USER MOD reduce.3.24.130724 H: found=0, std=0, add=480, rem=0, adj=13 USER MOD reduce.3.24.130724 removed 480 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 GLY N :NH3+ -174:sc= 0 (180deg=-0.0359) USER MOD Single : A 15 THR OG1 : rot 180:sc= 0.00146 USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : B 1 GLY N :NH3+ -130:sc= 0.111 (180deg=0) USER MOD Single : B 15 THR OG1 : rot -36:sc= 0.953 USER MOD Single : B 17 MET CE :methyl 160:sc= 0 (180deg=-0.678) USER MOD Single : B 22 TYR OH : rot 180:sc= 0 USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : C 1 GLY N :NH3+ -119:sc= 0.122 (180deg=0) USER MOD Single : C 15 THR OG1 : rot 180:sc= 0 USER MOD Single : C 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : C 22 TYR OH : rot 180:sc= 0 USER MOD Single : C 24 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 17.935 -4.913 7.423 1.00 0.00 N ATOM 2 CA GLY A 1 18.275 -4.830 5.971 1.00 0.00 C ATOM 3 C GLY A 1 16.993 -4.734 5.153 1.00 0.00 C ATOM 4 O GLY A 1 16.894 -3.913 4.244 1.00 0.00 O ATOM 0 H1 GLY A 1 18.808 -4.876 7.987 1.00 0.00 H new ATOM 0 H2 GLY A 1 17.321 -4.114 7.682 1.00 0.00 H new ATOM 0 H3 GLY A 1 17.438 -5.807 7.613 1.00 0.00 H new ATOM 0 HA2 GLY A 1 18.905 -3.960 5.783 1.00 0.00 H new ATOM 0 HA3 GLY A 1 18.846 -5.708 5.670 1.00 0.00 H new ATOM 10 N LEU A 2 16.013 -5.545 5.489 1.00 0.00 N ATOM 11 CA LEU A 2 14.736 -5.504 4.781 1.00 0.00 C ATOM 12 C LEU A 2 14.062 -4.141 4.982 1.00 0.00 C ATOM 13 O LEU A 2 13.589 -3.533 4.035 1.00 0.00 O ATOM 14 CB LEU A 2 13.815 -6.600 5.302 1.00 0.00 C ATOM 15 CG LEU A 2 12.478 -6.586 4.517 1.00 0.00 C ATOM 16 CD1 LEU A 2 12.722 -7.022 3.057 1.00 0.00 C ATOM 17 CD2 LEU A 2 11.470 -7.559 5.194 1.00 0.00 C ATOM 0 H LEU A 2 16.067 -6.236 6.238 1.00 0.00 H new ATOM 0 HA LEU A 2 14.924 -5.661 3.719 1.00 0.00 H new ATOM 0 HB2 LEU A 2 14.297 -7.572 5.198 1.00 0.00 H new ATOM 0 HB3 LEU A 2 13.624 -6.451 6.365 1.00 0.00 H new ATOM 0 HG LEU A 2 12.068 -5.576 4.522 1.00 0.00 H new ATOM 0 HD11 LEU A 2 11.779 -7.010 2.511 1.00 0.00 H new ATOM 0 HD12 LEU A 2 13.423 -6.335 2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 2 13.137 -8.030 3.043 1.00 0.00 H new ATOM 0 HD21 LEU A 2 10.530 -7.550 4.643 1.00 0.00 H new ATOM 0 HD22 LEU A 2 11.882 -8.568 5.193 1.00 0.00 H new ATOM 0 HD23 LEU A 2 11.292 -7.241 6.221 1.00 0.00 H new ATOM 29 N PHE A 3 14.030 -3.673 6.226 1.00 0.00 N ATOM 30 CA PHE A 3 13.415 -2.384 6.529 1.00 0.00 C ATOM 31 C PHE A 3 14.176 -1.257 5.845 1.00 0.00 C ATOM 32 O PHE A 3 13.570 -0.373 5.236 1.00 0.00 O ATOM 33 CB PHE A 3 13.388 -2.151 8.041 1.00 0.00 C ATOM 34 CG PHE A 3 12.440 -3.131 8.693 1.00 0.00 C ATOM 35 CD1 PHE A 3 11.064 -2.894 8.664 1.00 0.00 C ATOM 36 CD2 PHE A 3 12.942 -4.278 9.331 1.00 0.00 C ATOM 37 CE1 PHE A 3 10.185 -3.799 9.271 1.00 0.00 C ATOM 38 CE2 PHE A 3 12.063 -5.181 9.937 1.00 0.00 C ATOM 39 CZ PHE A 3 10.684 -4.942 9.908 1.00 0.00 C ATOM 0 H PHE A 3 14.418 -4.161 7.033 1.00 0.00 H new ATOM 0 HA PHE A 3 12.392 -2.395 6.154 1.00 0.00 H new ATOM 0 HB2 PHE A 3 14.390 -2.270 8.454 1.00 0.00 H new ATOM 0 HB3 PHE A 3 13.074 -1.130 8.255 1.00 0.00 H new ATOM 0 HD1 PHE A 3 10.678 -2.013 8.173 1.00 0.00 H new ATOM 0 HD2 PHE A 3 14.006 -4.462 9.353 1.00 0.00 H new ATOM 0 HE1 PHE A 3 9.121 -3.615 9.248 1.00 0.00 H new ATOM 0 HE2 PHE A 3 12.448 -6.063 10.427 1.00 0.00 H new ATOM 0 HZ PHE A 3 10.005 -5.639 10.377 1.00 0.00 H new ATOM 49 N GLY A 4 15.490 -1.284 5.943 1.00 0.00 N ATOM 50 CA GLY A 4 16.309 -0.250 5.324 1.00 0.00 C ATOM 51 C GLY A 4 16.083 -0.209 3.815 1.00 0.00 C ATOM 52 O GLY A 4 16.091 0.860 3.207 1.00 0.00 O ATOM 0 H GLY A 4 16.015 -2.003 6.441 1.00 0.00 H new ATOM 0 HA2 GLY A 4 16.068 0.720 5.759 1.00 0.00 H new ATOM 0 HA3 GLY A 4 17.362 -0.440 5.533 1.00 0.00 H new ATOM 56 N ALA A 5 15.874 -1.377 3.221 1.00 0.00 N ATOM 57 CA ALA A 5 15.642 -1.464 1.781 1.00 0.00 C ATOM 58 C ALA A 5 14.329 -0.782 1.405 1.00 0.00 C ATOM 59 O ALA A 5 14.265 -0.034 0.429 1.00 0.00 O ATOM 60 CB ALA A 5 15.600 -2.935 1.347 1.00 0.00 C ATOM 0 H ALA A 5 15.860 -2.273 3.708 1.00 0.00 H new ATOM 0 HA ALA A 5 16.460 -0.956 1.269 1.00 0.00 H new ATOM 0 HB1 ALA A 5 15.427 -2.992 0.272 1.00 0.00 H new ATOM 0 HB2 ALA A 5 16.550 -3.413 1.587 1.00 0.00 H new ATOM 0 HB3 ALA A 5 14.794 -3.446 1.872 1.00 0.00 H new ATOM 66 N ILE A 6 13.291 -1.041 2.180 1.00 0.00 N ATOM 67 CA ILE A 6 11.989 -0.444 1.912 1.00 0.00 C ATOM 68 C ILE A 6 12.038 1.068 2.126 1.00 0.00 C ATOM 69 O ILE A 6 11.535 1.837 1.308 1.00 0.00 O ATOM 70 CB ILE A 6 10.931 -1.058 2.838 1.00 0.00 C ATOM 71 CG1 ILE A 6 10.858 -2.575 2.597 1.00 0.00 C ATOM 72 CG2 ILE A 6 9.541 -0.433 2.549 1.00 0.00 C ATOM 73 CD1 ILE A 6 10.022 -3.240 3.712 1.00 0.00 C ATOM 0 H ILE A 6 13.320 -1.655 2.994 1.00 0.00 H new ATOM 0 HA ILE A 6 11.725 -0.645 0.874 1.00 0.00 H new ATOM 0 HB ILE A 6 11.209 -0.858 3.873 1.00 0.00 H new ATOM 0 HG12 ILE A 6 10.410 -2.777 1.624 1.00 0.00 H new ATOM 0 HG13 ILE A 6 11.862 -2.999 2.580 1.00 0.00 H new ATOM 0 HG21 ILE A 6 8.798 -0.876 3.212 1.00 0.00 H new ATOM 0 HG22 ILE A 6 9.583 0.643 2.719 1.00 0.00 H new ATOM 0 HG23 ILE A 6 9.264 -0.626 1.513 1.00 0.00 H new ATOM 0 HD11 ILE A 6 9.973 -4.315 3.538 1.00 0.00 H new ATOM 0 HD12 ILE A 6 10.488 -3.050 4.679 1.00 0.00 H new ATOM 0 HD13 ILE A 6 9.014 -2.825 3.708 1.00 0.00 H new ATOM 85 N ALA A 7 12.646 1.483 3.229 1.00 0.00 N ATOM 86 CA ALA A 7 12.751 2.902 3.540 1.00 0.00 C ATOM 87 C ALA A 7 13.629 3.613 2.518 1.00 0.00 C ATOM 88 O ALA A 7 13.284 4.692 2.024 1.00 0.00 O ATOM 89 CB ALA A 7 13.340 3.084 4.939 1.00 0.00 C ATOM 0 H ALA A 7 13.071 0.863 3.918 1.00 0.00 H new ATOM 0 HA ALA A 7 11.753 3.338 3.506 1.00 0.00 H new ATOM 0 HB1 ALA A 7 13.416 4.147 5.166 1.00 0.00 H new ATOM 0 HB2 ALA A 7 12.693 2.602 5.672 1.00 0.00 H new ATOM 0 HB3 ALA A 7 14.331 2.633 4.978 1.00 0.00 H new ATOM 95 N ALA A 8 14.760 3.005 2.203 1.00 0.00 N ATOM 96 CA ALA A 8 15.678 3.583 1.242 1.00 0.00 C ATOM 97 C ALA A 8 15.065 3.582 -0.150 1.00 0.00 C ATOM 98 O ALA A 8 15.390 4.427 -0.980 1.00 0.00 O ATOM 99 CB ALA A 8 16.983 2.795 1.228 1.00 0.00 C ATOM 0 H ALA A 8 15.062 2.114 2.598 1.00 0.00 H new ATOM 0 HA ALA A 8 15.881 4.613 1.536 1.00 0.00 H new ATOM 0 HB1 ALA A 8 17.667 3.236 0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 8 17.436 2.824 2.219 1.00 0.00 H new ATOM 0 HB3 ALA A 8 16.780 1.760 0.952 1.00 0.00 H new ATOM 105 N PHE A 9 14.167 2.629 -0.403 1.00 0.00 N ATOM 106 CA PHE A 9 13.515 2.539 -1.697 1.00 0.00 C ATOM 107 C PHE A 9 12.616 3.753 -1.934 1.00 0.00 C ATOM 108 O PHE A 9 12.581 4.305 -3.021 1.00 0.00 O ATOM 109 CB PHE A 9 12.678 1.253 -1.772 1.00 0.00 C ATOM 110 CG PHE A 9 11.783 1.297 -3.002 1.00 0.00 C ATOM 111 CD1 PHE A 9 12.341 1.175 -4.281 1.00 0.00 C ATOM 112 CD2 PHE A 9 10.401 1.460 -2.855 1.00 0.00 C ATOM 113 CE1 PHE A 9 11.514 1.218 -5.409 1.00 0.00 C ATOM 114 CE2 PHE A 9 9.577 1.501 -3.983 1.00 0.00 C ATOM 115 CZ PHE A 9 10.134 1.381 -5.260 1.00 0.00 C ATOM 