 42 OH TYR A 3 28.708 -23.042 3.738 1.00 0.00 O ATOM 0 H TYR A 3 34.093 -20.340 -1.955 1.00 0.00 H new ATOM 0 HA TYR A 3 31.448 -21.339 -1.049 1.00 0.00 H new ATOM 0 HB2 TYR A 3 33.471 -20.508 0.788 1.00 0.00 H new ATOM 0 HB3 TYR A 3 32.356 -19.163 0.666 1.00 0.00 H new ATOM 0 HD1 TYR A 3 29.855 -20.807 -0.064 1.00 0.00 H new ATOM 0 HD2 TYR A 3 32.855 -21.319 2.966 1.00 0.00 H new ATOM 0 HE1 TYR A 3 28.221 -22.028 1.346 1.00 0.00 H new ATOM 0 HE2 TYR A 3 31.221 -22.538 4.378 1.00 0.00 H new ATOM 0 HH TYR A 3 29.139 -23.315 4.575 1.00 0.00 H new ATOM 52 N PRO A 4 30.887 -19.507 -2.663 1.00 0.00 N ATOM 53 CA PRO A 4 30.279 -18.445 -3.531 1.00 0.00 C ATOM 54 C PRO A 4 29.072 -17.814 -2.830 1.00 0.00 C ATOM 55 O PRO A 4 28.868 -16.617 -2.883 1.00 0.00 O ATOM 56 CB PRO A 4 29.849 -19.155 -4.805 1.00 0.00 C ATOM 57 CG PRO A 4 29.652 -20.613 -4.445 1.00 0.00 C ATOM 58 CD PRO A 4 30.324 -20.837 -3.088 1.00 0.00 C ATOM 0 HA PRO A 4 30.982 -17.639 -3.741 1.00 0.00 H new ATOM 0 HB2 PRO A 4 28.927 -18.725 -5.195 1.00 0.00 H new ATOM 0 HB3 PRO A 4 30.605 -19.047 -5.582 1.00 0.00 H new ATOM 0 HG2 PRO A 4 28.591 -20.857 -4.394 1.00 0.00 H new ATOM 0 HG3 PRO A 4 30.092 -21.260 -5.204 1.00 0.00 H new ATOM 0 HD2 PRO A 4 29.606 -21.206 -2.356 1.00 0.00 H new ATOM 0 HD3 PRO A 4 31.113 -21.585 -3.165 1.00 0.00 H new ATOM 66 N TYR A 5 28.272 -18.606 -2.168 1.00 0.00 N ATOM 67 CA TYR A 5 27.085 -18.045 -1.462 1.00 0.00 C ATOM 68 C TYR A 5 27.559 -17.158 -0.306 1.00 0.00 C ATOM 69 O TYR A 5 26.910 -16.200 0.064 1.00 0.00 O ATOM 70 CB TYR A 5 26.231 -19.192 -0.914 1.00 0.00 C ATOM 71 CG TYR A 5 24.814 -19.058 -1.419 1.00 0.00 C ATOM 72 CD1 TYR A 5 24.253 -17.789 -1.608 1.00 0.00 C ATOM 73 CD2 TYR A 5 24.061 -20.205 -1.698 1.00 0.00 C ATOM 74 CE1 TYR A 5 22.940 -17.668 -2.076 1.00 0.00 C ATOM 75 CE2 TYR A 5 22.747 -20.083 -2.166 1.00 0.00 C ATOM 76 CZ TYR A 5 22.187 -18.815 -2.354 1.00 0.00 C ATOM 77 OH TYR A 5 20.891 -18.696 -2.816 1.00 0.00 O ATOM 0 H TYR A 5 28.389 -19.616 -2.086 1.00 0.00 H new ATOM 0 HA TYR A 5 26.490 -17.451 -2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 5 26.649 -20.150 -1.224 1.00 0.00 H new ATOM 0 HB3 TYR A 5 26.242 -19.178 0.176 1.00 0.00 H new ATOM 0 HD1 TYR A 5 24.834 -16.904 -1.393 1.00 0.00 H new ATOM 0 HD2 TYR A 5 24.494 -21.184 -1.552 1.00 0.00 H new ATOM 0 HE1 TYR A 5 22.507 -16.689 -2.223 1.00 0.00 H new ATOM 0 HE2 TYR A 5 22.166 -20.968 -2.382 1.00 0.00 H new ATOM 0 HH TYR A 5 20.512 -19.588 -2.960 1.00 0.00 H new ATOM 87 N TYR A 6 28.690 -17.474 0.261 1.00 0.00 N ATOM 88 CA TYR A 6 29.227 -16.661 1.392 1.00 0.00 C ATOM 89 C TYR A 6 29.117 -15.175 1.064 1.00 0.00 C ATOM 90 O TYR A 6 28.804 -14.359 1.908 1.00 0.00 O ATOM 91 CB TYR A 6 30.699 -17.003 1.591 1.00 0.00 C ATOM 92 CG TYR A 6 31.177 -16.430 2.904 1.00 0.00 C ATOM 93 CD1 TYR A 6 31.562 -15.085 2.980 1.00 0.00 C ATOM 94 CD2 TYR A 6 31.235 -17.240 4.043 1.00 0.00 C ATOM 95 CE1 TYR A 6 32.006 -14.552 4.196 1.00 0.00 C ATOM 96 CE2 TYR A 6 31.679 -16.707 5.260 1.00 0.00 C ATOM 97 CZ TYR A 6 32.064 -15.363 5.336 1.00 0.00 C ATOM 98 OH TYR A 6 32.502 -14.839 6.535 1.00 0.00 O ATOM 0 H TYR A 6 29.271 -18.267 -0.012 1.00 0.00 H new ATOM 0 HA TYR A 6 28.655 -16.880 2.294 1.00 0.00 H new ATOM 0 HB2 TYR A 6 30.836 -18.084 1.583 1.00 0.00 H new ATOM 0 HB3 TYR A 6 31.291 -16.600 0.769 1.00 0.00 H new ATOM 0 HD1 TYR A 6 31.516 -14.460 2.101 1.00 0.00 H new ATOM 0 HD2 TYR A 6 30.937 -18.277 3.984 1.00 0.00 H new ATOM 0 HE1 TYR A 6 32.304 -13.516 4.255 1.00 0.00 H new ATOM 0 HE2 TYR A 6 31.724 -17.333 6.139 1.00 0.00 H new ATOM 0 HH TYR A 6 32.479 -15.535 7.224 1.00 0.00 H new ATOM 108 N LEU A 7 29.398 -14.823 -0.154 1.00 0.00 N ATOM 109 CA LEU A 7 29.337 -13.392 -0.558 1.00 0.00 C ATOM 110 C LEU A 7 27.981 -12.799 -0.175 1.00 0.00 C ATOM 111 O LEU A 7 27.903 -11.802 0.513 1.00 0.00 O ATOM 112 CB LEU A 7 29.523 -13.285 -2.072 1.00 0.00 C ATOM 113 CG LEU A 7 31.006 -13.111 -2.399 1.00 0.00 C ATOM 114 CD1 LEU A 7 31.786 -14.325 -1.891 1.00 0.00 C ATOM 115 CD2 LEU A 7 31.178 -12.993 -3.914 1.00 0.00 C ATOM 0 H LEU A 7 29.670 -15.469 -0.895 1.00 0.00 H new ATOM 0 HA LEU A 7 30.128 -12.842 -0.047 1.00 0.00 H new ATOM 0 HB2 LEU A 7 29.136 -14.180 -2.560 1.00 0.00 H new ATOM 0 HB3 LEU A 7 28.954 -12.440 -2.459 