USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 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 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 125:sc= -0.81! USER MOD Single : A 436 THR OG1 : rot -97:sc= -2.19! USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl 155:sc= -0.115 (180deg=-0.817) USER MOD Single : A 453 THR OG1 : rot 92:sc= 1.01 USER MOD Single : A 463 CYS SG : rot 79:sc= 0.174 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 468 TYR OH : rot 180:sc= 0 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 11.860 6.033 -1.861 1.00 1.00 N ATOM 2 CA GLY A 430 11.735 7.101 -2.893 1.00 1.00 C ATOM 3 C GLY A 430 10.263 7.432 -3.106 1.00 1.00 C ATOM 4 O GLY A 430 9.386 6.621 -2.810 1.00 1.00 O ATOM 0 HA2 GLY A 430 12.277 7.992 -2.577 1.00 1.00 H new ATOM 0 HA3 GLY A 430 12.184 6.771 -3.830 1.00 1.00 H new ATOM 10 N LYS A 431 9.999 8.629 -3.617 1.00 1.00 N ATOM 11 CA LYS A 431 8.627 9.057 -3.864 1.00 1.00 C ATOM 12 C LYS A 431 7.958 8.150 -4.891 1.00 1.00 C ATOM 13 O LYS A 431 6.808 7.747 -4.722 1.00 1.00 O ATOM 14 CB LYS A 431 8.615 10.504 -4.365 1.00 1.00 C ATOM 15 CG LYS A 431 7.169 10.986 -4.506 1.00 1.00 C ATOM 16 CD LYS A 431 7.161 12.449 -4.952 1.00 1.00 C ATOM 17 CE LYS A 431 5.717 12.938 -5.078 1.00 1.00 C ATOM 18 NZ LYS A 431 5.711 14.368 -5.498 1.00 1.00 N ATOM 0 H LYS A 431 10.711 9.316 -3.867 1.00 1.00 H new ATOM 0 HA LYS A 431 8.071 8.993 -2.929 1.00 1.00 H new ATOM 0 HB2 LYS A 431 9.157 11.145 -3.669 1.00 1.00 H new ATOM 0 HB3 LYS A 431 9.127 10.571 -5.325 1.00 1.00 H new ATOM 0 HG2 LYS A 431 6.638 10.370 -5.232 1.00 1.00 H new ATOM 0 HG3 LYS A 431 6.645 10.881 -3.556 1.00 1.00 H new ATOM 0 HD2 LYS A 431 7.702 13.062 -4.232 1.00 1.00 H new ATOM 0 HD3 LYS A 431 7.675 12.551 -5.908 1.00 1.00 H new ATOM 0 HE2 LYS A 431 5.179 12.332 -5.807 1.00 1.00 H new ATOM 0 HE3 LYS A 431 5.199 12.826 -4.125 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 4.729 14.701 -5.584 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 6.210 14.941 -4.787 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 6.190 14.462 -6.416 1.00 1.00 H new ATOM 32 N ARG A 432 8.683 7.837 -5.962 1.00 1.00 N ATOM 33 CA ARG A 432 8.143 6.980 -7.012 1.00 1.00 C ATOM 34 C ARG A 432 7.804 5.598 -6.458 1.00 1.00 C ATOM 35 O ARG A 432 6.749 5.041 -6.761 1.00 1.00 O ATOM 36 CB ARG A 432 9.161 6.849 -8.149 1.00 1.00 C ATOM 37 CG ARG A 432 8.564 6.024 -9.295 1.00 1.00 C ATOM 38 CD ARG A 432 9.596 5.889 -10.416 1.00 1.00 C ATOM 39 NE ARG A 432 8.993 5.252 -11.582 1.00 1.00 N ATOM 40 CZ ARG A 432 9.745 4.746 -12.555 1.00 1.00 C ATOM 41 NH1 ARG A 432 11.046 4.815 -12.476 1.00 1.00 N ATOM 42 NH2 ARG A 432 9.183 4.181 -13.588 1.00 1.00 N ATOM 0 H ARG A 432 9.637 8.161 -6.124 