0 H PHE A 9 13.881 1.917 0.269 1.00 0.00 H new ATOM 0 HA PHE A 9 14.283 2.518 -2.470 1.00 0.00 H new ATOM 0 HB2 PHE A 9 13.333 0.383 -1.817 1.00 0.00 H new ATOM 0 HB3 PHE A 9 12.072 1.149 -0.872 1.00 0.00 H new ATOM 0 HD1 PHE A 9 13.407 1.048 -4.396 1.00 0.00 H new ATOM 0 HD2 PHE A 9 9.971 1.554 -1.869 1.00 0.00 H new ATOM 0 HE1 PHE A 9 11.943 1.125 -6.396 1.00 0.00 H new ATOM 0 HE2 PHE A 9 8.510 1.625 -3.868 1.00 0.00 H new ATOM 0 HZ PHE A 9 9.497 1.414 -6.132 1.00 0.00 H new ATOM 125 N ILE A 10 11.900 4.149 -0.909 1.00 0.00 N ATOM 126 CA ILE A 10 11.004 5.294 -1.011 1.00 0.00 C ATOM 127 C ILE A 10 11.787 6.600 -1.083 1.00 0.00 C ATOM 128 O ILE A 10 11.316 7.583 -1.658 1.00 0.00 O ATOM 129 CB ILE A 10 10.073 5.334 0.194 1.00 0.00 C ATOM 130 CG1 ILE A 10 9.282 4.030 0.266 1.00 0.00 C ATOM 131 CG2 ILE A 10 9.098 6.515 0.051 1.00 0.00 C ATOM 132 CD1 ILE A 10 8.532 3.958 1.596 1.00 0.00 C ATOM 0 H ILE A 10 11.915 3.701 0.007 1.00 0.00 H new ATOM 0 HA ILE A 10 10.422 5.184 -1.926 1.00 0.00 H new ATOM 0 HB ILE A 10 10.661 5.456 1.104 1.00 0.00 H new ATOM 0 HG12 ILE A 10 8.577 3.974 -0.564 1.00 0.00 H new ATOM 0 HG13 ILE A 10 9.956 3.178 0.170 1.00 0.00 H new ATOM 0 HG21 ILE A 10 8.432 6.543 0.913 1.00 0.00 H new ATOM 0 HG22 ILE A 10 9.661 7.447 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 10 8.509 6.393 -0.858 1.00 0.00 H new ATOM 0 HD11 ILE A 10 7.968 3.027 1.646 1.00 0.00 H new ATOM 0 HD12 ILE A 10 9.246 3.994 2.419 1.00 0.00 H new ATOM 0 HD13 ILE A 10 7.846 4.802 1.673 1.00 0.00 H new ATOM 144 N GLU A 11 12.973 6.623 -0.478 1.00 0.00 N ATOM 145 CA GLU A 11 13.801 7.845 -0.458 1.00 0.00 C ATOM 146 C GLU A 11 14.800 7.886 -1.624 1.00 0.00 C ATOM 147 O GLU A 11 14.870 8.873 -2.355 1.00 0.00 O ATOM 148 CB GLU A 11 14.580 7.895 0.867 1.00 0.00 C ATOM 149 CG GLU A 11 13.789 8.690 1.903 1.00 0.00 C ATOM 150 CD GLU A 11 12.403 8.087 2.077 1.00 0.00 C ATOM 151 OE1 GLU A 11 12.301 6.873 2.054 1.00 0.00 O ATOM 152 OE2 GLU A 11 11.463 8.848 2.229 1.00 0.00 O ATOM 0 H GLU A 11 13.386 5.823 0.002 1.00 0.00 H new ATOM 0 HA GLU A 11 13.136 8.703 -0.557 1.00 0.00 H new ATOM 0 HB2 GLU A 11 14.760 6.884 1.232 1.00 0.00 H new ATOM 0 HB3 GLU A 11 15.555 8.356 0.709 1.00 0.00 H new ATOM 0 HG2 GLU A 11 14.318 8.687 2.856 1.00 0.00 H new ATOM 0 HG3 GLU A 11 13.705 9.730 1.588 1.00 0.00 H new ATOM 159 N GLY A 12 15.578 6.818 -1.776 1.00 0.00 N ATOM 160 CA GLY A 12 16.589 6.763 -2.847 1.00 0.00 C ATOM 161 C GLY A 12 16.170 5.833 -3.962 1.00 0.00 C ATOM 162 O GLY A 12 17.008 5.244 -4.636 1.00 0.00 O ATOM 0 H GLY A 12 15.536 5.987 -1.186 1.00 0.00 H new ATOM 0 HA2 GLY A 12 16.749 7.764 -3.248 1.00 0.00 H new ATOM 0 HA3 GLY A 12 17.541 6.430 -2.433 1.00 0.00 H new ATOM 166 N GLY A 13 14.870 5.711 -4.166 1.00 0.00 N ATOM 167 CA GLY A 13 14.348 4.851 -5.230 1.00 0.00 C ATOM 168 C GLY A 13 15.119 3.532 -5.299 1.00 0.00 C ATOM 169 O GLY A 13 15.528 2.988 -4.278 1.00 0.00 O ATOM 0 H GLY A 13 14.156 6.190 -3.617 1.00 0.00 H new ATOM 0 HA2 GLY A 13 13.291 4.650 -5.054 1.00 0.00 H new ATOM 0 HA3 GLY A 13 14.419 5.368 -6.187 1.00 0.00 H new ATOM 173 N TRP A 14 15.308 3.032 -6.508 1.00 0.00 N ATOM 174 CA TRP A 14 16.026 1.776 -6.701 1.00 0.00 C ATOM 175 C TRP A 14 17.410 1.830 -6.044 1.00 0.00 C ATOM 176 O TRP A 14 17.766 0.956 -5.258 1.00 0.00 O ATOM 177 CB TRP A 14 16.182 1.493 -8.194 1.00 0.00 C ATOM 178 CG TRP A 14 17.044 0.287 -8.383 1.00 0.00 C ATOM 179 CD1 TRP A 14 18.397 0.295 -8.395 1.00 0.00 C ATOM 180 CD2 TRP A 14 16.640 -1.094 -8.576 1.00 0.00 C ATOM 181 NE1 TRP A 14 18.847 -0.998 -8.588 1.00 0.00 N ATOM 182 CE2 TRP A 14 17.799 -1.890 -8.704 1.00 0.00 C ATOM 183 CE3 TRP A 14 15.384 -1.729 -8.652 1.00 0.00 C ATOM 184 CZ2 TRP A 14 17.724 -3.263 -8.901 1.00 0.00 C ATOM 185 CZ3 TRP A 14 15.307 -3.122 -8.851 1.00 0.00 C ATOM 186 CH2 TRP A 14 16.479 -3.885 -8.975 1.00 0.00 C ATOM 0 H TRP A 14 14.978 3.470 -7.368 1.00 0.00 H new ATOM 0 HA TRP A 14 15.450 0.978 -6.233 1.00 0.00 H new ATOM 0 HB2 TRP A 14 15.205 1.330 -8.649 1.00 0.00 H new ATOM 0 HB3 TRP A 14 16.627 2.353 -8.694 1.00 0.00 H new ATOM 0 HD1 TRP A 14 19.022 1.167 -8.274 1.00 0.00 H new ATOM 0 HE1 TRP A 14 19.831 -1.261 -8.638 1.00 0.00 H new ATOM 0 HE3 TRP A 14 14.479 -1.147 -8.558 1.00 0.00 H new ATOM 0 HZ2 TRP A 14 18.628 -3.847 -8.997 1.00 0.00 H new ATOM 0 HZ3 TRP A 14 14.343 -3.605 -8.908 1.00 0.00 H new ATOM 0 HH2 TRP A 14 16.416 -4.952 -9.127 1.00 0.00 H new ATOM 197 N THR A 15 18.175 2.853 -6.367 1.00 0.00 N ATOM 198 CA THR A 15 19.507 3.006 -5.801 1.00 0.00 C ATOM 199 C THR A 15 19.464 2.885 -4.281 1.00 0.00 C ATOM 200 O THR A 15 20.367 2.308 -3.672 1.00 0.00 O ATOM 201 CB THR A 15 20.085 4.376 -6.191 1.00 0.00 C ATOM 202 OG1 THR A 15 19.979 4.544 -7.604 1.00 0.00 O ATOM 203 CG2 THR A 15 21.580 4.465 -5.767 1.00 0.00 C ATOM 0 H THR A 15 17.902 3.591 -7.016 1.00 0.00 H new ATOM 0 HA THR A 15 20.143 2.214 -6.197 1.00 0.00 H new ATOM 0 HB THR A 15 19.526 5.161 -5.682 1.00 0.00 H new ATOM 0 HG1 THR A 15 20.345 5.417 -7.858 1.00 0.00 H new ATOM 0 HG21 THR A 15 21.980 5.439 -6.048 1.00 0.00 H new ATOM 0 HG22 THR A 15 21.660 4.337 -4.688 1.00 0.00 H new ATOM 0 HG23 THR A 15 22.148 3.681 -6.269 1.00 0.00 H new ATOM 211 N GLY A 16 18.429 3.429 -3.678 1.00 0.00 N ATOM 212 CA GLY A 16 18.293 3.376 -2.231 1.00 0.00 C ATOM 213 C GLY A 16 18.030 1.949 -1.754 1.00 0.00 C ATOM 214 O GLY A 16 18.532 1.532 -0.713 1.00 0.00 O ATOM 0 H GLY A 16 17.671 3.912 -4.161 1.00 0.00 H new ATOM 0 HA2 GLY A 16 19.201 3.757 -1.763 1.00 0.00 H new ATOM 0 HA3 GLY A 16 17.475 4.024 -1.916 1.00 0.00 H new ATOM 218 N MET A 17 17.246 1.207 -2.523 1.00 0.00 N ATOM 219 CA MET A 17 16.924 -0.172 -2.162 1.00 0.00 C ATOM 220 C MET A 17 18.191 -0.991 -1.969 1.00 0.00 C ATOM 221 O MET A 17 18.345 -1.677 -0.960 1.00 0.00 O ATOM 222 CB MET A 17 16.062 -0.813 -3.256 1.00 0.00 C ATOM 223 CG MET A 17 15.788 -2.283 -2.912 1.00 0.00 C ATOM 224 SD MET A 17 14.327 -2.851 -3.819 1.00 0.00 S ATOM 225 CE MET A 17 15.175 -3.340 -5.339 1.00 0.00 C ATOM 0 H MET A 17 16.823 1.530 -3.393 1.00 0.00 H new ATOM 0 HA MET A 17 16.371 -0.157 -1.223 1.00 0.00 H new ATOM 0 HB2 MET A 17 15.121 -0.272 -3.353 1.00 0.00 H new ATOM 0 HB3 MET A 17 16.570 -0.744 -4.218 1.00 0.00 H new ATOM 0 HG2 MET A 17 16.651 -2.896 -3.171 1.00 0.00 H new ATOM 0 HG3 MET A 17 15.629 -2.393 -1.839 1.00 0.00 H new ATOM 0 HE1 MET A 17 14.448 -3.728 -6.053 1.00 0.00 H new ATOM 0 HE2 MET A 17 15.680 -2.475 -5.769 1.00 0.00 H new ATOM 0 HE3 MET A 17 15.910 -4.113 -5.113 1.00 0.00 H new ATOM 235 N ILE A 18 19.092 -0.917 -2.933 1.00 0.00 N ATOM 236 CA ILE A 18 20.341 -1.661 -2.851 1.00 0.00 C ATOM 237 C ILE A 18 21.164 -1.201 -1.652 1.00 0.00 C ATOM 238 O ILE A 18 21.606 -2.017 -0.843 1.00 0.00 O ATOM 239 CB ILE A 18 21.151 -1.464 -4.129 1.00 0.00 C ATOM 240 CG1 ILE A 18 20.296 -1.864 -5.342 1.00 0.00 C ATOM 241 CG2 ILE A 18 22.406 -2.343 -4.081 1.00 0.00 C ATOM 242 CD1 ILE A 18 21.009 -1.450 -6.644 1.00 0.00 C ATOM 