1.00 0.00 H new ATOM 0 HG LEU A 7 31.384 -12.210 -1.916 1.00 0.00 H new ATOM 0 HD11 LEU A 7 32.844 -14.201 -2.124 1.00 0.00 H new ATOM 0 HD12 LEU A 7 31.660 -14.413 -0.812 1.00 0.00 H new ATOM 0 HD13 LEU A 7 31.411 -15.227 -2.375 1.00 0.00 H new ATOM 0 HD21 LEU A 7 32.234 -12.869 -4.152 1.00 0.00 H new ATOM 0 HD22 LEU A 7 30.802 -13.896 -4.394 1.00 0.00 H new ATOM 0 HD23 LEU A 7 30.620 -12.130 -4.277 1.00 0.00 H new ATOM 127 N SER A 8 26.915 -13.395 -0.627 1.00 0.00 N ATOM 128 CA SER A 8 25.562 -12.856 -0.302 1.00 0.00 C ATOM 129 C SER A 8 25.031 -13.495 0.984 1.00 0.00 C ATOM 130 O SER A 8 23.872 -13.358 1.322 1.00 0.00 O ATOM 131 CB SER A 8 24.603 -13.165 -1.453 1.00 0.00 C ATOM 132 OG SER A 8 23.660 -12.108 -1.576 1.00 0.00 O ATOM 0 H SER A 8 26.920 -14.233 -1.208 1.00 0.00 H new ATOM 0 HA SER A 8 25.636 -11.778 -0.159 1.00 0.00 H new ATOM 0 HB2 SER A 8 25.159 -13.282 -2.383 1.00 0.00 H new ATOM 0 HB3 SER A 8 24.088 -14.108 -1.269 1.00 0.00 H new ATOM 0 HG SER A 8 23.045 -12.302 -2.314 1.00 0.00 H new ATOM 138 N ASP A 9 25.861 -14.203 1.697 1.00 0.00 N ATOM 139 CA ASP A 9 25.393 -14.861 2.949 1.00 0.00 C ATOM 140 C ASP A 9 25.587 -13.934 4.156 1.00 0.00 C ATOM 141 O ASP A 9 24.639 -13.408 4.704 1.00 0.00 O ATOM 142 CB ASP A 9 26.190 -16.147 3.170 1.00 0.00 C ATOM 143 CG ASP A 9 25.730 -17.211 2.172 1.00 0.00 C ATOM 144 OD1 ASP A 9 24.669 -17.037 1.596 1.00 0.00 O ATOM 145 OD2 ASP A 9 26.447 -18.183 2.003 1.00 0.00 O ATOM 0 H ASP A 9 26.843 -14.355 1.467 1.00 0.00 H new ATOM 0 HA ASP A 9 24.331 -15.087 2.849 1.00 0.00 H new ATOM 0 HB2 ASP A 9 27.255 -15.953 3.045 1.00 0.00 H new ATOM 0 HB3 ASP A 9 26.048 -16.504 4.190 1.00 0.00 H new ATOM 150 N ILE A 10 26.806 -13.757 4.593 1.00 0.00 N ATOM 151 CA ILE A 10 27.063 -12.895 5.785 1.00 0.00 C ATOM 152 C ILE A 10 26.964 -11.411 5.420 1.00 0.00 C ATOM 153 O ILE A 10 26.875 -10.560 6.283 1.00 0.00 O ATOM 154 CB ILE A 10 28.464 -13.192 6.321 1.00 0.00 C ATOM 155 CG1 ILE A 10 28.665 -14.708 6.395 1.00 0.00 C ATOM 156 CG2 ILE A 10 28.619 -12.589 7.719 1.00 0.00 C ATOM 157 CD1 ILE A 10 27.568 -15.326 7.265 1.00 0.00 C ATOM 0 H ILE A 10 27.638 -14.174 4.174 1.00 0.00 H new ATOM 0 HA ILE A 10 26.312 -13.113 6.544 1.00 0.00 H new ATOM 0 HB ILE A 10 29.208 -12.754 5.656 1.00 0.00 H new ATOM 0 HG12 ILE A 10 28.636 -15.139 5.394 1.00 0.00 H new ATOM 0 HG13 ILE A 10 29.646 -14.936 6.812 1.00 0.00 H new ATOM 0 HG21 ILE A 10 29.618 -12.802 8.098 1.00 0.00 H new ATOM 0 HG22 ILE A 10 28.473 -11.510 7.668 1.00 0.00 H new ATOM 0 HG23 ILE A 10 27.876 -13.025 8.388 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.711 -16.405 7.318 1.00 0.00 H new ATOM 0 HD12 ILE A 10 27.618 -14.904 8.269 1.00 0.00 H new ATOM 0 HD13 ILE A 10 26.593 -15.110 6.829 1.00 0.00 H new ATOM 169 N THR A 11 26.983 -11.085 4.159 1.00 0.00 N ATOM 170 CA THR A 11 26.895 -9.648 3.769 1.00 0.00 C ATOM 171 C THR A 11 25.548 -9.070 4.216 1.00 0.00 C ATOM 172 O THR A 11 25.332 -7.876 4.167 1.00 0.00 O ATOM 173 CB THR A 11 27.024 -9.518 2.250 1.00 0.00 C ATOM 174 OG1 THR A 11 26.292 -10.560 1.624 1.00 0.00 O ATOM 175 CG2 THR A 11 28.499 -9.610 1.851 1.00 0.00 C ATOM 0 H THR A 11 27.055 -11.745 3.385 1.00 0.00 H new ATOM 0 HA THR A 11 27.703 -9.098 4.252 1.00 0.00 H new ATOM 0 HB THR A 11 26.626 -8.555 1.931 1.00 0.00 H new ATOM 0 HG1 THR A 11 26.888 -11.318 1.447 1.00 0.00 H new ATOM 0 HG21 THR A 11 28.590 -9.517 0.769 1.00 0.00 H new ATOM 0 HG22 THR A 11 29.057 -8.807 2.332 1.00 0.00 H new ATOM 0 HG23 THR A 11 28.902 -10.572 2.168 1.00 0.00 H new ATOM 183 N ASP A 12 24.639 -9.902 4.648 1.00 0.00 N ATOM 184 CA ASP A 12 23.311 -9.389 5.092 1.00 0.00 C ATOM 185 C ASP A 12 23.425 -8.801 6.501 1.00 0.00 C ATOM 186 O ASP A 12 22.816 -7.798 6.815 1.00 0.00 O ATOM 187 CB ASP A 12 22.298 -10.535 5.102 1.00 0.00 C ATOM 188 CG ASP A 12 20.957 -10.034 4.563 1.00 0.00 C ATOM 189 OD1 ASP A 12 20.299 -9.287 5.269 1.00 0.00 O ATOM 190 OD2 ASP A 12 20.611 -10.406 3.454 1.00 0.00 O ATOM 0 H ASP A 12 24.758 -10.913 4.713 1.00 0.00 H new ATOM 0 HA ASP A 12 22.979 -8.612 4.403 1.00 0.00 H new ATOM 0 HB2 ASP A 12 22.662 -11.362 4.492 1.00 0.00 H new ATOM 0 HB3 ASP A 12 22.175 -10.917 6.115 1.00 0.00 H new ATOM 195 N ALA A 13 24.193 -9.419 7.355 1.00 0.00 N ATOM 196 CA ALA A 13 24.336 -8.894 