1.00 1.00 H new ATOM 0 HA ARG A 432 7.229 7.434 -7.395 1.00 1.00 H new ATOM 0 HB2 ARG A 432 9.444 7.838 -8.511 1.00 1.00 H new ATOM 0 HB3 ARG A 432 10.070 6.372 -7.782 1.00 1.00 H new ATOM 0 HG2 ARG A 432 8.272 5.038 -8.934 1.00 1.00 H new ATOM 0 HG3 ARG A 432 7.662 6.505 -9.672 1.00 1.00 H new ATOM 0 HD2 ARG A 432 9.980 6.873 -10.688 1.00 1.00 H new ATOM 0 HD3 ARG A 432 10.445 5.300 -10.069 1.00 1.00 H new ATOM 0 HE ARG A 432 7.977 5.194 -11.652 1.00 1.00 H new ATOM 0 HH11 ARG A 432 11.485 5.257 -11.668 1.00 1.00 H new ATOM 0 HH12 ARG A 432 11.624 4.427 -13.222 1.00 1.00 H new ATOM 0 HH21 ARG A 432 8.166 4.127 -13.650 1.00 1.00 H new ATOM 0 HH22 ARG A 432 9.760 3.793 -14.334 1.00 1.00 H new ATOM 56 N SER A 433 8.701 5.049 -5.642 1.00 1.00 N ATOM 57 CA SER A 433 8.474 3.733 -5.056 1.00 1.00 C ATOM 58 C SER A 433 9.287 3.561 -3.776 1.00 1.00 C ATOM 59 O SER A 433 10.249 4.292 -3.536 1.00 1.00 O ATOM 60 CB SER A 433 8.856 2.644 -6.057 1.00 1.00 C ATOM 61 OG SER A 433 10.180 2.876 -6.521 1.00 1.00 O ATOM 0 H SER A 433 9.581 5.490 -5.375 1.00 1.00 H new ATOM 0 HA SER A 433 7.416 3.646 -4.810 1.00 1.00 H new ATOM 0 HB2 SER A 433 8.790 1.663 -5.587 1.00 1.00 H new ATOM 0 HB3 SER A 433 8.159 2.644 -6.895 1.00 1.00 H new ATOM 0 HG SER A 433 10.727 2.078 -6.363 1.00 1.00 H new ATOM 67 N TRP A 434 8.895 2.590 -2.956 1.00 1.00 N ATOM 68 CA TRP A 434 9.594 2.332 -1.703 1.00 1.00 C ATOM 69 C TRP A 434 10.763 1.372 -1.913 1.00 1.00 C ATOM 70 O TRP A 434 11.624 1.231 -1.044 1.00 1.00 O ATOM 71 CB TRP A 434 8.624 1.738 -0.679 1.00 1.00 C ATOM 72 CG TRP A 434 7.613 2.770 -0.296 1.00 1.00 C ATOM 73 CD1 TRP A 434 6.331 2.799 -0.728 1.00 1.00 C ATOM 74 CD2 TRP A 434 7.774 3.919 0.585 1.00 1.00 C ATOM 75 NE1 TRP A 434 5.696 3.893 -0.168 1.00 1.00 N ATOM 76 CE2 TRP A 434 6.543 4.614 0.649 1.00 1.00 C ATOM 77 CE3 TRP A 434 8.859 4.422 1.327 1.00 1.00 C ATOM 78 CZ2 TRP A 434 6.392 5.766 1.421 1.00 1.00 C ATOM 79 CZ3 TRP A 434 8.710 5.581 2.106 1.00 1.00 C ATOM 80 CH2 TRP A 434 7.479 6.252 2.153 1.00 1.00 C ATOM 0 H TRP A 434 8.103 1.973 -3.136 1.00 1.00 H new ATOM 0 HA TRP A 434 9.986 3.279 -1.333 1.00 1.00 H new ATOM 0 HB2 TRP A 434 8.126 0.863 -1.098 1.00 1.00 H new ATOM 0 HB3 TRP A 434 9.169 1.402 0.203 1.00 1.00 H new ATOM 0 HD1 TRP A 434 5.878 2.085 -1.400 1.00 1.00 H new ATOM 0 HE1 TRP A 434 4.720 4.137 -0.338 1.00 1.00 H new ATOM 0 HE3 TRP A 434 9.812 3.914 1.297 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 5.442 6.279 1.453 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 9.549 5.958 2.673 1.00 1.00 H new ATOM 0 HH2 TRP A 434 7.371 7.143 2.754 1.00 1.00 H new ATOM 91 N ASP A 435 10.792 0.712 -3.065 1.00 1.00 N ATOM 92 CA ASP A 435 11.865 -0.234 -3.354 1.00 1.00 C ATOM 93 C ASP A 