0 H ILE A 18 18.986 -0.354 -3.777 1.00 0.00 H new ATOM 0 HA ILE A 18 20.102 -2.718 -2.730 1.00 0.00 H new ATOM 0 HB ILE A 18 21.443 -0.417 -4.216 1.00 0.00 H new ATOM 0 HG12 ILE A 18 20.124 -2.940 -5.338 1.00 0.00 H new ATOM 0 HG13 ILE A 18 19.319 -1.384 -5.284 1.00 0.00 H new ATOM 0 HG21 ILE A 18 22.984 -2.202 -4.994 1.00 0.00 H new ATOM 0 HG22 ILE A 18 23.013 -2.063 -3.220 1.00 0.00 H new ATOM 0 HG23 ILE A 18 22.114 -3.390 -3.995 1.00 0.00 H new ATOM 0 HD11 ILE A 18 20.398 -1.736 -7.500 1.00 0.00 H new ATOM 0 HD12 ILE A 18 21.158 -0.370 -6.650 1.00 0.00 H new ATOM 0 HD13 ILE A 18 21.975 -1.950 -6.704 1.00 0.00 H new ATOM 254 N ASP A 19 21.373 0.102 -1.548 1.00 0.00 N ATOM 255 CA ASP A 19 22.156 0.653 -0.445 1.00 0.00 C ATOM 256 C ASP A 19 21.562 0.242 0.898 1.00 0.00 C ATOM 257 O ASP A 19 22.282 -0.173 1.802 1.00 0.00 O ATOM 258 CB ASP A 19 22.192 2.177 -0.543 1.00 0.00 C ATOM 259 CG ASP A 19 23.180 2.742 0.470 1.00 0.00 C ATOM 260 OD1 ASP A 19 23.125 2.328 1.617 1.00 0.00 O ATOM 261 OD2 ASP A 19 23.979 3.581 0.086 1.00 0.00 O ATOM 0 H ASP A 19 21.016 0.795 -2.206 1.00 0.00 H new ATOM 0 HA ASP A 19 23.170 0.259 -0.514 1.00 0.00 H new ATOM 0 HB2 ASP A 19 22.480 2.478 -1.550 1.00 0.00 H new ATOM 0 HB3 ASP A 19 21.198 2.585 -0.360 1.00 0.00 H new ATOM 266 N GLY A 20 20.247 0.360 1.018 1.00 0.00 N ATOM 267 CA GLY A 20 19.569 0.000 2.256 1.00 0.00 C ATOM 268 C GLY A 20 19.725 -1.486 2.554 1.00 0.00 C ATOM 269 O GLY A 20 19.892 -1.883 3.707 1.00 0.00 O ATOM 0 H GLY A 20 19.632 0.700 0.279 1.00 0.00 H new ATOM 0 HA2 GLY A 20 19.977 0.584 3.081 1.00 0.00 H new ATOM 0 HA3 GLY A 20 18.511 0.250 2.181 1.00 0.00 H new ATOM 273 N TRP A 21 19.667 -2.305 1.509 1.00 0.00 N ATOM 274 CA TRP A 21 19.801 -3.748 1.674 1.00 0.00 C ATOM 275 C TRP A 21 21.176 -4.099 2.235 1.00 0.00 C ATOM 276 O TRP A 21 21.295 -4.888 3.172 1.00 0.00 O ATOM 277 CB TRP A 21 19.601 -4.448 0.327 1.00 0.00 C ATOM 278 CG TRP A 21 19.770 -5.925 0.500 1.00 0.00 C ATOM 279 CD1 TRP A 21 20.831 -6.641 0.062 1.00 0.00 C ATOM 280 CD2 TRP A 21 18.876 -6.871 1.147 1.00 0.00 C ATOM 281 NE1 TRP A 21 20.643 -7.969 0.404 1.00 0.00 N ATOM 282 CE2 TRP A 21 19.450 -8.160 1.074 1.00 0.00 C ATOM 283 CE3 TRP A 21 17.629 -6.735 1.788 1.00 0.00 C ATOM 284 CZ2 TRP A 21 18.818 -9.273 1.612 1.00 0.00 C ATOM 285 CZ3 TRP A 21 16.986 -7.864 2.335 1.00 0.00 C ATOM 286 CH2 TRP A 21 17.584 -9.131 2.244 1.00 0.00 C ATOM 0 H TRP A 21 19.529 -1.998 0.546 1.00 0.00 H new ATOM 0 HA TRP A 21 19.039 -4.087 2.376 1.00 0.00 H new ATOM 0 HB2 TRP A 21 18.608 -4.229 -0.065 1.00 0.00 H new ATOM 0 HB3 TRP A 21 20.321 -4.072 -0.400 1.00 0.00 H new ATOM 0 HD1 TRP A 21 21.684 -6.242 -0.467 1.00 0.00 H new ATOM 0 HE1 TRP A 21 21.304 -8.715 0.188 1.00 0.00 H new ATOM 0 HE3 TRP A 21 17.164 -5.763 1.861 1.00 0.00 H new ATOM 0 HZ2 TRP A 21 19.281 -10.246 1.541 1.00 0.00 H new ATOM 0 HZ3 TRP A 21 16.030 -7.754 2.826 1.00 0.00 H new ATOM 0 HH2 TRP A 21 17.089 -9.994 2.663 1.00 0.00 H new ATOM 297 N TYR A 22 22.213 -3.504 1.656 1.00 0.00 N ATOM 298 CA TYR A 22 23.578 -3.753 2.106 1.00 0.00 C ATOM 299 C TYR A 22 23.861 -3.001 3.400 1.00 0.00 C ATOM 300 O TYR A 22 24.597 -3.482 4.253 1.00 0.00 O ATOM 301 CB TYR A 22 24.580 -3.316 1.015 1.00 0.00 C ATOM 302 CG TYR A 22 24.750 -4.437 0.006 1.00 0.00 C ATOM 303 CD1 TYR A 22 23.830 -4.586 -1.037 1.00 0.00 C ATOM 304 CD2 TYR A 22 25.826 -5.323 0.122 1.00 0.00 C ATOM 305 CE1 TYR A 22 23.986 -5.622 -1.965 1.00 0.00 C ATOM 306 CE2 TYR A 22 25.983 -6.358 -0.805 1.00 0.00 C ATOM 307 CZ TYR A 22 25.062 -6.507 -1.849 1.00 0.00 C ATOM 308 OH TYR A 22 25.217 -7.528 -2.762 1.00 0.00 O ATOM 0 H TYR A 22 22.136 -2.849 0.878 1.00 0.00 H new ATOM 0 HA TYR A 22 23.692 -4.821 2.292 1.00 0.00 H new ATOM 0 HB2 TYR A 22 24.222 -2.415 0.517 1.00 0.00 H new ATOM 0 HB3 TYR A 22 25.541 -3.070 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 22 22.999 -3.902 -1.126 1.00 0.00 H new ATOM 0 HD2 TYR A 22 26.536 -5.208 0.928 1.00 0.00 H new ATOM 0 HE1 TYR A 22 23.276 -5.738 -2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 22 26.814 -7.042 -0.716 1.00 0.00 H new ATOM 0 HH TYR A 22 26.016 -8.050 -2.537 1.00 0.00 H new ATOM 318 N GLY A 23 23.273 -1.815 3.535 1.00 0.00 N ATOM 319 CA GLY A 23 23.477 -1.006 4.733 1.00 0.00 C ATOM 320 C GLY A 23 23.361 -1.858 5.997 1.00 0.00 C ATOM 321 O GLY A 23 22.281 -1.985 6.574 1.00 0.00 O ATOM 0 H GLY A 23 22.658 -1.396 2.838 1.00 0.00 H new ATOM 0 HA2 GLY A 23 24.460 -0.537 4.696 1.00 0.00 H new ATOM 0 HA3 GLY A 23 22.741 -0.203 4.763 1.00 0.00 H new ATOM 325 N SER A 24 24.476 -2.438 6.418 1.00 0.00 N ATOM 326 CA SER A 24 24.485 -3.274 7.611 1.00 0.00 C ATOM 327 C SER A 24 23.845 -2.535 8.785 1.00 0.00 C ATOM 328 O SER A 24 22.951 -3.099 9.397 1.00 0.00 O ATOM 329 CB SER A 24 25.921 -3.656 7.969 1.00 0.00 C ATOM 330 OG SER A 24 25.987 -4.003 9.351 1.00 0.00 O ATOM 0 H SER A 24 25.380 -2.347 5.955 1.00 0.00 H new ATOM 0 HA SER A 24 23.910 -4.177 7.406 1.00 0.00 H new ATOM 0 HB2 SER A 24 26.250 -4.495 7.356 1.00 0.00 H new ATOM 0 HB3 SER A 24 26.594 -2.825 7.759 1.00 0.00 H new ATOM 0 HG SER A 24 26.907 -4.250 9.583 1.00 0.00 H new TER 336 SER A 24 ATOM 337 N GLY B 1 39.094 -3.542 5.997 1.00 0.00 N ATOM 338 CA GLY B 1 38.340 -4.827 6.072 1.00 0.00 C ATOM 339 C GLY B 1 37.056 -4.709 5.267 1.00 0.00 C ATOM 340 O GLY B 1 36.931 -3.842 4.404 1.00 0.00 O ATOM 0 H1 GLY B 1 40.082 -3.734 5.734 1.00 0.00 H new ATOM 0 H2 GLY B 1 38.659 -2.925 5.282 1.00 0.00 H new ATOM 0 H3 GLY B 1 39.068 -3.070 6.923 1.00 0.00 H new ATOM 0 HA2 GLY B 1 38.951 -5.643 5.685 1.00 0.00 H new ATOM 0 HA3 GLY B 1 38.110 -5.066 7.110 1.00 0.00 H new ATOM 346 N LEU B 2 36.105 -5.585 5.551 1.00 0.00 N ATOM 347 CA LEU B 2 34.833 -5.568 4.843 1.00 0.00 C ATOM 348 C LEU B 2 34.143 -4.219 5.014 1.00 0.00 C ATOM 349 O LEU B 2 33.714 -3.600 4.038 1.00 0.00 O ATOM 350 CB LEU B 2 33.922 -6.678 5.383 1.00 0.00 C ATOM 351 CG LEU B 2 32.553 -6.632 4.662 1.00 0.00 C ATOM 352 CD1 LEU B 2 32.722 -7.043 3.188 1.00 0.00 C ATOM 353 CD2 LEU B 2 31.576 -7.598 5.359 1.00 0.00 C ATOM 0 H LEU B 2 36.188 -6.312 6.261 1.00 0.00 H new ATOM 0 HA LEU B 2 35.025 -5.735 3.783 1.00 0.00 H new ATOM 0 HB2 LEU B 2 34.390 -7.651 5.232 1.00 0.00 H new ATOM 0 HB3 LEU B 2 33.782 -6.555 6.457 1.00 0.00 H new ATOM 0 HG LEU B 2 32.157 -5.617 4.705 1.00 0.00 H new ATOM 0 HD11 LEU B 2 31.754 -7.008 2.687 1.00 0.00 H new ATOM 0 HD12 LEU B 2 33.410 -6.356 2.695 1.00 0.00 H new ATOM 0 HD13 LEU B 2 33.121 -8.056 3.136 1.00 0.00 H new ATOM 0 HD21 LEU B 2 30.611 -7.567 4.853 1.00 0.00 H new ATOM 0 HD22 LEU B 2 31.975 -8.611 5.318 1.00 0.00 H new ATOM 0 HD23 LEU B 2 31.450 -7.300 6.400 1.00 0.00 H new ATOM 365 N PHE B 3 34.036 -3.771 6.256 1.00 0.00 N ATOM 366 CA PHE B 3 33.393 -2.496 6.547 1.00 0.00 C ATOM 367 C PHE B 3 34.148 -1.352 5.885 1.00 0.00 C ATOM 368 O PHE B 3 33.547 -0.461 5.284 1.00 0.00 O ATOM 369 CB PHE B 3 33.351 -2.269 8.058 1.00 0.00 C ATOM 370 CG PHE B 3 32.567 -3.386 