8.742 1.00 0.00 C ATOM 197 C ALA A 13 25.263 -7.676 8.744 1.00 0.00 C ATOM 198 O ALA A 13 25.215 -6.851 9.634 1.00 0.00 O ATOM 199 CB ALA A 13 24.926 -9.984 9.640 1.00 0.00 C ATOM 0 H ALA A 13 24.727 -10.264 7.153 1.00 0.00 H new ATOM 0 HA ALA A 13 23.356 -8.600 9.117 1.00 0.00 H new ATOM 0 HB1 ALA A 13 25.031 -9.601 10.655 1.00 0.00 H new ATOM 0 HB2 ALA A 13 24.263 -10.849 9.645 1.00 0.00 H new ATOM 0 HB3 ALA A 13 25.904 -10.278 9.260 1.00 0.00 H new ATOM 205 N PHE A 14 26.107 -7.554 7.755 1.00 0.00 N ATOM 206 CA PHE A 14 27.030 -6.388 7.708 1.00 0.00 C ATOM 207 C PHE A 14 26.366 -5.244 6.940 1.00 0.00 C ATOM 208 O PHE A 14 27.021 -4.455 6.290 1.00 0.00 O ATOM 209 CB PHE A 14 28.335 -6.792 7.015 1.00 0.00 C ATOM 210 CG PHE A 14 29.377 -7.127 8.058 1.00 0.00 C ATOM 211 CD1 PHE A 14 28.983 -7.548 9.335 1.00 0.00 C ATOM 212 CD2 PHE A 14 30.739 -7.016 7.749 1.00 0.00 C ATOM 213 CE1 PHE A 14 29.948 -7.858 10.300 1.00 0.00 C ATOM 214 CE2 PHE A 14 31.704 -7.326 8.716 1.00 0.00 C ATOM 215 CZ PHE A 14 31.308 -7.746 9.991 1.00 0.00 C ATOM 0 H PHE A 14 26.196 -8.211 6.980 1.00 0.00 H new ATOM 0 HA PHE A 14 27.253 -6.059 8.723 1.00 0.00 H new ATOM 0 HB2 PHE A 14 28.164 -7.652 6.367 1.00 0.00 H new ATOM 0 HB3 PHE A 14 28.689 -5.980 6.380 1.00 0.00 H new ATOM 0 HD1 PHE A 14 27.933 -7.633 9.575 1.00 0.00 H new ATOM 0 HD2 PHE A 14 31.045 -6.691 6.765 1.00 0.00 H new ATOM 0 HE1 PHE A 14 29.643 -8.184 11.283 1.00 0.00 H new ATOM 0 HE2 PHE A 14 32.754 -7.241 8.478 1.00 0.00 H new ATOM 0 HZ PHE A 14 32.052 -7.984 10.737 1.00 0.00 H new ATOM 225 N SER A 15 25.067 -5.151 7.014 1.00 0.00 N ATOM 226 CA SER A 15 24.347 -4.060 6.295 1.00 0.00 C ATOM 227 C SER A 15 24.927 -2.697 6.691 1.00 0.00 C ATOM 228 O SER A 15 25.170 -1.861 5.843 1.00 0.00 O ATOM 229 CB SER A 15 22.864 -4.104 6.664 1.00 0.00 C ATOM 230 OG SER A 15 22.132 -4.690 5.596 1.00 0.00 O ATOM 0 H SER A 15 24.470 -5.786 7.544 1.00 0.00 H new ATOM 0 HA SER A 15 24.466 -4.201 5.221 1.00 0.00 H new ATOM 0 HB2 SER A 15 22.722 -4.681 7.578 1.00 0.00 H new ATOM 0 HB3 SER A 15 22.497 -3.097 6.863 1.00 0.00 H new ATOM 0 HG SER A 15 21.181 -4.721 5.830 1.00 0.00 H new ATOM 236 N PRO A 16 25.126 -2.512 7.971 1.00 0.00 N ATOM 237 CA PRO A 16 25.678 -1.264 8.598 1.00 0.00 C ATOM 238 C PRO A 16 27.204 -1.267 8.510 1.00 0.00 C ATOM 239 O PRO A 16 27.836 -0.229 8.488 1.00 0.00 O ATOM 240 CB PRO A 16 25.227 -1.295 10.049 1.00 0.00 C ATOM 241 CG PRO A 16 24.971 -2.746 10.390 1.00 0.00 C ATOM 242 CD PRO A 16 24.849 -3.505 9.068 1.00 0.00 C ATOM 0 HA PRO A 16 25.326 -0.365 8.093 1.00 0.00 H new ATOM 0 HB2 PRO A 16 25.991 -0.872 10.702 1.00 0.00 H new ATOM 0 HB3 PRO A 16 24.325 -0.699 10.187 1.00 0.00 H new ATOM 0 HG2 PRO A 16 25.785 -3.149 10.992 1.00 0.00 H new ATOM 0 HG3 PRO A 16 24.059 -2.848 10.978 1.00 0.00 H new ATOM 0 HD2 PRO A 16 25.558 -4.332 9.030 1.00 0.00 H new ATOM 0 HD3 PRO A 16 23.853 -3.934 8.959 1.00 0.00 H new ATOM 250 N GLN A 17 27.801 -2.424 8.454 1.00 0.00 N ATOM 251 CA GLN A 17 29.285 -2.490 8.361 1.00 0.00 C ATOM 252 C GLN A 17 29.714 -2.130 6.938 1.00 0.00 C ATOM 253 O GLN A 17 30.839 -1.739 6.696 1.00 0.00 O ATOM 254 CB GLN A 17 29.754 -3.908 8.694 1.00 0.00 C ATOM 255 CG GLN A 17 31.125 -3.844 9.368 1.00 0.00 C ATOM 256 CD GLN A 17 32.182 -4.440 8.436 1.00 0.00 C ATOM 257 OE1 GLN A 17 32.098 -4.295 7.233 1.00 0.00 O ATOM 258 NE2 GLN A 17 33.180 -5.108 8.945 1.00 0.00 N ATOM 0 H GLN A 17 27.326 -3.326 8.469 1.00 0.00 H new ATOM 0 HA GLN A 17 29.730 -1.788 9.067 1.00 0.00 H new ATOM 0 HB2 GLN A 17 29.035 -4.395 9.353 1.00 0.00 H new ATOM 0 HB3 GLN A 17 29.811 -4.507 7.785 1.00 0.00 H new ATOM 0 HG2 GLN A 17 31.377 -2.811 9.606 1.00 0.00 H new ATOM 0 HG3 GLN A 17 31.105 -4.393 10.310 1.00 0.00 H new ATOM 0 HE21 GLN A 17 33.250 -5.229 9.955 1.00 0.00 H new ATOM 0 HE22 GLN A 17 33.890 -5.509 8.333 1.00 0.00 H new ATOM 267 N VAL A 18 28.821 -2.255 5.994 1.00 0.00 N ATOM 268 CA VAL A 18 29.169 -1.919 4.585 1.00 0.00 C ATOM 269 C VAL A 18 28.894 -0.438 4.334 1.00 0.00 C ATOM 270 O VAL A 18 29.712 0.264 3.780 1.00 0.00 O ATOM 271 CB VAL A 18 28.323 -2.766 3.639 1.00 0.00 C ATOM 272 CG1 VAL A 18 28.609 -2.360 2.192 1.00 0.00 C ATOM 273 CG2 VAL A 18 28.668 -4.246 3.831 1.00 0.00 C ATOM 0 H VAL A 18 27.864 -2.576 6.139 1.00 0.00 H