435 13.140 0.506 -3.741 1.00 1.00 C ATOM 94 O ASP A 435 14.200 -0.103 -3.910 1.00 1.00 O ATOM 95 CB ASP A 435 11.450 -1.168 -4.491 1.00 1.00 C ATOM 96 CG ASP A 435 11.049 -0.354 -5.715 1.00 1.00 C ATOM 97 OD1 ASP A 435 11.015 0.860 -5.608 1.00 1.00 O ATOM 98 OD2 ASP A 435 10.783 -0.956 -6.742 1.00 1.00 O ATOM 0 H ASP A 435 10.097 0.811 -3.805 1.00 1.00 H new ATOM 0 HA ASP A 435 12.056 -0.821 -2.456 1.00 1.00 H new ATOM 0 HB2 ASP A 435 12.274 -1.836 -4.742 1.00 1.00 H new ATOM 0 HB3 ASP A 435 10.617 -1.795 -4.172 1.00 1.00 H new ATOM 103 N THR A 436 13.044 1.827 -3.853 1.00 1.00 N ATOM 104 CA THR A 436 14.203 2.634 -4.197 1.00 1.00 C ATOM 105 C THR A 436 15.193 2.631 -3.043 1.00 1.00 C ATOM 106 O THR A 436 16.366 2.939 -3.213 1.00 1.00 O ATOM 107 CB THR A 436 13.770 4.070 -4.503 1.00 1.00 C ATOM 108 OG1 THR A 436 13.099 4.610 -3.373 1.00 1.00 O ATOM 109 CG2 THR A 436 12.829 4.075 -5.708 1.00 1.00 C ATOM 0 H THR A 436 12.183 2.355 -3.712 1.00 1.00 H new ATOM 0 HA THR A 436 14.680 2.211 -5.081 1.00 1.00 H new ATOM 0 HB THR A 436 14.648 4.675 -4.729 1.00 1.00 H new ATOM 0 HG1 THR A 436 12.131 4.523 -3.495 1.00 1.00 H new ATOM 0 HG21 THR A 436 12.521 5.098 -5.925 1.00 1.00 H new ATOM 0 HG22 THR A 436 13.345 3.660 -6.574 1.00 1.00 H new ATOM 0 HG23 THR A 436 11.949 3.471 -5.485 1.00 1.00 H new ATOM 117 N GLU A 437 14.714 2.277 -1.862 1.00 1.00 N ATOM 118 CA GLU A 437 15.590 2.237 -0.705 1.00 1.00 C ATOM 119 C GLU A 437 16.635 1.133 -0.867 1.00 1.00 C ATOM 120 O GLU A 437 17.806 1.317 -0.538 1.00 1.00 O ATOM 121 CB GLU A 437 14.771 1.987 0.562 1.00 1.00 C ATOM 122 CG GLU A 437 13.887 3.202 0.848 1.00 1.00 C ATOM 123 CD GLU A 437 13.002 2.931 2.060 1.00 1.00 C ATOM 124 OE1 GLU A 437 13.116 1.855 2.624 1.00 1.00 O ATOM 125 OE2 GLU A 437 12.222 3.802 2.405 1.00 1.00 O ATOM 0 H GLU A 437 13.744 2.018 -1.681 1.00 1.00 H new ATOM 0 HA GLU A 437 16.099 3.197 -0.622 1.00 1.00 H new ATOM 0 HB2 GLU A 437 14.154 1.097 0.439 1.00 1.00 H new ATOM 0 HB3 GLU A 437 15.435 1.801 1.406 1.00 1.00 H new ATOM 0 HG2 GLU A 437 14.508 4.079 1.030 1.00 1.00 H new ATOM 0 HG3 GLU A 437 13.268 3.425 -0.022 1.00 1.00 H new ATOM 132 N SER A 438 16.190 -0.017 -1.379 1.00 1.00 N ATOM 133 CA SER A 438 17.084 -1.159 -1.580 1.00 1.00 C ATOM 134 C SER A 438 18.108 -0.928 -2.696 1.00 1.00 C ATOM 135 O SER A 438 19.280 -1.282 -2.546 1.00 1.00 O ATOM 136 CB SER A 438 16.257 -2.401 -1.908 1.00 1.00 C ATOM 137 OG SER A 438 15.359 -2.665 -0.839 1.00 1.00 O ATOM 0 H SER A 438 15.223 -0.181 -1.660 1.00 1.00 H new ATOM 0 HA SER A 438 17.640 -1.295 -0.653 1.00 1.00 H new ATOM 0 HB2 SER A 438 15.703 -2.248 -2.834 1.00 1.00 H new ATOM 0 HB3 SER A 438 16.913 -3.257 -2.067 1.00 1.00 H new ATOM 0 HG SER A 438 14.826 -3.460 -1.048 1.00 