8.713 1.00 0.00 C ATOM 371 CD1 PHE B 3 31.166 -3.379 8.669 1.00 0.00 C ATOM 372 CD2 PHE B 3 33.242 -4.427 9.364 1.00 0.00 C ATOM 373 CE1 PHE B 3 30.441 -4.414 9.275 1.00 0.00 C ATOM 374 CE2 PHE B 3 32.517 -5.460 9.970 1.00 0.00 C ATOM 375 CZ PHE B 3 31.118 -5.454 9.926 1.00 0.00 C ATOM 0 H PHE B 3 34.384 -4.268 7.076 1.00 0.00 H new ATOM 0 HA PHE B 3 32.378 -2.524 6.152 1.00 0.00 H new ATOM 0 HB2 PHE B 3 34.364 -2.236 8.460 1.00 0.00 H new ATOM 0 HB3 PHE B 3 32.889 -1.307 8.280 1.00 0.00 H new ATOM 0 HD1 PHE B 3 30.645 -2.576 8.168 1.00 0.00 H new ATOM 0 HD2 PHE B 3 34.321 -4.433 9.398 1.00 0.00 H new ATOM 0 HE1 PHE B 3 29.362 -4.410 9.240 1.00 0.00 H new ATOM 0 HE2 PHE B 3 33.038 -6.262 10.472 1.00 0.00 H new ATOM 0 HZ PHE B 3 30.560 -6.251 10.394 1.00 0.00 H new ATOM 385 N GLY B 4 35.471 -1.382 6.003 1.00 0.00 N ATOM 386 CA GLY B 4 36.303 -0.342 5.417 1.00 0.00 C ATOM 387 C GLY B 4 36.081 -0.243 3.916 1.00 0.00 C ATOM 388 O GLY B 4 36.031 0.858 3.359 1.00 0.00 O ATOM 0 H GLY B 4 35.986 -2.111 6.496 1.00 0.00 H new ATOM 0 HA2 GLY B 4 36.076 0.616 5.885 1.00 0.00 H new ATOM 0 HA3 GLY B 4 37.353 -0.555 5.619 1.00 0.00 H new ATOM 392 N ALA B 5 35.953 -1.392 3.260 1.00 0.00 N ATOM 393 CA ALA B 5 35.744 -1.409 1.818 1.00 0.00 C ATOM 394 C ALA B 5 34.418 -0.751 1.460 1.00 0.00 C ATOM 395 O ALA B 5 34.337 0.026 0.514 1.00 0.00 O ATOM 396 CB ALA B 5 35.769 -2.852 1.301 1.00 0.00 C ATOM 0 H ALA B 5 35.990 -2.312 3.698 1.00 0.00 H new ATOM 0 HA ALA B 5 36.549 -0.846 1.346 1.00 0.00 H new ATOM 0 HB1 ALA B 5 35.612 -2.855 0.222 1.00 0.00 H new ATOM 0 HB2 ALA B 5 36.735 -3.303 1.528 1.00 0.00 H new ATOM 0 HB3 ALA B 5 34.978 -3.425 1.784 1.00 0.00 H new ATOM 402 N ILE B 6 33.389 -1.062 2.221 1.00 0.00 N ATOM 403 CA ILE B 6 32.072 -0.487 1.973 1.00 0.00 C ATOM 404 C ILE B 6 32.100 1.024 2.195 1.00 0.00 C ATOM 405 O ILE B 6 31.523 1.790 1.411 1.00 0.00 O ATOM 406 CB ILE B 6 31.032 -1.129 2.905 1.00 0.00 C ATOM 407 CG1 ILE B 6 30.838 -2.604 2.508 1.00 0.00 C ATOM 408 CG2 ILE B 6 29.681 -0.374 2.787 1.00 0.00 C ATOM 409 CD1 ILE B 6 29.994 -3.327 3.579 1.00 0.00 C ATOM 0 H ILE B 6 33.432 -1.704 3.012 1.00 0.00 H new ATOM 0 HA ILE B 6 31.797 -0.686 0.937 1.00 0.00 H new ATOM 0 HB ILE B 6 31.382 -1.070 3.935 1.00 0.00 H new ATOM 0 HG12 ILE B 6 30.344 -2.667 1.539 1.00 0.00 H new ATOM 0 HG13 ILE B 6 31.807 -3.093 2.404 1.00 0.00 H new ATOM 0 HG21 ILE B 6 28.948 -0.834 3.450 1.00 0.00 H new ATOM 0 HG22 ILE B 6 29.821 0.669 3.069 1.00 0.00 H new ATOM 0 HG23 ILE B 6 29.323 -0.427 1.759 1.00 0.00 H new ATOM 0 HD11 ILE B 6 29.860 -4.370 3.293 1.00 0.00 H new ATOM 0 HD12 ILE B 6 30.506 -3.277 4.540 1.00 0.00 H new ATOM 0 HD13 ILE B 6 29.020 -2.845 3.661 1.00 0.00 H new ATOM 421 N ALA B 7 32.767 1.447 3.258 1.00 0.00 N ATOM 422 CA ALA B 7 32.860 2.870 3.574 1.00 0.00 C ATOM 423 C ALA B 7 33.623 3.611 2.482 1.00 0.00 C ATOM 424 O ALA B 7 33.175 4.649 1.992 1.00 0.00 O ATOM 425 CB ALA B 7 33.566 3.059 4.925 1.00 0.00 C ATOM 0 H ALA B 7 33.250 0.833 3.914 1.00 0.00 H new ATOM 0 HA ALA B 7 31.852 3.280 3.634 1.00 0.00 H new ATOM 0 HB1 ALA B 7 33.632 4.122 5.155 1.00 0.00 H new ATOM 0 HB2 ALA B 7 32.998 2.553 5.706 1.00 0.00 H new ATOM 0 HB3 ALA B 7 34.569 2.636 4.874 1.00 0.00 H new ATOM 431 N ALA B 8 34.771 3.073 2.105 1.00 0.00 N ATOM 432 CA ALA B 8 35.589 3.687 1.068 1.00 0.00 C ATOM 433 C ALA B 8 34.853 3.672 -0.269 1.00 0.00 C ATOM 434 O ALA B 8 34.988 4.590 -1.069 1.00 0.00 O ATOM 435 CB ALA B 8 36.920 2.929 0.934 1.00 0.00 C ATOM 0 H ALA B 8 35.158 2.215 2.499 1.00 0.00 H new ATOM 0 HA ALA B 8 35.788 4.721 1.349 1.00 0.00 H new ATOM 0 HB1 ALA B 8 37.527 3.394 0.157 1.00 0.00 H new ATOM 0 HB2 ALA B 8 37.456 2.965 1.882 1.00 0.00 H new ATOM 0 HB3 ALA B 8 36.722 1.891 0.668 1.00 0.00 H new ATOM 441 N PHE B 9 34.081 2.628 -0.500 1.00 0.00 N ATOM 442 CA PHE B 9 33.338 2.510 -1.743 1.00 0.00 C ATOM 443 C PHE B 9 32.543 3.784 -2.013 1.00 0.00 C ATOM 444 O PHE B 9 32.613 4.351 -3.104 1.00 0.00 O ATOM 445 CB PHE B 9 32.376 1.318 -1.669 1.00 0.00 C ATOM 446 CG PHE B 9 31.834 1.015 -3.053 1.00 0.00 C ATOM 447 CD1 PHE B 9 32.662 0.422 -4.009 1.00 0.00 C ATOM 448 CD2 PHE B 9 30.504 1.326 -3.375 1.00 0.00 C ATOM 449 CE1 PHE B 9 32.168 0.138 -5.285 1.00 0.00 C ATOM 450 CE2 PHE B 9 30.010 1.041 -4.653 1.00 0.00 C ATOM 451 CZ PHE B 9 30.842 0.448 -5.607 1.00 0.00 C ATOM 0 H PHE B 9 33.951 1.853 0.151 1.00 0.00 H new ATOM 0 HA PHE B 9 34.049 2.355 -2.554 1.00 0.00 H new ATOM 0 HB2 PHE B 9 32.893 0.445 -1.271 1.00 0.00 H new ATOM 0 HB3 PHE B 9 31.556 1.542 -0.987 1.00 0.00 H new ATOM 0 HD1 PHE B 9 33.686 0.183 -3.762 1.00 0.00 H new ATOM 0 HD2 PHE B 9 29.862 1.785 -2.637 1.00 0.00 H new ATOM 0 HE1 PHE B 9 32.810 -0.321 -6.023 1.00 0.00 H new ATOM 0 HE2 PHE B 9 28.986 1.279 -4.902 1.00 0.00 H new ATOM 0 HZ PHE B 9 30.461 0.229 -6.594 1.00 0.00 H new ATOM 461 N ILE B 10 31.780 4.228 -1.014 1.00 0.00 N ATOM 462 CA ILE B 10 30.967 5.436 -1.166 1.00 0.00 C ATOM 463 C ILE B 10 31.803 6.691 -0.925 1.00 0.00 C ATOM 464 O ILE B 10 31.918 7.553 -1.796 1.00 0.00 O ATOM 465 CB ILE B 10 29.807 5.407 -0.172 1.00 0.00 C ATOM 466 CG1 ILE B 10 29.053 4.072 -0.301 1.00 0.00 C ATOM 467 CG2 ILE B 10 28.846 6.563 -0.476 1.00 0.00 C ATOM 468 CD1 ILE B 10 28.045 3.928 0.851 1.00 0.00 C ATOM 0 H ILE B 10 31.707 3.777 -0.102 1.00 0.00 H new ATOM 0 HA ILE B 10 30.583 5.461 -2.186 1.00 0.00 H new ATOM 0 HB ILE B 10 30.195 5.510 0.841 1.00 0.00 H new ATOM 0 HG12 ILE B 10 28.533 4.029 -1.258 1.00 0.00 H new ATOM 0 HG13 ILE B 10 29.759 3.242 -0.284 1.00 0.00 H new ATOM 0 HG21 ILE B 10 28.018 6.544 0.232 1.00 0.00 H new ATOM 0 HG22 ILE B 10 29.377 7.511 -0.387 1.00 0.00 H new ATOM 0 HG23 ILE B 10 28.459 6.457 -1.490 1.00 0.00 H new ATOM 0 HD11 ILE B 10 27.514 2.981 0.754 1.00 0.00 H new ATOM 0 HD12 ILE B 10 28.575 3.951 1.803 1.00 0.00 H new ATOM 0 HD13 ILE B 10 27.330 4.750 0.814 1.00 0.00 H new ATOM 480 N GLU B 11 32.381 6.788 0.269 1.00 0.00 N ATOM 481 CA GLU B 11 33.200 7.946 0.625 1.00 0.00 C ATOM 482 C GLU B 11 34.530 7.922 -0.122 1.00 0.00 C ATOM 483 O GLU B 11 34.912 8.902 -0.759 1.00 0.00 O ATOM 484 CB GLU B 11 33.463 7.957 2.142 1.00 0.00 C ATOM 485 CG GLU B 11 32.194 8.398 2.887 1.00 0.00 C ATOM 486 CD GLU B 11 31.119 7.325 2.767 1.00 0.00 C ATOM 487 OE1 GLU B 11 31.477 6.160 2.724 1.00 0.00 O ATOM 488 OE2 GLU B 11 29.954 7.684 2.722 1.00 0.00 O ATOM 0 H GLU B 11 32.299 6.085 1.003 1.00 0.00 H new ATOM 0 HA GLU B 11 32.657 8.847 0.341 1.00 0.00 H new ATOM 0 HB2 GLU B 11 33.765 6.964 2.475 1.00 0.00 H new ATOM 0 HB3 GLU B 11 34.285 8.634 2.373 1.00 0.00 H new ATOM 0 HG2 GLU B 11 32.423 8.579 3.937 1.00 0.00 H new ATOM 0 HG3 GLU B 11 31.828 9.338 2.474 1.00 0.00 H new ATOM 495 N GLY B 12 35.231 6.802 -0.038 1.00 0.00 N ATOM 496 CA GLY B 12 36.518 6.671 -0.710 1.00 0.00 C ATOM 497 C GLY B 12 36.337 6.583 -2.215 1.00 0.00 C ATOM 498 O GLY B 12 37.272 6.249 -2.943 1.00 0.00 O ATOM 0 H GLY B 12 34.936 5.977 0.483 1.00 0.00 H new