new ATOM 0 HA VAL A 18 30.225 -2.125 4.409 1.00 0.00 H new ATOM 0 HB VAL A 18 27.267 -2.607 3.858 1.00 0.00 H new ATOM 0 HG11 VAL A 18 28.004 -2.966 1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 18 28.362 -1.307 2.054 1.00 0.00 H new ATOM 0 HG13 VAL A 18 29.665 -2.517 1.972 1.00 0.00 H new ATOM 0 HG21 VAL A 18 28.064 -4.851 3.155 1.00 0.00 H new ATOM 0 HG22 VAL A 18 29.724 -4.405 3.614 1.00 0.00 H new ATOM 0 HG23 VAL A 18 28.462 -4.537 4.861 1.00 0.00 H new ATOM 283 N LEU A 19 27.755 0.052 4.744 1.00 0.00 N ATOM 284 CA LEU A 19 27.457 1.496 4.529 1.00 0.00 C ATOM 285 C LEU A 19 28.597 2.319 5.126 1.00 0.00 C ATOM 286 O LEU A 19 29.148 3.192 4.487 1.00 0.00 O ATOM 287 CB LEU A 19 26.138 1.860 5.217 1.00 0.00 C ATOM 288 CG LEU A 19 25.331 2.794 4.315 1.00 0.00 C ATOM 289 CD1 LEU A 19 23.963 2.172 4.027 1.00 0.00 C ATOM 290 CD2 LEU A 19 25.140 4.141 5.018 1.00 0.00 C ATOM 0 H LEU A 19 27.024 -0.481 5.215 1.00 0.00 H new ATOM 0 HA LEU A 19 27.365 1.705 3.463 1.00 0.00 H new ATOM 0 HB2 LEU A 19 25.565 0.957 5.428 1.00 0.00 H new ATOM 0 HB3 LEU A 19 26.336 2.343 6.174 1.00 0.00 H new ATOM 0 HG LEU A 19 25.866 2.944 3.377 1.00 0.00 H new ATOM 0 HD11 LEU A 19 23.388 2.839 3.384 1.00 0.00 H new ATOM 0 HD12 LEU A 19 24.097 1.213 3.527 1.00 0.00 H new ATOM 0 HD13 LEU A 19 23.427 2.021 4.964 1.00 0.00 H new ATOM 0 HD21 LEU A 19 24.565 4.808 4.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 24.605 3.989 5.956 1.00 0.00 H new ATOM 0 HD23 LEU A 19 26.114 4.586 5.223 1.00 0.00 H new ATOM 302 N ALA A 20 28.968 2.031 6.344 1.00 0.00 N ATOM 303 CA ALA A 20 30.088 2.779 6.976 1.00 0.00 C ATOM 304 C ALA A 20 31.319 2.654 6.085 1.00 0.00 C ATOM 305 O ALA A 20 31.921 3.631 5.694 1.00 0.00 O ATOM 306 CB ALA A 20 30.397 2.170 8.342 1.00 0.00 C ATOM 0 H ALA A 20 28.543 1.310 6.927 1.00 0.00 H new ATOM 0 HA ALA A 20 29.814 3.827 7.098 1.00 0.00 H new ATOM 0 HB1 ALA A 20 31.217 2.717 8.807 1.00 0.00 H new ATOM 0 HB2 ALA A 20 29.513 2.233 8.977 1.00 0.00 H new ATOM 0 HB3 ALA A 20 30.681 1.125 8.219 1.00 0.00 H new ATOM 312 N ALA A 21 31.684 1.446 5.760 1.00 0.00 N ATOM 313 CA ALA A 21 32.868 1.215 4.886 1.00 0.00 C ATOM 314 C ALA A 21 32.876 2.246 3.761 1.00 0.00 C ATOM 315 O ALA A 21 33.854 2.928 3.520 1.00 0.00 O ATOM 316 CB ALA A 21 32.760 -0.186 4.281 1.00 0.00 C ATOM 0 H ALA A 21 31.207 0.598 6.066 1.00 0.00 H new ATOM 0 HA ALA A 21 33.785 1.306 5.468 1.00 0.00 H new ATOM 0 HB1 ALA A 21 33.620 -0.372 3.638 1.00 0.00 H new ATOM 0 HB2 ALA A 21 32.738 -0.927 5.080 1.00 0.00 H new ATOM 0 HB3 ALA A 21 31.845 -0.259 3.694 1.00 0.00 H new ATOM 322 N VAL A 22 31.781 2.348 3.074 1.00 0.00 N ATOM 323 CA VAL A 22 31.673 3.317 1.947 1.00 0.00 C ATOM 324 C VAL A 22 32.195 4.692 2.386 1.00 0.00 C ATOM 325 O VAL A 22 32.994 5.307 1.707 1.00 0.00 O ATOM 326 CB VAL A 22 30.201 3.420 1.521 1.00 0.00 C ATOM 327 CG1 VAL A 22 29.968 4.718 0.742 1.00 0.00 C ATOM 328 CG2 VAL A 22 29.851 2.228 0.626 1.00 0.00 C ATOM 0 H VAL A 22 30.941 1.795 3.244 1.00 0.00 H new ATOM 0 HA VAL A 22 32.274 2.973 1.105 1.00 0.00 H new ATOM 0 HB VAL A 22 29.571 3.418 2.411 1.00 0.00 H new ATOM 0 HG11 VAL A 22 28.921 4.781 0.445 1.00 0.00 H new ATOM 0 HG12 VAL A 22 30.218 5.571 1.373 1.00 0.00 H new ATOM 0 HG13 VAL A 22 30.599 4.727 -0.147 1.00 0.00 H new ATOM 0 HG21 VAL A 22 28.807 2.296 0.321 1.00 0.00 H new ATOM 0 HG22 VAL A 22 30.489 2.237 -0.258 1.00 0.00 H new ATOM 0 HG23 VAL A 22 30.008 1.301 1.177 1.00 0.00 H new ATOM 338 N ILE A 23 31.745 5.185 3.507 1.00 0.00 N ATOM 339 CA ILE A 23 32.210 6.524 3.972 1.00 0.00 C ATOM 340 C ILE A 23 33.694 6.467 4.345 1.00 0.00 C ATOM 341 O ILE A 23 34.407 7.437 4.207 1.00 0.00 O ATOM 342 CB ILE A 23 31.385 6.953 5.190 1.00 0.00 C ATOM 343 CG1 ILE A 23 29.990 7.386 4.731 1.00 0.00 C ATOM 344 CG2 ILE A 23 32.070 8.124 5.896 1.00 0.00 C ATOM 345 CD1 ILE A 23 28.934 6.519 5.419 1.00 0.00 C ATOM 0 H ILE A 23 31.076 4.720 4.121 1.00 0.00 H new ATOM 0 HA ILE A 23 32.078 7.248 3.168 1.00 0.00 H new ATOM 0 HB ILE A 23 31.303 6.114 5.881 1.00 0.00 H new ATOM 0 HG12 ILE A 23 29.826 8.436 4.972 1.00 0.00 H new ATOM 0 HG13 ILE A 23 29.906 7.290 3.649 1.00 0.00 H new ATOM 0 HG21 ILE A 23 31.478 8.424 6.761 1.00 0.00 H new ATOM 0 HG22 ILE A 23 33.064 7.820 6.224 1.00 0.00 H new ATOM 0 HG23 