1.00 H new ATOM 143 N VAL A 439 17.677 -0.360 -3.821 1.00 1.00 N ATOM 144 CA VAL A 439 18.606 -0.139 -4.931 1.00 1.00 C ATOM 145 C VAL A 439 19.665 0.898 -4.570 1.00 1.00 C ATOM 146 O VAL A 439 20.829 0.760 -4.948 1.00 1.00 O ATOM 147 CB VAL A 439 17.863 0.287 -6.202 1.00 1.00 C ATOM 148 CG1 VAL A 439 16.639 -0.608 -6.404 1.00 1.00 C ATOM 149 CG2 VAL A 439 17.422 1.742 -6.086 1.00 1.00 C ATOM 0 H VAL A 439 16.719 -0.052 -3.988 1.00 1.00 H new ATOM 0 HA VAL A 439 19.106 -1.088 -5.126 1.00 1.00 H new ATOM 0 HB VAL A 439 18.531 0.186 -7.057 1.00 1.00 H new ATOM 0 HG11 VAL A 439 16.111 -0.304 -7.308 1.00 1.00 H new ATOM 0 HG12 VAL A 439 16.959 -1.645 -6.502 1.00 1.00 H new ATOM 0 HG13 VAL A 439 15.973 -0.513 -5.546 1.00 1.00 H new ATOM 0 HG21 VAL A 439 16.895 2.036 -6.994 1.00 1.00 H new ATOM 0 HG22 VAL A 439 16.758 1.854 -5.229 1.00 1.00 H new ATOM 0 HG23 VAL A 439 18.297 2.378 -5.953 1.00 1.00 H new ATOM 159 N LEU A 440 19.261 1.940 -3.848 1.00 1.00 N ATOM 160 CA LEU A 440 20.195 2.992 -3.465 1.00 1.00 C ATOM 161 C LEU A 440 21.308 2.439 -2.569 1.00 1.00 C ATOM 162 O LEU A 440 22.476 2.799 -2.711 1.00 1.00 O ATOM 163 CB LEU A 440 19.452 4.113 -2.732 1.00 1.00 C ATOM 164 CG LEU A 440 18.566 4.881 -3.723 1.00 1.00 C ATOM 165 CD1 LEU A 440 17.620 5.802 -2.950 1.00 1.00 C ATOM 166 CD2 LEU A 440 19.429 5.730 -4.671 1.00 1.00 C ATOM 0 H LEU A 440 18.305 2.077 -3.520 1.00 1.00 H new ATOM 0 HA LEU A 440 20.648 3.390 -4.373 1.00 1.00 H new ATOM 0 HB2 LEU A 440 18.841 3.695 -1.932 1.00 1.00 H new ATOM 0 HB3 LEU A 440 20.166 4.792 -2.266 1.00 1.00 H new ATOM 0 HG LEU A 440 17.994 4.162 -4.310 1.00 1.00 H new ATOM 0 HD11 LEU A 440 16.990 6.348 -3.652 1.00 1.00 H new ATOM 0 HD12 LEU A 440 16.993 5.206 -2.287 1.00 1.00 H new ATOM 0 HD13 LEU A 440 18.203 6.509 -2.359 1.00 1.00 H new ATOM 0 HD21 LEU A 440 18.784 6.267 -5.367 1.00 1.00 H new ATOM 0 HD22 LEU A 440 20.012 6.445 -4.090 1.00 1.00 H new ATOM 0 HD23 LEU A 440 20.103 5.080 -5.229 1.00 1.00 H new ATOM 178 N ALA A 441 20.922 1.580 -1.638 1.00 1.00 N ATOM 179 CA ALA A 441 21.883 0.993 -0.704 1.00 1.00 C ATOM 180 C ALA A 441 22.972 0.189 -1.430 1.00 1.00 C ATOM 181 O ALA A 441 24.113 0.121 -0.965 1.00 1.00 O ATOM 182 CB ALA A 441 21.151 0.075 0.277 1.00 1.00 C ATOM 0 H ALA A 441 19.958 1.273 -1.506 1.00 1.00 H new ATOM 0 HA ALA A 441 22.366 1.812 -0.171 1.00 1.00 H new ATOM 0 HB1 ALA A 441 21.869 -0.361 0.972 1.00 1.00 H new ATOM 0 HB2 ALA A 441 20.412 0.652 0.833 1.00 1.00 H new ATOM 0 HB3 ALA A 441 20.650 -0.721 -0.274 1.00 1.00 H new ATOM 188 N MET A 442 22.619 -0.457 -2.535 1.00 1.00 N ATOM 189 CA MET A 442 23.583 -1.285 -3.264 1.00 1.00 C ATOM 190 C MET A 442 24.767 -0.492 -3.856 1.00 1.00 C ATOM 191 O MET A 442 25.897 -0.978 -3.810 1.00 