ATOM 0 HA2 GLY B 12 37.149 7.525 -0.465 1.00 0.00 H new ATOM 0 HA3 GLY B 12 37.032 5.780 -0.349 1.00 0.00 H new ATOM 502 N GLY B 13 35.131 6.889 -2.684 1.00 0.00 N ATOM 503 CA GLY B 13 34.850 6.845 -4.114 1.00 0.00 C ATOM 504 C GLY B 13 34.772 5.407 -4.608 1.00 0.00 C ATOM 505 O GLY B 13 35.694 4.618 -4.400 1.00 0.00 O ATOM 0 H GLY B 13 34.341 7.167 -2.102 1.00 0.00 H new ATOM 0 HA2 GLY B 13 33.909 7.356 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY B 13 35.629 7.379 -4.658 1.00 0.00 H new ATOM 509 N TRP B 14 33.668 5.074 -5.265 1.00 0.00 N ATOM 510 CA TRP B 14 33.482 3.726 -5.790 1.00 0.00 C ATOM 511 C TRP B 14 34.443 3.468 -6.939 1.00 0.00 C ATOM 512 O TRP B 14 34.816 2.324 -7.207 1.00 0.00 O ATOM 513 CB TRP B 14 32.042 3.544 -6.269 1.00 0.00 C ATOM 514 CG TRP B 14 31.689 4.644 -7.216 1.00 0.00 C ATOM 515 CD1 TRP B 14 31.209 5.856 -6.853 1.00 0.00 C ATOM 516 CD2 TRP B 14 31.777 4.655 -8.669 1.00 0.00 C ATOM 517 NE1 TRP B 14 30.997 6.610 -7.995 1.00 0.00 N ATOM 518 CE2 TRP B 14 31.334 5.910 -9.140 1.00 0.00 C ATOM 519 CE3 TRP B 14 32.197 3.700 -9.619 1.00 0.00 C ATOM 520 CZ2 TRP B 14 31.305 6.214 -10.496 1.00 0.00 C ATOM 521 CZ3 TRP B 14 32.168 4.007 -10.995 1.00 0.00 C ATOM 522 CH2 TRP B 14 31.722 5.265 -11.427 1.00 0.00 C ATOM 0 H TRP B 14 32.893 5.712 -5.446 1.00 0.00 H new ATOM 0 HA TRP B 14 33.687 3.012 -4.993 1.00 0.00 H new ATOM 0 HB2 TRP B 14 31.930 2.577 -6.760 1.00 0.00 H new ATOM 0 HB3 TRP B 14 31.361 3.550 -5.418 1.00 0.00 H new ATOM 0 HD1 TRP B 14 31.022 6.181 -5.840 1.00 0.00 H new ATOM 0 HE1 TRP B 14 30.637 7.564 -7.992 1.00 0.00 H new ATOM 0 HE3 TRP B 14 32.542 2.730 -9.291 1.00 0.00 H new ATOM 0 HZ2 TRP B 14 30.960 7.183 -10.827 1.00 0.00 H new ATOM 0 HZ3 TRP B 14 32.490 3.272 -11.718 1.00 0.00 H new ATOM 0 HH2 TRP B 14 31.702 5.498 -12.481 1.00 0.00 H new ATOM 533 N THR B 15 34.843 4.535 -7.617 1.00 0.00 N ATOM 534 CA THR B 15 35.766 4.415 -8.741 1.00 0.00 C ATOM 535 C THR B 15 37.206 4.339 -8.249 1.00 0.00 C ATOM 536 O THR B 15 38.108 3.961 -8.998 1.00 0.00 O ATOM 537 CB THR B 15 35.608 5.622 -9.681 1.00 0.00 C ATOM 538 OG1 THR B 15 34.253 5.709 -10.107 1.00 0.00 O ATOM 539 CG2 THR B 15 36.530 5.451 -10.921 1.00 0.00 C ATOM 0 H THR B 15 34.546 5.489 -7.411 1.00 0.00 H new ATOM 0 HA THR B 15 35.531 3.498 -9.282 1.00 0.00 H new ATOM 0 HB THR B 15 35.888 6.532 -9.151 1.00 0.00 H new ATOM 0 HG1 THR B 15 33.887 4.807 -10.221 1.00 0.00 H new ATOM 0 HG21 THR B 15 36.413 6.309 -11.583 1.00 0.00 H new ATOM 0 HG22 THR B 15 37.568 5.382 -10.596 1.00 0.00 H new ATOM 0 HG23 THR B 15 36.256 4.541 -11.455 1.00 0.00 H new ATOM 547 N GLY B 16 37.418 4.712 -6.989 1.00 0.00 N ATOM 548 CA GLY B 16 38.757 4.691 -6.414 1.00 0.00 C ATOM 549 C GLY B 16 39.339 3.282 -6.424 1.00 0.00 C ATOM 550 O GLY B 16 40.446 3.062 -6.913 1.00 0.00 O ATOM 0 H GLY B 16 36.686 5.029 -6.353 1.00 0.00 H new ATOM 0 HA2 GLY B 16 39.408 5.360 -6.977 1.00 0.00 H new ATOM 0 HA3 GLY B 16 38.722 5.066 -5.391 1.00 0.00 H new ATOM 554 N MET B 17 38.590 2.332 -5.881 1.00 0.00 N ATOM 555 CA MET B 17 39.048 0.952 -5.832 1.00 0.00 C ATOM 556 C MET B 17 39.369 0.446 -7.237 1.00 0.00 C ATOM 557 O MET B 17 40.352 -0.265 -7.441 1.00 0.00 O ATOM 558 CB MET B 17 37.973 0.066 -5.196 1.00 0.00 C ATOM 559 CG MET B 17 38.455 -1.412 -5.175 1.00 0.00 C ATOM 560 SD MET B 17 37.833 -2.236 -3.680 1.00 0.00 S ATOM 561 CE MET B 17 36.078 -1.895 -3.940 1.00 0.00 C ATOM 0 H MET B 17 37.669 2.490 -5.471 1.00 0.00 H new ATOM 0 HA MET B 17 39.954 0.909 -5.228 1.00 0.00 H new ATOM 0 HB2 MET B 17 37.763 0.404 -4.181 1.00 0.00 H new ATOM 0 HB3 MET B 17 37.042 0.147 -5.758 1.00 0.00 H new ATOM 0 HG2 MET B 17 38.100 -1.933 -6.064 1.00 0.00 H new ATOM 0 HG3 MET B 17 39.544 -1.450 -5.197 1.00 0.00 H new ATOM 0 HE1 MET B 17 35.481 -2.592 -3.352 1.00 0.00 H new ATOM 0 HE2 MET B 17 35.856 -0.874 -3.628 1.00 0.00 H new ATOM 0 HE3 MET B 17 35.837 -2.012 -4.997 1.00 0.00 H new ATOM 571 N ILE B 18 38.532 0.824 -8.202 1.00 0.00 N ATOM 572 CA ILE B 18 38.737 0.410 -9.585 1.00 0.00 C ATOM 573 C ILE B 18 40.056 0.964 -10.118 1.00 0.00 C ATOM 574 O ILE B 18 40.831 0.247 -10.755 1.00 0.00 O ATOM 575 CB ILE B 18 37.579 0.908 -10.457 1.00 0.00 C ATOM 576 CG1 ILE B 18 36.255 0.356 -9.901 1.00 0.00 C ATOM 577 CG2 ILE B 18 37.782 0.423 -11.898 1.00 0.00 C ATOM 578 CD1 ILE B 18 35.092 0.856 -10.754 1.00 0.00 C ATOM 0 H ILE B 18 37.712 1.412 -8.052 1.00 0.00 H new ATOM 0 HA ILE B 18 38.773 -0.679 -9.619 1.00 0.00 H new ATOM 0 HB ILE B 18 37.549 1.998 -10.447 1.00 0.00 H new ATOM 0 HG12 ILE B 18 36.276 -0.734 -9.900 1.00 0.00 H new ATOM 0 HG13 ILE B 18 36.123 0.673 -8.867 1.00 0.00 H new ATOM 0 HG21 ILE B 18 36.959 0.776 -12.520 1.00 0.00 H new ATOM 0 HG22 ILE B 18 38.723 0.814 -12.284 1.00 0.00 H new ATOM 0 HG23 ILE B 18 37.808 -0.667 -11.915 1.00 0.00 H new ATOM 0 HD11 ILE B 18 34.155 0.464 -10.358 1.00 0.00 H new ATOM 0 HD12 ILE B 18 35.067 1.945 -10.732 1.00 0.00 H new ATOM 0 HD13 ILE B 18 35.222 0.516 -11.782 1.00 0.00 H new ATOM 590 N ASP B 19 40.306 2.241 -9.851 1.00 0.00 N ATOM 591 CA ASP B 19 41.535 2.880 -10.309 1.00 0.00 C ATOM 592 C ASP B 19 42.754 2.096 -9.823 1.00 0.00 C ATOM 593 O ASP B 19 43.713 1.897 -10.566 1.00 0.00 O ATOM 594 CB ASP B 19 41.605 4.315 -9.782 1.00 0.00 C ATOM 595 CG ASP B 19 42.911 4.968 -10.218 1.00 0.00 C ATOM 596 OD1 ASP B 19 43.540 4.443 -11.121 1.00 0.00 O ATOM 597 OD2 ASP B 19 43.265 5.984 -9.642 1.00 0.00 O ATOM 0 H ASP B 19 39.680 2.850 -9.324 1.00 0.00 H new ATOM 0 HA ASP B 19 41.534 2.895 -11.399 1.00 0.00 H new ATOM 0 HB2 ASP B 19 40.758 4.890 -10.157 1.00 0.00 H new ATOM 0 HB3 ASP B 19 41.534 4.315 -8.694 1.00 0.00 H new ATOM 602 N GLY B 20 42.700 1.649 -8.575 1.00 0.00 N ATOM 603 CA GLY B 20 43.799 0.879 -7.999 1.00 0.00 C ATOM 604 C GLY B 20 43.962 -0.452 -8.724 1.00 0.00 C ATOM 605 O GLY B 20 45.079 -0.862 -9.044 1.00 0.00 O ATOM 0 H GLY B 20 41.913 1.804 -7.944 1.00 0.00 H new ATOM 0 HA2 GLY B 20 44.725 1.451 -8.066 1.00 0.00 H new ATOM 0 HA3 GLY B 20 43.610 0.701 -6.940 1.00 0.00 H new ATOM 609 N TRP B 21 42.849 -1.121 -8.982 1.00 0.00 N ATOM 610 CA TRP B 21 42.891 -2.407 -9.672 1.00 0.00 C ATOM 611 C TRP B 21 43.459 -2.235 -11.085 1.00 0.00 C ATOM 612 O TRP B 21 44.311 -3.008 -11.522 1.00 0.00 O ATOM 613 CB TRP B 21 41.471 -3.012 -9.746 1.00 0.00 C ATOM 614 CG TRP B 21 41.560 -4.509 -9.751 1.00 0.00 C ATOM 615 CD1 TRP B 21 42.113 -5.253 -10.737 1.00 0.00 C ATOM 616 CD2 TRP B 21 41.097 -5.444 -8.745 1.00 0.00 C ATOM 617 NE1 TRP B 21 42.015 -6.589 -10.394 1.00 0.00 N ATOM 618 CE2 TRP B 21 41.394 -6.755 -9.172 1.00 0.00 C ATOM 619 CE3 TRP B 21 40.447 -5.281 -7.506 1.00 0.00 C ATOM 620 CZ2 TRP B 21 41.066 -7.865 -8.408 1.00 0.00 C ATOM 621 CZ3 TRP B 21 40.112 -6.405 -6.727 1.00 0.00 C ATOM 622 CH2 TRP B 21 40.424 -7.696 -7.183 1.00 0.00 C ATOM 0 H TRP B 21 41.914 -0.802 -8.729 1.00 0.00 H new ATOM 0 HA TRP B 21 43.539 -3.083 -9.114 1.00 0.00 H new ATOM 0 HB2 TRP B 21 40.877 -2.676 -8.896 