ILE A 23 32.157 8.964 5.207 1.00 0.00 H new ATOM 0 HD11 ILE A 23 27.941 6.827 5.092 1.00 0.00 H new ATOM 0 HD12 ILE A 23 29.094 5.473 5.156 1.00 0.00 H new ATOM 0 HD13 ILE A 23 29.013 6.638 6.500 1.00 0.00 H new ATOM 357 N PHE A 24 34.168 5.348 4.813 1.00 0.00 N ATOM 358 CA PHE A 24 35.609 5.252 5.183 1.00 0.00 C ATOM 359 C PHE A 24 36.456 5.738 4.011 1.00 0.00 C ATOM 360 O PHE A 24 37.448 6.414 4.189 1.00 0.00 O ATOM 361 CB PHE A 24 35.960 3.797 5.495 1.00 0.00 C ATOM 362 CG PHE A 24 37.012 3.742 6.578 1.00 0.00 C ATOM 363 CD1 PHE A 24 37.878 4.825 6.774 1.00 0.00 C ATOM 364 CD2 PHE A 24 37.121 2.603 7.386 1.00 0.00 C ATOM 365 CE1 PHE A 24 38.853 4.768 7.777 1.00 0.00 C ATOM 366 CE2 PHE A 24 38.096 2.547 8.389 1.00 0.00 C ATOM 367 CZ PHE A 24 38.961 3.629 8.585 1.00 0.00 C ATOM 0 H PHE A 24 33.623 4.497 4.956 1.00 0.00 H new ATOM 0 HA PHE A 24 35.806 5.867 6.061 1.00 0.00 H new ATOM 0 HB2 PHE A 24 35.068 3.259 5.815 1.00 0.00 H new ATOM 0 HB3 PHE A 24 36.325 3.301 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 24 37.794 5.704 6.152 1.00 0.00 H new ATOM 0 HD2 PHE A 24 36.453 1.768 7.235 1.00 0.00 H new ATOM 0 HE1 PHE A 24 39.522 5.602 7.928 1.00 0.00 H new ATOM 0 HE2 PHE A 24 38.180 1.669 9.012 1.00 0.00 H new ATOM 0 HZ PHE A 24 39.712 3.586 9.360 1.00 0.00 H new ATOM 377 N ILE A 25 36.070 5.405 2.810 1.00 0.00 N ATOM 378 CA ILE A 25 36.854 5.859 1.627 1.00 0.00 C ATOM 379 C ILE A 25 36.623 7.357 1.423 1.00 0.00 C ATOM 380 O ILE A 25 37.550 8.111 1.208 1.00 0.00 O ATOM 381 CB ILE A 25 36.403 5.091 0.383 1.00 0.00 C ATOM 382 CG1 ILE A 25 36.358 3.594 0.700 1.00 0.00 C ATOM 383 CG2 ILE A 25 37.394 5.339 -0.756 1.00 0.00 C ATOM 384 CD1 ILE A 25 37.736 3.130 1.178 1.00 0.00 C ATOM 0 H ILE A 25 35.248 4.840 2.597 1.00 0.00 H new ATOM 0 HA ILE A 25 37.915 5.670 1.793 1.00 0.00 H new ATOM 0 HB ILE A 25 35.412 5.432 0.084 1.00 0.00 H new ATOM 0 HG12 ILE A 25 35.610 3.397 1.468 1.00 0.00 H new ATOM 0 HG13 ILE A 25 36.061 3.033 -0.186 1.00 0.00 H new ATOM 0 HG21 ILE A 25 37.073 4.792 -1.643 1.00 0.00 H new ATOM 0 HG22 ILE A 25 37.431 6.405 -0.981 1.00 0.00 H new ATOM 0 HG23 ILE A 25 38.385 4.997 -0.457 1.00 0.00 H new ATOM 0 HD11 ILE A 25 37.703 2.064 1.403 1.00 0.00 H new ATOM 0 HD12 ILE A 25 38.473 3.313 0.396 1.00 0.00 H new ATOM 0 HD13 ILE A 25 38.015 3.682 2.075 1.00 0.00 H new ATOM 396 N TYR A 26 35.395 7.802 1.506 1.00 0.00 N ATOM 397 CA TYR A 26 35.127 9.259 1.335 1.00 0.00 C ATOM 398 C TYR A 26 35.925 10.022 2.391 1.00 0.00 C ATOM 399 O TYR A 26 36.192 11.200 2.265 1.00 0.00 O ATOM 400 CB TYR A 26 33.633 9.531 1.529 1.00 0.00 C ATOM 401 CG TYR A 26 33.395 11.021 1.603 1.00 0.00 C ATOM 402 CD1 TYR A 26 33.641 11.711 2.796 1.00 0.00 C ATOM 403 CD2 TYR A 26 32.928 11.712 0.478 1.00 0.00 C ATOM 404 CE1 TYR A 26 33.420 13.092 2.865 1.00 0.00 C ATOM 405 CE2 TYR A 26 32.707 13.093 0.547 1.00 0.00 C ATOM 406 CZ TYR A 26 32.953 13.783 1.740 1.00 0.00 C ATOM 407 OH TYR A 26 32.736 15.145 1.808 1.00 0.00 O ATOM 0 H TYR A 26 34.574 7.224 1.683 1.00 0.00 H new ATOM 0 HA TYR A 26 35.420 9.580 0.336 1.00 0.00 H new ATOM 0 HB2 TYR A 26 33.065 9.102 0.704 1.00 0.00 H new ATOM 0 HB3 TYR A 26 33.281 9.050 2.442 1.00 0.00 H new ATOM 0 HD1 TYR A 26 34.001 11.178 3.663 1.00 0.00 H new ATOM 0 HD2 TYR A 26 32.738 11.180 -0.443 1.00 0.00 H new ATOM 0 HE1 TYR A 26 33.610 13.624 3.786 1.00 0.00 H new ATOM 0 HE2 TYR A 26 32.347 13.626 -0.320 1.00 0.00 H new ATOM 0 HH TYR A 26 32.414 15.469 0.941 1.00 0.00 H new ATOM 417 N PHE A 27 36.306 9.339 3.433 1.00 0.00 N ATOM 418 CA PHE A 27 37.089 9.975 4.520 1.00 0.00 C ATOM 419 C PHE A 27 38.578 9.820 4.221 1.00 0.00 C ATOM 420 O PHE A 27 39.395 10.637 4.595 1.00 0.00 O ATOM 421 CB PHE A 27 36.768 9.257 5.830 1.00 0.00 C ATOM 422 CG PHE A 27 36.095 10.216 6.782 1.00 0.00 C ATOM 423 CD1 PHE A 27 36.782 11.346 7.240 1.00 0.00 C ATOM 424 CD2 PHE A 27 34.781 9.976 7.204 1.00 0.00 C ATOM 425 CE1 PHE A 27 36.157 12.237 8.121 1.00 0.00 C ATOM 426 CE2 PHE A 27 34.156 10.867 8.085 1.00 0.00 C ATOM 427 CZ PHE A 27 34.844 11.997 8.544 1.00 0.00 C ATOM 0 H PHE A 27 36.103 8.350 3.577 1.00 0.00 H new ATOM 0 HA PHE A 27 36.838 11.033 4.596 1.00 0.00 H new ATOM 0 HB2 PHE A 27 36.118 8.403 5.638 1.00 0.00 H new ATOM 0 HB3 PHE A 27 37.683 8.868 6.277 1.00 0.00 H new ATOM 0 HD1 PHE A 27 37.795 11.531 6.914 1.00 0.00 H new ATOM 0 HD2 PHE A 27 34.250 9.104 6.850 1.00 0.00 H new ATOM 0 HE1 PHE A 27 36.687 13.109 8.474 1.00 0.00 H new ATOM 0 HE2 PHE A 27 33.143 10.683 8.411 1.00 0.00 H new ATOM 0 HZ PHE A 27 34.362 12.683 9.224 1.00 0.00 H new ATOM 437 N ALA A 28 38.926 8.753 3.565 1.00 0.00 N ATOM 438 CA ALA A 28 40.355 8.486 3.242 1.00 0.00 C ATOM 439 C ALA A 28 40.818 9.350 2.064 1.00 0.00 C ATOM 440 O ALA A 28 41.605 10.262 2.220 1.00 0.00 O ATOM 441 CB ALA A 28 40.506 7.010 2.868 1.00 0.00 C ATOM 0 H ALA A 28 38.273 8.043 3.233 1.00 0.00 H new ATOM 0 HA ALA A 28 40.966 8.728 4.112 1.00 0.00 H new ATOM 0 HB1 ALA A 28 41.549 6.800 2.629 1.00 0.00 H new ATOM 0 HB2 ALA A 28 40.194 6.388 3.707 1.00 0.00 H new ATOM 0 HB3 ALA A 28 39.883 6.789 2.001 1.00 0.00 H new ATOM 447 N ALA A 29 40.355 9.047 0.884 1.00 0.00 N ATOM 448 CA ALA A 29 40.785 9.820 -0.320 1.00 0.00 C ATOM 449 C ALA A 29 40.062 11.164 -0.395 1.00 0.00 C ATOM 450 O ALA A 29 40.670 12.199 -0.579 1.00 0.00 O ATOM 451 CB ALA A 29 40.443 9.013 -1.569 1.00 0.00 C ATOM 0 H ALA A 29 39.693 8.293 0.698 1.00 0.00 H new ATOM 0 HA ALA A 29 41.858 10.002 -0.253 1.00 0.00 H new ATOM 0 HB1 ALA A 29 40.752 9.567 -2.456 1.00 0.00 H new ATOM 0 HB2 ALA A 29 40.965 8.056 -1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 29 39.368 8.839 -1.606 1.00 0.00 H new ATOM 457 N LEU A 30 38.768 11.150 -0.283 1.00 0.00 N ATOM 458 CA LEU A 30 37.985 12.420 -0.378 1.00 0.00 C ATOM 459 C LEU A 30 38.076 13.229 0.925 1.00 0.00 C ATOM 460 O LEU A 30 37.261 14.096 1.173 1.00 0.00 O ATOM 461 CB LEU A 30 36.517 12.089 -0.654 1.00 0.00 C ATOM 462 CG LEU A 30 36.241 12.172 -2.156 1.00 0.00 C ATOM 463 CD1 LEU A 30 35.308 11.031 -2.566 1.00 0.00 C ATOM 464 CD2 LEU A 30 35.574 13.512 -2.474 1.00 0.00 C ATOM 0 H LEU A 30 38.210 10.310 -0.129 1.00 0.00 H new ATOM 0 HA LEU A 30 38.402 13.018 -1.188 1.00 0.00 H new ATOM 0 HB2 LEU A 30 36.285 11.089 -0.287 1.00 0.00 H new ATOM 0 HB3 LEU A 30 35.871 12.784 -0.117 1.00 0.00 H new ATOM 0 HG LEU A 30 37.179 12.090 -2.705 1.00 0.00 H new ATOM 0 HD11 LEU A 30 35.111 11.089 -3.636 1.00 0.00 H new ATOM 0 HD12 LEU A 30 35.779 10.075 -2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 30 34.369 11.114 -2.019 1.00 0.00 H new ATOM 0 HD21 LEU A 30 35.376 13.575 -3.544 1.00 0.00 H new ATOM 0 HD22 LEU A 30 34.635 13.590 -1.926 1.00 0.00 H new ATOM 0 HD23 LEU A 30 36.235 14.327 -2.179 1.00 0.00 H new ATOM 476 N SER A 31 39.042 12.966 1.762 1.00 0.00 N ATOM 477 CA SER A 31 39.139 13.741 3.032 1.00 0.00 C ATOM 478 C SER A 31 39.512 15.199 2.730 1.00 0.00 C ATOM 479 O SER A 31 38.848 16.112 3.179 1.00 0.00 O ATOM 480 CB SER A 31 40.193 13.115 3.948 1.00 0.00 C ATOM 481 OG SER A 31 39.620 12.872 5.226 1.00 0.00 O ATOM 0 H SER A 31 39.761 12.256 1.624 1.00 0.00 H new ATOM 0 HA SER A 31 38.172 13.718 3.534 1.00 0.00 H new ATOM 0 HB2 SER A 31 40.558 12.183 3.517 1.00 0.00 H new ATOM 0 HB3 SER A 31 41.051 13.780 4.042 1.00 0.00 H new ATOM 0 HG SER A 31 39.183 11.995 5.227 1.00 0.00 H new ATOM 487 N PRO A 32 40.571 15.369 1.984 1.00 0.00 N ATOM 488 CA PRO A 32 41.156 16.680 1.548 1.00 0.00 C ATOM 489 C PRO A 32 40.607 17.084 0.175 1.00 0.00 C ATOM 490 O PRO A 32 40.786 18.201 -0.271 1.00 0.00 O ATOM 491 CB PRO A 32 42.653 16.419 1.453 1.00 0.00 C ATOM 492 CG PRO A 32 42.815 14.925 1.224 1.00 0.00 C ATOM 493 CD PRO A 32 41.433 14.292 1.406 1.00 0.00 C ATOM 0 HA PRO A 32 40.913 17.488 2.238 1.00 0.00 H new ATOM 0 HB2 PRO A 32 43.095 16.987 0.635 1.00 0.00 H new ATOM 0 HB3 PRO A 32 43.160 16.729 2.367 1.00 0.00 H new ATOM 0 HG2 PRO A 32 43.201 14.728 0.224 1.00 0.00 H new ATOM 0 HG3 PRO A 32 43.529 14.502 1.930 1.00 0.00 H new ATOM 0 HD2 PRO A 32 41.035 13.939 0.455 1.00 0.00 H new ATOM 0 HD3 PRO A 32 41.481 13.429 2.071 1.00 0.00 H new ATOM 501 N ALA A 33 39.953 16.181 -0.501 1.00 0.00 N ATOM 502 CA ALA A 33 39.404 16.503 -1.851 1.00 0.00 C ATOM 503 C ALA A 33 38.232 17.475 -1.722 1.00 0.00 C ATOM 504 O ALA A 33 37.877 18.157 -2.663 1.00 0.00 O ATOM 505 CB ALA A 33 38.914 15.217 -2.510 1.00 0.00 C ATOM 0 H ALA A 33 39.774 15.231 -0.177 1.00 0.00 H new ATOM 0 HA ALA A 33 40.186 16.962 -2.456 1.00 0.00 H new ATOM 0 HB1 ALA A 33 38.511 15.445 -3.497 1.00 0.00 H new ATOM 0 HB2 ALA