1.00 0.00 H new ATOM 0 HB3 TRP B 21 40.964 -2.665 -10.646 1.00 0.00 H new ATOM 0 HD1 TRP B 21 42.558 -4.867 -11.642 1.00 0.00 H new ATOM 0 HE1 TRP B 21 42.359 -7.356 -10.972 1.00 0.00 H new ATOM 0 HE3 TRP B 21 40.205 -4.290 -7.152 1.00 0.00 H new ATOM 0 HZ2 TRP B 21 41.307 -8.857 -8.761 1.00 0.00 H new ATOM 0 HZ3 TRP B 21 39.614 -6.274 -5.777 1.00 0.00 H new ATOM 0 HH2 TRP B 21 40.166 -8.557 -6.585 1.00 0.00 H new ATOM 633 N TYR B 22 42.977 -1.214 -11.787 1.00 0.00 N ATOM 634 CA TYR B 22 43.440 -0.943 -13.146 1.00 0.00 C ATOM 635 C TYR B 22 44.840 -0.337 -13.121 1.00 0.00 C ATOM 636 O TYR B 22 45.497 -0.225 -14.158 1.00 0.00 O ATOM 637 CB TYR B 22 42.463 0.024 -13.850 1.00 0.00 C ATOM 638 CG TYR B 22 41.357 -0.768 -14.516 1.00 0.00 C ATOM 639 CD1 TYR B 22 40.218 -1.131 -13.788 1.00 0.00 C ATOM 640 CD2 TYR B 22 41.474 -1.138 -15.861 1.00 0.00 C ATOM 641 CE1 TYR B 22 39.196 -1.862 -14.407 1.00 0.00 C ATOM 642 CE2 TYR B 22 40.455 -1.869 -16.477 1.00 0.00 C ATOM 643 CZ TYR B 22 39.316 -2.232 -15.750 1.00 0.00 C ATOM 644 OH TYR B 22 38.312 -2.952 -16.359 1.00 0.00 O ATOM 0 H TYR B 22 42.271 -0.564 -11.441 1.00 0.00 H new ATOM 0 HA TYR B 22 43.476 -1.883 -13.697 1.00 0.00 H new ATOM 0 HB2 TYR B 22 42.040 0.721 -13.126 1.00 0.00 H new ATOM 0 HB3 TYR B 22 42.996 0.619 -14.592 1.00 0.00 H new ATOM 0 HD1 TYR B 22 40.127 -0.848 -12.750 1.00 0.00 H new ATOM 0 HD2 TYR B 22 42.353 -0.858 -16.423 1.00 0.00 H new ATOM 0 HE1 TYR B 22 38.315 -2.140 -13.847 1.00 0.00 H new ATOM 0 HE2 TYR B 22 40.547 -2.154 -17.515 1.00 0.00 H new ATOM 0 HH TYR B 22 38.554 -3.125 -17.293 1.00 0.00 H new ATOM 654 N GLY B 23 45.293 0.048 -11.936 1.00 0.00 N ATOM 655 CA GLY B 23 46.615 0.638 -11.794 1.00 0.00 C ATOM 656 C GLY B 23 47.700 -0.405 -12.027 1.00 0.00 C ATOM 657 O GLY B 23 48.342 -0.868 -11.085 1.00 0.00 O ATOM 0 H GLY B 23 44.768 -0.037 -11.065 1.00 0.00 H new ATOM 0 HA2 GLY B 23 46.732 1.456 -12.505 1.00 0.00 H new ATOM 0 HA3 GLY B 23 46.723 1.065 -10.797 1.00 0.00 H new ATOM 661 N SER B 24 47.901 -0.769 -13.289 1.00 0.00 N ATOM 662 CA SER B 24 48.914 -1.760 -13.637 1.00 0.00 C ATOM 663 C SER B 24 50.316 -1.166 -13.499 1.00 0.00 C ATOM 664 O SER B 24 50.426 0.049 -13.496 1.00 0.00 O ATOM 665 CB SER B 24 48.700 -2.245 -15.071 1.00 0.00 C ATOM 666 OG SER B 24 49.402 -3.472 -15.264 1.00 0.00 O ATOM 0 H SER B 24 47.380 -0.396 -14.083 1.00 0.00 H new ATOM 0 HA SER B 24 48.821 -2.603 -12.952 1.00 0.00 H new ATOM 0 HB2 SER B 24 47.637 -2.387 -15.264 1.00 0.00 H new ATOM 0 HB3 SER B 24 49.055 -1.495 -15.778 1.00 0.00 H new ATOM 0 HG SER B 24 49.265 -3.786 -16.182 1.00 0.00 H new TER 672 SER B 24 ATOM 673 N GLY C 1 4.095 -4.025 5.473 1.00 0.00 N ATOM 674 CA GLY C 1 3.028 -4.912 6.024 1.00 0.00 C ATOM 675 C GLY C 1 1.751 -4.717 5.229 1.00 0.00 C ATOM 676 O GLY C 1 1.642 -3.786 4.430 1.00 0.00 O ATOM 0 H1 GLY C 1 4.888 -4.606 5.132 1.00 0.00 H new ATOM 0 H2 GLY C 1 3.710 -3.468 4.684 1.00 0.00 H new ATOM 0 H3 GLY C 1 4.432 -3.383 6.218 1.00 0.00 H new ATOM 0 HA2 GLY C 1 3.345 -5.954 5.975 1.00 0.00 H new ATOM 0 HA3 GLY C 1 2.854 -4.681 7.075 1.00 0.00 H new ATOM 682 N LEU C 2 0.784 -5.598 5.443 1.00 0.00 N ATOM 683 CA LEU C 2 -0.478 -5.507 4.730 1.00 0.00 C ATOM 684 C LEU C 2 -1.100 -4.128 4.924 1.00 0.00 C ATOM 685 O LEU C 2 -1.494 -3.474 3.957 1.00 0.00 O ATOM 686 CB LEU C 2 -1.451 -6.597 5.240 1.00 0.00 C ATOM 687 CG LEU C 2 -2.868 -6.344 4.684 1.00 0.00 C ATOM 688 CD1 LEU C 2 -2.824 -6.317 3.154 1.00 0.00 C ATOM 689 CD2 LEU C 2 -3.799 -7.466 5.147 1.00 0.00 C ATOM 0 H LEU C 2 0.849 -6.377 6.099 1.00 0.00 H new ATOM 0 HA LEU C 2 -0.290 -5.661 3.667 1.00 0.00 H new ATOM 0 HB2 LEU C 2 -1.101 -7.582 4.931 1.00 0.00 H new ATOM 0 HB3 LEU C 2 -1.474 -6.595 6.330 1.00 0.00 H new ATOM 0 HG LEU C 2 -3.237 -5.386 5.050 1.00 0.00 H new ATOM 0 HD11 LEU C 2 -3.826 -6.138 2.764 1.00 0.00 H new ATOM 0 HD12 LEU C 2 -2.158 -5.520 2.823 1.00 0.00 H new ATOM 0 HD13 LEU C 2 -2.456 -7.274 2.784 1.00 0.00 H new ATOM 0 HD21 LEU C 2 -4.802 -7.291 4.756 1.00 0.00 H new ATOM 0 HD22 LEU C 2 -3.428 -8.422 4.779 1.00 0.00 H new ATOM 0 HD23 LEU C 2 -3.832 -7.485 6.236 1.00 0.00 H new ATOM 701 N PHE C 3 -1.190 -3.696 6.171 1.00 0.00 N ATOM 702 CA PHE C 3 -1.771 -2.401 6.468 1.00 0.00 C ATOM 703 C PHE C 3 -0.914 -1.286 5.882 1.00 0.00 C ATOM 704 O PHE C 3 -1.436 -0.293 5.374 1.00 0.00 O ATOM 705 CB PHE C 3 -1.900 -2.211 7.980 1.00 0.00 C ATOM 706 CG PHE C 3 -2.850 -3.247 8.541 1.00 0.00 C ATOM 707 CD1 PHE C 3 -4.211 -3.187 8.227 1.00 0.00 C ATOM 708 CD2 PHE C 3 -2.368 -4.269 9.376 1.00 0.00 C ATOM 709 CE1 PHE C 3 -5.093 -4.143 8.747 1.00 0.00 C ATOM 710 CE2 PHE C 3 -3.250 -5.223 9.895 1.00 0.00 C ATOM 711 CZ PHE C 3 -4.612 -5.162 9.580 1.00 0.00 C ATOM 0 H PHE C 3 -0.871 -4.219 6.986 1.00 0.00 H new ATOM 0 HA PHE C 3 -2.763 -2.359 6.018 1.00 0.00 H new ATOM 0 HB2 PHE C 3 -0.923 -2.304 8.453 1.00 0.00 H new ATOM 0 HB3 PHE C 3 -2.267 -1.209 8.201 1.00 0.00 H new ATOM 0 HD1 PHE C 3 -4.582 -2.403 7.583 1.00 0.00 H new ATOM 0 HD2 PHE C 3 -1.316 -4.318 9.617 1.00 0.00 H new ATOM 0 HE1 PHE C 3 -6.145 -4.095 8.506 1.00 0.00 H new ATOM 0 HE2 PHE C 3 -2.879 -6.007 10.539 1.00 0.00 H new ATOM 0 HZ PHE C 3 -5.292 -5.900 9.979 1.00 0.00 H new ATOM 721 N GLY C 4 0.404 -1.451 5.954 1.00 0.00 N ATOM 722 CA GLY C 4 1.316 -0.448 5.425 1.00 0.00 C ATOM 723 C GLY C 4 1.136 -0.295 3.919 1.00 0.00 C ATOM 724 O GLY C 4 1.178 0.814 3.388 1.00 0.00 O ATOM 0 H GLY C 4 0.859 -2.263 6.370 1.00 0.00 H new ATOM 0 HA2 GLY C 4 1.137 0.508 5.916 1.00 0.00 H new ATOM 0 HA3 GLY C 4 2.345 -0.732 5.646 1.00 0.00 H new ATOM 728 N ALA C 5 0.934 -1.418 3.238 1.00 0.00 N ATOM 729 CA ALA C 5 0.743 -1.402 1.791 1.00 0.00 C ATOM 730 C ALA C 5 -0.552 -0.690 1.426 1.00 0.00 C ATOM 731 O ALA C 5 -0.577 0.143 0.521 1.00 0.00 O ATOM 732 CB ALA C 5 0.706 -2.834 1.257 1.00 0.00 C ATOM 0 H ALA C 5 0.898 -2.346 3.661 1.00 0.00 H new ATOM 0 HA ALA C 5 1.577 -0.864 1.340 1.00 0.00 H new ATOM 0 HB1 ALA C 5 0.563 -2.816 0.177 1.00 0.00 H new ATOM 0 HB2 ALA C 5 1.646 -3.334 1.490 1.00 0.00 H new ATOM 0 HB3 ALA C 5 -0.118 -3.375 1.723 1.00 0.00 H new ATOM 738 N ILE C 6 -1.624 -1.020 2.132 1.00 0.00 N ATOM 739 CA ILE C 6 -2.914 -0.403 1.869 1.00 0.00 C ATOM 740 C ILE C 6 -2.856 1.094 2.152 1.00 0.00 C ATOM 741 O ILE C 6 -3.380 1.902 1.389 1.00 0.00 O ATOM 742 CB ILE C 6 -3.994 -1.054 2.746 1.00 0.00 C ATOM 743 CG1 ILE C 6 -4.198 -2.511 2.297 1.00 0.00 C ATOM 744 CG2 ILE C 6 -5.319 -0.279 2.600 1.00 0.00 C ATOM 745 CD1 ILE C 6 -5.026 -3.256 3.343 1.00 0.00 C ATOM 0 H ILE C 6 -1.626 -1.707 2.886 1.00 0.00 H new ATOM 0 HA ILE C 6 -3.163 -0.553 0.818 1.00 0.00 H new ATOM 0 HB ILE C 6 -3.679 -1.031 3.789 1.00 0.00 H new ATOM 0 HG12 ILE C 6 -4.703 -2.538 1.332 1.00 0.00 H new ATOM 0 HG13 ILE C 6 -3.233 -3.001 2.166 1.00 0.00 H new ATOM 0 HG21 ILE C 6 -6.083 -0.744 3.223 1.00 0.00 H new ATOM 0 HG22 ILE C 6 -5.173 0.754 2.915 1.00 0.00 H new ATOM 0 HG23 ILE C 6 -5.639 -0.299 1.558 1.00 0.00 H new