A 33 39.746 14.519 -2.609 1.00 0.00 H new ATOM 0 HB3 ALA A 33 38.135 14.767 -1.895 1.00 0.00 H new ATOM 511 N ILE A 34 37.625 17.525 -0.568 1.00 0.00 N ATOM 512 CA ILE A 34 36.458 18.437 -0.354 1.00 0.00 C ATOM 513 C ILE A 34 36.641 19.738 -1.143 1.00 0.00 C ATOM 514 O ILE A 34 35.759 20.162 -1.863 1.00 0.00 O ATOM 515 CB ILE A 34 36.333 18.763 1.135 1.00 0.00 C ATOM 516 CG1 ILE A 34 37.728 18.824 1.764 1.00 0.00 C ATOM 517 CG2 ILE A 34 35.510 17.674 1.826 1.00 0.00 C ATOM 518 CD1 ILE A 34 37.855 20.101 2.597 1.00 0.00 C ATOM 0 H ILE A 34 37.888 16.969 0.246 1.00 0.00 H new ATOM 0 HA ILE A 34 35.555 17.937 -0.703 1.00 0.00 H new ATOM 0 HB ILE A 34 35.838 19.727 1.256 1.00 0.00 H new ATOM 0 HG12 ILE A 34 37.894 17.949 2.392 1.00 0.00 H new ATOM 0 HG13 ILE A 34 38.491 18.807 0.986 1.00 0.00 H new ATOM 0 HG21 ILE A 34 35.420 17.905 2.888 1.00 0.00 H new ATOM 0 HG22 ILE A 34 34.517 17.629 1.379 1.00 0.00 H new ATOM 0 HG23 ILE A 34 36.006 16.711 1.705 1.00 0.00 H new ATOM 0 HD11 ILE A 34 38.848 20.146 3.045 1.00 0.00 H new ATOM 0 HD12 ILE A 34 37.707 20.970 1.956 1.00 0.00 H new ATOM 0 HD13 ILE A 34 37.101 20.098 3.384 1.00 0.00 H new ATOM 530 N THR A 35 37.772 20.375 -1.017 1.00 0.00 N ATOM 531 CA THR A 35 37.995 21.645 -1.763 1.00 0.00 C ATOM 532 C THR A 35 38.437 21.328 -3.192 1.00 0.00 C ATOM 533 O THR A 35 37.943 21.894 -4.147 1.00 0.00 O ATOM 534 CB THR A 35 39.078 22.468 -1.063 1.00 0.00 C ATOM 535 OG1 THR A 35 40.187 21.631 -0.764 1.00 0.00 O ATOM 536 CG2 THR A 35 38.515 23.058 0.231 1.00 0.00 C ATOM 0 H THR A 35 38.550 20.072 -0.431 1.00 0.00 H new ATOM 0 HA THR A 35 37.067 22.216 -1.789 1.00 0.00 H new ATOM 0 HB THR A 35 39.401 23.278 -1.717 1.00 0.00 H new ATOM 0 HG1 THR A 35 40.895 21.777 -1.426 1.00 0.00 H new ATOM 0 HG21 THR A 35 39.287 23.644 0.730 1.00 0.00 H new ATOM 0 HG22 THR A 35 37.665 23.700 -0.001 1.00 0.00 H new ATOM 0 HG23 THR A 35 38.191 22.251 0.888 1.00 0.00 H new ATOM 544 N PHE A 36 39.365 20.428 -3.344 1.00 0.00 N ATOM 545 CA PHE A 36 39.843 20.071 -4.707 1.00 0.00 C ATOM 546 C PHE A 36 38.946 18.981 -5.297 1.00 0.00 C ATOM 547 O PHE A 36 39.376 17.869 -5.528 1.00 0.00 O ATOM 548 CB PHE A 36 41.280 19.555 -4.623 1.00 0.00 C ATOM 549 CG PHE A 36 42.072 20.423 -3.676 1.00 0.00 C ATOM 550 CD1 PHE A 36 41.821 21.799 -3.609 1.00 0.00 C ATOM 551 CD2 PHE A 36 43.058 19.851 -2.864 1.00 0.00 C ATOM 552 CE1 PHE A 36 42.557 22.603 -2.730 1.00 0.00 C ATOM 553 CE2 PHE A 36 43.794 20.654 -1.986 1.00 0.00 C ATOM 554 CZ PHE A 36 43.544 22.030 -1.918 1.00 0.00 C ATOM 0 H PHE A 36 39.815 19.922 -2.581 1.00 0.00 H new ATOM 0 HA PHE A 36 39.808 20.954 -5.345 1.00 0.00 H new ATOM 0 HB2 PHE A 36 41.287 18.521 -4.278 1.00 0.00 H new ATOM 0 HB3 PHE A 36 41.739 19.564 -5.612 1.00 0.00 H new ATOM 0 HD1 PHE A 36 41.060 22.240 -4.235 1.00 0.00 H new ATOM 0 HD2 PHE A 36 43.251 18.790 -2.915 1.00 0.00 H new ATOM 0 HE1 PHE A 36 42.364 23.664 -2.678 1.00 0.00 H new ATOM 0 HE2 PHE A 36 44.555 20.212 -1.360 1.00 0.00 H new ATOM 0 HZ PHE A 36 44.112 22.649 -1.240 1.00 0.00 H new ATOM 564 N GLY A 37 37.703 19.290 -5.546 1.00 0.00 N ATOM 565 CA GLY A 37 36.784 18.268 -6.124 1.00 0.00 C ATOM 566 C GLY A 37 36.828 18.351 -7.651 1.00 0.00 C ATOM 567 O GLY A 37 37.269 19.331 -8.215 1.00 0.00 O ATOM 0 H GLY A 37 37.284 20.204 -5.375 1.00 0.00 H new ATOM 0 HA2 GLY A 37 37.077 17.271 -5.794 1.00 0.00 H new ATOM 0 HA3 GLY A 37 35.767 18.435 -5.769 1.00 0.00 H new ATOM 571 N GLY A 38 36.376 17.329 -8.324 1.00 0.00 N ATOM 572 CA GLY A 38 36.395 17.354 -9.815 1.00 0.00 C ATOM 573 C GLY A 38 36.419 15.922 -10.350 1.00 0.00 C ATOM 574 O GLY A 38 35.632 15.554 -11.200 1.00 0.00 O ATOM 0 H GLY A 38 35.995 16.479 -7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 38 35.517 17.879 -10.191 1.00 0.00 H new ATOM 0 HA3 GLY A 38 37.269 17.900 -10.169 1.00 0.00 H new ATOM 578 N LEU A 39 37.313 15.110 -9.859 1.00 0.00 N ATOM 579 CA LEU A 39 37.384 13.702 -10.340 1.00 0.00 C ATOM 580 C LEU A 39 36.474 12.826 -9.477 1.00 0.00 C ATOM 581 O LEU A 39 36.244 13.109 -8.318 1.00 0.00 O ATOM 582 CB LEU A 39 38.826 13.199 -10.234 1.00 0.00 C ATOM 583 CG LEU A 39 39.246 13.157 -8.763 1.00 0.00 C ATOM 584 CD1 LEU A 39 40.152 11.948 -8.525 1.00 0.00 C ATOM 585 CD2 LEU A 39 40.005 14.438 -8.412 1.00 0.00 C ATOM 0 H LEU A 39 37.998 15.360 -9.145 1.00 0.00 H new ATOM 0 HA LEU A 39 37.059 13.654 -11.379 1.00 0.00 H new ATOM 0 HB2 LEU A 39 38.909 12.206 -10.675 1.00 0.00 H new ATOM 0 HB3 LEU A 39 39.493 13.854 -10.795 1.00 0.00 H new ATOM 0 HG LEU A 39 38.359 13.076 -8.135 1.00 0.00 H new ATOM 0 HD11 LEU A 39 40.451 11.918 -7.477 1.00 0.00 H new ATOM 0 HD12 LEU A 39 39.613 11.034 -8.775 1.00 0.00 H new ATOM 0 HD13 LEU A 39 41.039 12.029 -9.153 1.00 0.00 H new ATOM 0 HD21 LEU A 39 40.304 14.408 -7.364 1.00 0.00 H new ATOM 0 HD22 LEU A 39 40.892 14.519 -9.040 1.00 0.00 H new ATOM 0 HD23 LEU A 39 39.360 15.301 -8.581 1.00 0.00 H new ATOM 597 N LEU A 40 35.954 11.765 -10.028 1.00 0.00 N ATOM 598 CA LEU A 40 35.062 10.878 -9.231 1.00 0.00 C ATOM 599 C LEU A 40 35.857 9.669 -8.735 1.00 0.00 C ATOM 600 O LEU A 40 35.464 8.997 -7.803 1.00 0.00 O ATOM 601 CB LEU A 40 33.902 10.398 -10.104 1.00 0.00 C ATOM 602 CG LEU A 40 32.772 9.885 -9.211 1.00 0.00 C ATOM 603 CD1 LEU A 40 31.635 10.907 -9.190 1.00 0.00 C ATOM 604 CD2 LEU A 40 32.252 8.554 -9.760 1.00 0.00 C ATOM 0 H LEU A 40 36.108 11.474 -10.994 1.00 0.00 H new ATOM 0 HA LEU A 40 34.669 11.433 -8.379 1.00 0.00 H new ATOM 0 HB2 LEU A 40 33.543 11.214 -10.731 1.00 0.00 H new ATOM 0 HB3 LEU A 40 34.239 9.606 -10.773 1.00 0.00 H new ATOM 0 HG LEU A 40 33.147 9.738 -8.198 1.00 0.00 H new ATOM 0 HD11 LEU A 40 30.829 10.542 -8.553 1.00 0.00 H new ATOM 0 HD12 LEU A 40 32.005 11.855 -8.799 1.00 0.00 H new ATOM 0 HD13 LEU A 40 31.259 11.054 -10.203 1.00 0.00 H new ATOM 0 HD21 LEU A 40 31.446 8.188 -9.124 1.00 0.00 H new ATOM 0 HD22 LEU A 40 31.877 8.700 -10.773 1.00 0.00 H new ATOM 0 HD23 LEU A 40 33.062 7.825 -9.775 1.00 0.00 H new ATOM 616 N GLY A 41 36.971 9.389 -9.351 1.00 0.00 N ATOM 617 CA GLY A 41 37.789 8.223 -8.914 1.00 0.00 C ATOM 618 C GLY A 41 38.598 7.693 -10.099 1.00 0.00 C ATOM 619 O GLY A 41 39.673 8.177 -10.395 1.00 0.00 O ATOM 0 H GLY A 41 37.351 9.916 -10.137 1.00 0.00 H new ATOM 0 HA2 GLY A 41 38.459 8.518 -8.106 1.00 0.00 H new ATOM 0 HA3 GLY A 41 37.142 7.438 -8.522 1.00 0.00 H new ATOM 623 N GLU A 42 38.089 6.703 -10.781 1.00 0.00 N ATOM 624 CA GLU A 42 38.825 6.143 -11.947 1.00 0.00 C ATOM 625 C GLU A 42 38.427 6.904 -13.212 1.00 0.00 C ATOM 626 O GLU A 42 38.571 6.414 -14.315 1.00 0.00 O ATOM 627 CB GLU A 42 38.471 4.663 -12.111 1.00 0.00 C ATOM 628 CG GLU A 42 36.996 4.533 -12.495 1.00 0.00 C ATOM 629 CD GLU A 42 36.880 3.822 -13.845 1.00 0.00 C ATOM 630 OE1 GLU A 42 37.437 4.325 -14.806 1.00 0.00 O ATOM 631 OE2 GLU A 42 36.234 2.788 -13.894 1.00 0.00 O ATOM 0 H GLU A 42 37.194 6.258 -10.579 1.00 0.00 H new ATOM 0 HA GLU A 42 39.898 6.244 -11.783 1.00 0.00 H new ATOM 0 HB2 GLU A 42 39.099 4.210 -12.878 1.00 0.00 H new ATOM 0 HB3 GLU A 42 38.665 4.126 -11.182 1.00 0.00 H new ATOM 0 HG2 GLU A 42 36.458 3.973 -11.730 1.00 0.00 H new ATOM 0 HG3 GLU A 42 36.536 5.519 -12.551 1.00 0.00 H new ATOM 638 N LYS A 43 37.927 8.099 -13.062 1.00 0.00 N ATOM 639 CA LYS A 43 37.520 8.891 -14.257 1.00 0.00 C ATOM 640 C LYS A 43 36.472 8.111 -15.055 1.00 0.00 C ATOM 641 O LYS A 43 36.648 7.980 -16.256 1.00 0.00 O ATOM 642 CB LYS A 43 38.744 9.149 -15.137 1.00 0.00 C ATOM 643 CG LYS A 43 39.884 9.698 -14.277 1.00 0.00 C ATOM 644 CD LYS A 43 40.861 10.481 -15.156 1.00 0.00 C ATOM 645 CE LYS A 43 41.134 11.846 -14.523 1.00 0.00 C ATOM 646 NZ LYS A 43 42.472 12.340 -14.957 1.00 0.00 N ATOM 647 OXT LYS A 43 35.513 7.658 -14.453 1.00 0.00 O ATOM 0 H LYS A 43 37.783 8.561 -12.164 1.00 0.00 H new ATOM 0 HA LYS A 43 37.096 9.842 -13.936 1.00 0.00 H new ATOM 0 HB2 LYS A 43 39.055 8.226 -15.626 1.00 0.00 H new ATOM 0 HB3 LYS A 43 38.495 9.859 -15.926 1.00 0.00 H new ATOM 0 HG2 LYS A 43 39.484 10.344 -13.496 1.00 0.00 H new ATOM 0 HG3 LYS A 43 40.404 8.879 -13.779 1.00 0.00 H new ATOM 0 HD2 LYS A 43 41.793 9.926 -15.266 1.00 0.00 H new ATOM 0 HD3 LYS A 43 40.446 10.608 -16.156 1.00 0.00 H new ATOM 0 HE2 LYS A 43 40.360 12.556 -14.817 1.00 0.00 H new ATOM 0 HE3 LYS A 43 41.099 11.768 -13.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 42.656 13.268 -14.526 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 43.205 11.667 -14.656 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 42.490 12.430 -15.993 1.00 0.00 H new TER 661 LYS A 43