ATOM 0 HD11 ILE C 6 -5.171 -4.288 3.025 1.00 0.00 H new ATOM 0 HD12 ILE C 6 -4.503 -3.241 4.299 1.00 0.00 H new ATOM 0 HD13 ILE C 6 -5.996 -2.771 3.452 1.00 0.00 H new ATOM 757 N ALA C 7 -2.216 1.453 3.257 1.00 0.00 N ATOM 758 CA ALA C 7 -2.096 2.857 3.638 1.00 0.00 C ATOM 759 C ALA C 7 -1.264 3.623 2.608 1.00 0.00 C ATOM 760 O ALA C 7 -1.550 4.783 2.305 1.00 0.00 O ATOM 761 CB ALA C 7 -1.437 2.968 5.034 1.00 0.00 C ATOM 0 H ALA C 7 -1.774 0.798 3.902 1.00 0.00 H new ATOM 0 HA ALA C 7 -3.094 3.295 3.674 1.00 0.00 H new ATOM 0 HB1 ALA C 7 -1.350 4.018 5.313 1.00 0.00 H new ATOM 0 HB2 ALA C 7 -2.051 2.447 5.769 1.00 0.00 H new ATOM 0 HB3 ALA C 7 -0.445 2.517 5.005 1.00 0.00 H new ATOM 767 N ALA C 8 -0.236 2.970 2.082 1.00 0.00 N ATOM 768 CA ALA C 8 0.628 3.604 1.093 1.00 0.00 C ATOM 769 C ALA C 8 -0.052 3.639 -0.271 1.00 0.00 C ATOM 770 O ALA C 8 0.168 4.557 -1.062 1.00 0.00 O ATOM 771 CB ALA C 8 1.945 2.843 0.990 1.00 0.00 C ATOM 0 H ALA C 8 0.019 2.011 2.320 1.00 0.00 H new ATOM 0 HA ALA C 8 0.824 4.628 1.412 1.00 0.00 H new ATOM 0 HB1 ALA C 8 2.585 3.322 0.249 1.00 0.00 H new ATOM 0 HB2 ALA C 8 2.445 2.847 1.959 1.00 0.00 H new ATOM 0 HB3 ALA C 8 1.748 1.814 0.688 1.00 0.00 H new ATOM 777 N PHE C 9 -0.876 2.630 -0.541 1.00 0.00 N ATOM 778 CA PHE C 9 -1.581 2.551 -1.813 1.00 0.00 C ATOM 779 C PHE C 9 -2.487 3.766 -2.002 1.00 0.00 C ATOM 780 O PHE C 9 -2.514 4.372 -3.072 1.00 0.00 O ATOM 781 CB PHE C 9 -2.420 1.268 -1.867 1.00 0.00 C ATOM 782 CG PHE C 9 -3.083 1.152 -3.225 1.00 0.00 C ATOM 783 CD1 PHE C 9 -2.312 0.862 -4.354 1.00 0.00 C ATOM 784 CD2 PHE C 9 -4.470 1.334 -3.350 1.00 0.00 C ATOM 785 CE1 PHE C 9 -2.922 0.753 -5.610 1.00 0.00 C ATOM 786 CE2 PHE C 9 -5.079 1.225 -4.606 1.00 0.00 C ATOM 787 CZ PHE C 9 -4.306 0.935 -5.735 1.00 0.00 C ATOM 0 H PHE C 9 -1.070 1.861 0.101 1.00 0.00 H new ATOM 0 HA PHE C 9 -0.844 2.536 -2.616 1.00 0.00 H new ATOM 0 HB2 PHE C 9 -1.787 0.399 -1.684 1.00 0.00 H new ATOM 0 HB3 PHE C 9 -3.176 1.282 -1.082 1.00 0.00 H new ATOM 0 HD1 PHE C 9 -1.245 0.722 -4.258 1.00 0.00 H new ATOM 0 HD2 PHE C 9 -5.066 1.558 -2.478 1.00 0.00 H new ATOM 0 HE1 PHE C 9 -2.326 0.529 -6.482 1.00 0.00 H new ATOM 0 HE2 PHE C 9 -6.146 1.365 -4.703 1.00 0.00 H new ATOM 0 HZ PHE C 9 -4.776 0.851 -6.704 1.00 0.00 H new ATOM 797 N ILE C 10 -3.223 4.118 -0.956 1.00 0.00 N ATOM 798 CA ILE C 10 -4.123 5.266 -1.020 1.00 0.00 C ATOM 799 C ILE C 10 -3.331 6.572 -1.037 1.00 0.00 C ATOM 800 O ILE C 10 -3.529 7.418 -1.910 1.00 0.00 O ATOM 801 CB ILE C 10 -5.064 5.256 0.183 1.00 0.00 C ATOM 802 CG1 ILE C 10 -5.793 3.906 0.252 1.00 0.00 C ATOM 803 CG2 ILE C 10 -6.101 6.383 0.044 1.00 0.00 C ATOM 804 CD1 ILE C 10 -6.596 3.805 1.568 1.00 0.00 C ATOM 0 H ILE C 10 -3.217 3.631 -0.060 1.00 0.00 H new ATOM 0 HA ILE C 10 -4.704 5.196 -1.939 1.00 0.00 H new ATOM 0 HB ILE C 10 -4.482 5.408 1.092 1.00 0.00 H new ATOM 0 HG12 ILE C 10 -6.463 3.801 -0.601 1.00 0.00 H new ATOM 0 HG13 ILE C 10 -5.072 3.091 0.193 1.00 0.00 H new ATOM 0 HG21 ILE C 10 -6.769 6.371 0.905 1.00 0.00 H new ATOM 0 HG22 ILE C 10 -5.589 7.344 -0.005 1.00 0.00 H new ATOM 0 HG23 ILE C 10 -6.680 6.234 -0.867 1.00 0.00 H new ATOM 0 HD11 ILE C 10 -7.110 2.844 1.608 1.00 0.00 H new ATOM 0 HD12 ILE C 10 -5.917 3.889 2.416 1.00 0.00 H new ATOM 0 HD13 ILE C 10 -7.329 4.610 1.610 1.00 0.00 H new ATOM 816 N GLU C 11 -2.440 6.728 -0.069 1.00 0.00 N ATOM 817 CA GLU C 11 -1.623 7.937 0.021 1.00 0.00 C ATOM 818 C GLU C 11 -0.769 8.105 -1.233 1.00 0.00 C ATOM 819 O GLU C 11 -0.241 9.186 -1.496 1.00 0.00 O ATOM 820 CB GLU C 11 -0.713 7.864 1.265 1.00 0.00 C ATOM 821 CG GLU C 11 -1.520 8.239 2.523 1.00 0.00 C ATOM 822 CD GLU C 11 -2.829 7.450 2.564 1.00 0.00 C ATOM 823 OE1 GLU C 11 -3.742 7.820 1.843 1.00 0.00 O ATOM 824 OE2 GLU C 11 -2.896 6.490 3.311 1.00 0.00 O ATOM 0 H GLU C 11 -2.262 6.040 0.662 1.00 0.00 H new ATOM 0 HA GLU C 11 -2.287 8.797 0.107 1.00 0.00 H new ATOM 0 HB2 GLU C 11 -0.304 6.859 1.370 1.00 0.00 H new ATOM 0 HB3 GLU C 11 0.133 8.542 1.149 1.00 0.00 H new ATOM 0 HG2 GLU C 11 -0.932 8.030 3.417 1.00 0.00 H new ATOM 0 HG3 GLU C 11 -1.731 9.308 2.523 1.00 0.00 H new ATOM 831 N GLY C 12 -0.637 7.031 -1.998 1.00 0.00 N ATOM 832 CA GLY C 12 0.157 7.072 -3.217 1.00 0.00 C ATOM 833 C GLY C 12 -0.559 7.864 -4.306 1.00 0.00 C ATOM 834 O GLY C 12 -0.037 8.038 -5.408 1.00 0.00 O ATOM 0 H GLY C 12 -1.066 6.127 -1.798 1.00 0.00 H new ATOM 0 HA2 GLY C 12 1.126 7.526 -3.009 1.00 0.00 H new ATOM 0 HA3 GLY C 12 0.348 6.057 -3.566 1.00 0.00 H new ATOM 838 N GLY C 13 -1.759 8.336 -3.990 1.00 0.00 N ATOM 839 CA GLY C 13 -2.550 9.110 -4.950 1.00 0.00 C ATOM 840 C GLY C 13 -3.266 8.190 -5.926 1.00 0.00 C ATOM 841 O GLY C 13 -2.754 7.128 -6.284 1.00 0.00 O ATOM 0 H GLY C 13 -2.207 8.200 -3.084 1.00 0.00 H new ATOM 0 HA2 GLY C 13 -3.279 9.721 -4.418 1.00 0.00 H new ATOM 0 HA3 GLY C 13 -1.900 9.793 -5.497 1.00 0.00 H new ATOM 845 N TRP C 14 -4.457 8.602 -6.353 1.00 0.00 N ATOM 846 CA TRP C 14 -5.245 7.806 -7.292 1.00 0.00 C ATOM 847 C TRP C 14 -4.704 7.956 -8.709 1.00 0.00 C ATOM 848 O TRP C 14 -4.777 7.029 -9.510 1.00 0.00 O ATOM 849 CB TRP C 14 -6.707 8.256 -7.251 1.00 0.00 C ATOM 850 CG TRP C 14 -7.514 7.420 -8.192 1.00 0.00 C ATOM 851 CD1 TRP C 14 -7.908 7.805 -9.429 1.00 0.00 C ATOM 852 CD2 TRP C 14 -8.033 6.074 -7.998 1.00 0.00 C ATOM 853 NE1 TRP C 14 -8.634 6.775 -10.006 1.00 0.00 N ATOM 854 CE2 TRP C 14 -8.736 5.686 -9.159 1.00 0.00 C ATOM 855 CE3 TRP C 14 -7.959 5.154 -6.929 1.00 0.00 C ATOM 856 CZ2 TRP C 14 -9.345 4.443 -9.267 1.00 0.00 C ATOM 857 CZ3 TRP C 14 -8.577 3.892 -7.036 1.00 0.00 C ATOM 858 CH2 TRP C 14 -9.268 3.541 -8.207 1.00 0.00 C ATOM 0 H TRP C 14 -4.896 9.477 -6.066 1.00 0.00 H new ATOM 0 HA TRP C 14 -5.176 6.758 -7.001 1.00 0.00 H new ATOM 0 HB2 TRP C 14 -7.099 8.163 -6.238 1.00 0.00 H new ATOM 0 HB3 TRP C 14 -6.782 9.308 -7.527 1.00 0.00 H new ATOM 0 HD1 TRP C 14 -7.692 8.758 -9.890 1.00 0.00 H new ATOM 0 HE1 TRP C 14 -9.043 6.815 -10.940 1.00 0.00 H new ATOM 0 HE3 TRP C 14 -7.427 5.418 -6.027 1.00 0.00 H new ATOM 0 HZ2 TRP C 14 -9.876 4.176 -10.169 1.00 0.00 H new ATOM 0 HZ3 TRP C 14 -8.519 3.193 -6.215 1.00 0.00 H new ATOM 0 HH2 TRP C 14 -9.740 2.573 -8.286 1.00 0.00 H new ATOM 869 N THR C 15 -4.164 9.140 -9.011 1.00 0.00 N ATOM 870 CA THR C 15 -3.616 9.405 -10.345 1.00 0.00 C ATOM 871 C THR C 15 -2.233 8.765 -10.495 1.00 0.00 C ATOM 872 O THR C 15 -1.742 8.577 -11.605 1.00 0.00 O ATOM 873 CB THR C 15 -3.513 10.924 -10.574 1.00 0.00 C ATOM 874 OG1 THR C 15 -4.683 11.558 -10.067 1.00 0.00 O ATOM 875 CG2 THR C 15 -3.384 11.212 -12.070 1.00 0.00 C ATOM 0 H THR C 15 -4.095 9.922 -8.359 1.00 0.00 H new ATOM 0 HA THR C 15 -4.284 8.970 -11.088 1.00 0.00 H new ATOM 0 HB THR C 15 -2.635 11.310 -10.057 1.00 0.00 H new ATOM 0 HG1 THR C 15 -4.619 12.525 -10.210 1.00 0.00 H new ATOM 0 HG21 THR C 15 -3.311 12.288 -12.228 1.00 0.00 H new ATOM 0 HG22 THR C 15 -2.488 10.727 -12.458 1.00 0.00 H new ATOM 0 HG23 THR C 15 -4.260 10.827 -12.592 1.00 0.00 H new ATOM 883 N GLY C 16 -1.619 8.433 -9.369 1.00 0.00 N ATOM 884 CA GLY C 16 -0.298 7.814 -9.382 1.00 0.00 C ATOM 885 C GLY C 16 -0.349 6.433 -10.020 1.00 0.00 C ATOM 886 O GLY C 16 0.543 6.058 -10.783 1.00 0.00 O ATOM 0 H GLY C 16 -2.010 8.580 -8.438 1.00 0.00 H new ATOM 0 HA2 GLY C 16 0.399 8.447 -9.932 1.00 0.00 H new ATOM 0 HA3 GLY C 16 0.080 7.734 -8.363 1.00 0.00 H new ATOM 890 N MET C 17 -1.393 5.681 -9.702 1.00 0.00 N ATOM 891 CA MET C 17 -1.553 4.337 -10.248 1.00 0.00 C ATOM 892 C MET C 17 -1.617 4.375 -11.772 1.00 0.00 C ATOM 893 O MET C 17 -0.942 3.599 -12.447 1.00 0.00 O ATOM 894 CB MET C 17 -2.831 3.700 -9.696 1.00 0.00 C ATOM 895 CG MET C 17 -2.949 2.259 -10.209 1.00 0.00 C ATOM 896 SD MET C 17 -4.369 1.453 -9.425 1.00 0.00 S ATOM 897 CE MET C 17 -5.620 1.971 -10.631 1.00 0.00 C ATOM 0 H MET C 17 -2.140 5.975 -9.072 1.00 0.00 H new ATOM 0 HA MET C 17 -0.690 3.741 -9.951 1.00 0.00 H new ATOM 0 HB2 MET C 17 -2.813 3.709 -8.606 1.00 0.00 H new ATOM 0 HB3 MET C 17 -3.701 4.279 -10.005 1.00 0.00 H new ATOM 0 HG2 MET C 17 -3.068 2.256 -11.292 1.00 0.00 H new ATOM 0 HG3 MET C 17 -2.036 1.707 -9.987 1.00 0.00 H new ATOM 0 HE1 MET C 17 -6.593 1.577 -10.338 1.00 0.00 H new ATOM 0 HE2 MET C 17 -5.665 3.060 -10.664 1.00 0.00 H new ATOM 0 HE3 MET C 17 -5.355 1.588 -11.617 1.00 0.00 H new ATOM 907 N ILE C 18 -2.430 5.273 -12.305 1.00 0.00 N ATOM 908 CA ILE C 18 -2.569 5.389 -13.752 1.00 0.00 C ATOM 909 C ILE C 18 -1.242 5.790 -14.384 1.00 0.00 C ATOM 910 O ILE C 18 -0.814 5.201 -15.383 1.00 0.00 O ATOM 911 CB ILE C 18 -3.635 6.427 -14.091 1.00 0.00 C ATOM 912 CG1 ILE C 18 -4.932 6.082 -13.344 1.00 0.00 C ATOM 913 CG2 ILE C 18 -3.904 6.421 -15.602 1.00 0.00 C ATOM 914 CD1 ILE C 18 -6.021 7.121 -13.676 1.00 0.00 C ATOM 0 H ILE C 18 -2.999 5.926 -11.767 1.00 0.00 H new ATOM 0 HA ILE C 18 -2.869 4.420 -14.151 1.00 0.00 H new ATOM 0 HB ILE C 18 -3.286 7.415 -13.791 1.00 0.00 H new ATOM 0 HG12 ILE C 18 -5.270 5.085 -13.626 1.00 0.00 H new ATOM 0 HG13 ILE C 18 -4.749 6.064 -12.270 1.00 0.00 H new ATOM 0 HG21 ILE C 18 -4.666 7.164 -15.839 1.00 0.00 H new ATOM 0 HG22 ILE C 18 -2.985 6.661 -16.136 1.00 0.00 H new ATOM 0 HG23 ILE C 18 -4.253 5.434 -15.906 1.00 0.00 H new ATOM 0 HD11 ILE C 18 -6.938 6.870 -13.143 1.00 0.00 H new ATOM 0 HD12 ILE C 18 -5.684 8.112 -13.371 1.00 0.00 H new ATOM 0 HD13 ILE C 18 -6.213 7.117 -14.749 1.00 0.00 H new ATOM 926 N ASP C 19 -0.588 6.792 -13.797 1.00 0.00 N ATOM 927 CA ASP C 19 0.688 7.259 -14.312 1.00 0.00 C ATOM 928 C ASP C 19 1.703 6.126 -14.314 1.00 0.00 C ATOM 929 O ASP C 19 2.417 5.922 -15.295 1.00 0.00 O ATOM 930 CB ASP C 19 1.207 8.411 -13.447 1.00 0.00 C ATOM 931 CG ASP C 19 2.448 9.024 -14.083 1.00 0.00 C ATOM 932 OD1 ASP C 19 2.322 9.598 -15.151 1.00 0.00 O ATOM 933 OD2 ASP C 19 3.511 8.910 -13.491 1.00 0.00 O ATOM 0 H ASP C 19 -0.922 7.289 -12.971 1.00 0.00 H new ATOM 0 HA ASP C 19 0.545 7.609 -15.335 1.00 0.00 H new ATOM 0 HB2 ASP C 19 0.433 9.170 -13.336 1.00 0.00 H new ATOM 0 HB3 ASP C 19 1.443 8.048 -12.447 1.00 0.00 H new ATOM 938 N GLY C 20 1.763 5.391 -13.211 1.00 0.00 N ATOM 939 CA GLY C 20 2.695 4.284 -13.099 1.00 0.00 C ATOM 940 C GLY C 20 2.479 3.274 -14.211 1.00 0.00 C ATOM 941 O GLY C 20 3.435 2.733 -14.767 1.00 0.00 O ATOM 0 H GLY C 20 1.180 5.542 -12.388 1.00 0.00 H new ATOM 0 HA2 GLY C 20 3.717 4.660 -13.138 1.00 0.00 H new ATOM 0 HA3 GLY C 20 2.571 3.797 -12.132 1.00 0.00 H new ATOM 945 N TRP C 21 1.213 3.017 -14.530 1.00 0.00 N ATOM 946 CA TRP C 21 0.878 2.064 -15.577 1.00 0.00 C ATOM 947 C TRP C 21 1.563 2.450 -16.889 1.00 0.00 C ATOM 948 O TRP C 21 2.269 1.645 -17.492 1.00 0.00 O ATOM 949 CB TRP C 21 -0.659 2.029 -15.781 1.00 0.00 C ATOM 950 CG TRP C 21 -1.090 0.649 -16.176 1.00 0.00 C ATOM 951 CD1 TRP C 21 -0.353 -0.221 -16.906 1.00 0.00 C ATOM 952 CD2 TRP C 21 -2.336 -0.025 -15.874 1.00 0.00 C ATOM 953 NE1 TRP C 21 -1.073 -1.387 -17.066 1.00 0.00 N ATOM 954 CE2 TRP C 21 -2.305 -1.314 -16.447 1.00 0.00 C ATOM 955 CE3 TRP C 21 -3.488 0.357 -15.159 1.00 0.00 C ATOM 956 CZ2 TRP C 21 -3.367 -2.195 -16.320 1.00 0.00 C ATOM 957 CZ3 TRP C 21 -4.569 -0.535 -15.030 1.00 0.00 C ATOM 958 CH2 TRP C 21 -4.504 -1.811 -15.611 1.00 0.00 C ATOM 0 H TRP C 21 0.409 3.454 -14.080 1.00 0.00 H new ATOM 0 HA TRP C 21 1.227 1.076 -15.276 1.00 0.00 H new ATOM 0 HB2 TRP C 21 -1.163 2.328 -14.862 1.00 0.00 H new ATOM 0 HB3 TRP C 21 -0.949 2.744 -16.551 1.00 0.00 H new ATOM 0 HD1 TRP C 21 0.636 -0.033 -17.298 1.00 0.00 H new ATOM 0 HE1 TRP C 21 -0.737 -2.202 -17.578 1.00 0.00 H new ATOM 0 HE3 TRP C 21 -3.542 1.337 -14.709 1.00 0.00 H new ATOM 0 HZ2 TRP C 21 -3.314 -3.176 -16.769 1.00 0.00 H new ATOM 0 HZ3 TRP C 21 -5.451 -0.237 -14.482 1.00 0.00 H new ATOM 0 HH2 TRP C 21 -5.334 -2.494 -15.509 1.00 0.00 H new ATOM 969 N TYR C 22 1.354 3.689 -17.317 1.00 0.00 N ATOM 970 CA TYR C 22 1.961 4.168 -18.554 1.00 0.00 C ATOM 971 C TYR C 22 3.478 4.213 -18.418 1.00 0.00 C ATOM 972 O TYR C 22 4.203 4.062 -19.400 1.00 0.00 O ATOM 973 CB TYR C 22 1.430 5.567 -18.891 1.00 0.00 C ATOM 974 CG TYR C 22 0.006 5.460 -19.407 1.00 0.00 C ATOM 975 CD1 TYR C 22 -0.235 4.939 -20.684 1.00 0.00 C ATOM 976 CD2 TYR C 22 -1.068 5.882 -18.607 1.00 0.00 C ATOM 977 CE1 TYR C 22 -1.546 4.838 -21.162 1.00 0.00 C ATOM 978 CE2 TYR C 22 -2.377 5.782 -19.088 1.00 0.00 C ATOM 979 CZ TYR C 22 -2.617 5.260 -20.365 1.00 0.00 C ATOM 980 OH TYR C 22 -3.908 5.160 -20.838 1.00 0.00 O ATOM 0 H TYR C 22 0.775 4.375 -16.832 1.00 0.00 H new ATOM 0 HA TYR C 22 1.699 3.480 -19.358 1.00 0.00 H new ATOM 0 HB2 TYR C 22 1.460 6.202 -18.005 1.00 0.00 H new ATOM 0 HB3 TYR C 22 2.065 6.037 -19.642 1.00 0.00 H new ATOM 0 HD1 TYR C 22 0.591 4.615 -21.300 1.00 0.00 H new ATOM 0 HD2 TYR C 22 -0.883 6.283 -17.621 1.00 0.00 H new ATOM 0 HE1 TYR C 22 -1.732 4.434 -22.146 1.00 0.00 H new ATOM 0 HE2 TYR C 22 -3.204 6.108 -18.474 1.00 0.00 H new ATOM 0 HH TYR C 22 -4.532 5.495 -20.160 1.00 0.00 H new ATOM 990 N GLY C 23 3.948 4.419 -17.196 1.00 0.00 N ATOM 991 CA GLY C 23 5.381 4.481 -16.942 1.00 0.00 C ATOM 992 C GLY C 23 6.007 3.094 -17.014 1.00 0.00 C ATOM 993 O GLY C 23 6.365 2.510 -15.992 1.00 0.00 O ATOM 0 H GLY C 23 3.363 4.545 -16.370 1.00 0.00 H new ATOM 0 HA2 GLY C 23 5.856 5.137 -17.672 1.00 0.00 H new ATOM 0 HA3 GLY C 23 5.562 4.915 -15.959 1.00 0.00 H new ATOM 997 N SER C 24 6.134 2.571 -18.231 1.00 0.00 N ATOM 998 CA SER C 24 6.720 1.248 -18.425 1.00 0.00 C ATOM 999 C SER C 24 8.217 1.273 -18.124 1.00 0.00 C ATOM 1000 O SER C 24 8.573 1.648 -17.019 1.00 0.00 O ATOM 1001 CB SER C 24 6.493 0.784 -19.862 1.00 0.00 C ATOM 1002 OG SER C 24 7.132 -0.475 -20.057 1.00 0.00 O ATOM 0 H SER C 24 5.842 3.038 -19.090 1.00 0.00 H new ATOM 0 HA SER C 24 6.237 0.553 -17.738 1.00 0.00 H new ATOM 0 HB2 SER C 24 5.425 0.698 -20.064 1.00 0.00 H new ATOM 0 HB3 SER C 24 6.892 1.519 -20.561 1.00 0.00 H new ATOM 0 HG SER C 24 6.987 -0.776 -20.978 1.00 0.00 H new TER 1008 SER C 24