1.00 O ATOM 192 CB MET A 442 22.864 -2.020 -4.397 1.00 1.00 C ATOM 193 CG MET A 442 22.032 -3.164 -3.816 1.00 1.00 C ATOM 194 SD MET A 442 21.097 -3.970 -5.142 1.00 1.00 S ATOM 195 CE MET A 442 22.497 -4.731 -6.002 1.00 1.00 C ATOM 0 H MET A 442 21.686 -0.427 -2.945 1.00 1.00 H new ATOM 0 HA MET A 442 24.002 -1.980 -2.536 1.00 1.00 H new ATOM 0 HB2 MET A 442 22.221 -1.329 -4.942 1.00 1.00 H new ATOM 0 HB3 MET A 442 23.590 -2.410 -5.110 1.00 1.00 H new ATOM 0 HG2 MET A 442 22.683 -3.887 -3.325 1.00 1.00 H new ATOM 0 HG3 MET A 442 21.350 -2.782 -3.057 1.00 1.00 H new ATOM 0 HE1 MET A 442 22.153 -5.604 -6.556 1.00 1.00 H new ATOM 0 HE2 MET A 442 22.934 -4.011 -6.694 1.00 1.00 H new ATOM 0 HE3 MET A 442 23.248 -5.037 -5.274 1.00 1.00 H new ATOM 205 N TRP A 443 24.543 0.689 -4.438 1.00 1.00 N ATOM 206 CA TRP A 443 25.675 1.418 -5.038 1.00 1.00 C ATOM 207 C TRP A 443 26.645 1.935 -3.975 1.00 1.00 C ATOM 208 O TRP A 443 27.853 1.929 -4.211 1.00 1.00 O ATOM 209 CB TRP A 443 25.226 2.589 -5.922 1.00 1.00 C ATOM 210 CG TRP A 443 24.398 3.549 -5.144 1.00 1.00 C ATOM 211 CD1 TRP A 443 23.056 3.584 -5.146 1.00 1.00 C ATOM 212 CD2 TRP A 443 24.838 4.618 -4.260 1.00 1.00 C ATOM 213 NE1 TRP A 443 22.635 4.609 -4.314 1.00 1.00 N ATOM 214 CE2 TRP A 443 23.699 5.273 -3.743 1.00 1.00 C ATOM 215 CE3 TRP A 443 26.103 5.074 -3.860 1.00 1.00 C ATOM 216 CZ2 TRP A 443 23.810 6.347 -2.858 1.00 1.00 C ATOM 217 CZ3 TRP A 443 26.222 6.154 -2.969 1.00 1.00 C ATOM 218 CH2 TRP A 443 25.077 6.789 -2.469 1.00 1.00 C ATOM 0 H TRP A 443 23.635 1.148 -4.509 1.00 1.00 H new ATOM 0 HA TRP A 443 26.186 0.691 -5.669 1.00 1.00 H new ATOM 0 HB2 TRP A 443 26.099 3.100 -6.328 1.00 1.00 H new ATOM 0 HB3 TRP A 443 24.654 2.212 -6.770 1.00 1.00 H new ATOM 0 HD1 TRP A 443 22.411 2.922 -5.704 1.00 1.00 H new ATOM 0 HE1 TRP A 443 21.657 4.843 -4.145 1.00 1.00 H new ATOM 0 HE3 TRP A 443 26.992 4.592 -4.240 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 22.924 6.832 -2.477 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 27.201 6.497 -2.668 1.00 1.00 H new ATOM 0 HH2 TRP A 443 25.174 7.619 -1.784 1.00 1.00 H new ATOM 229 N VAL A 444 26.171 2.377 -2.813 1.00 1.00 N ATOM 230 CA VAL A 444 27.093 2.869 -1.793 1.00 1.00 C ATOM 231 C VAL A 444 28.025 1.747 -1.343 1.00 1.00 C ATOM 232 O VAL A 444 29.224 1.966 -1.181 1.00 1.00 O ATOM 233 CB VAL A 444 26.337 3.482 -0.605 1.00 1.00 C ATOM 234 CG1 VAL A 444 25.319 2.491 -0.044 1.00 1.00 C ATOM 235 CG2 VAL A 444 27.337 3.853 0.492 1.00 1.00 C ATOM 0 H VAL A 444 25.184 2.405 -2.558 1.00 1.00 H new ATOM 0 HA VAL A 444 27.699 3.663 -2.230 1.00 1.00 H new ATOM 0 HB VAL A 444 25.808 4.371 -0.948 1.00 1.00 H new ATOM 0 HG11 VAL A 444 24.794 2.945 0.797 1.00 1.00 H new ATOM 0 HG12 VAL A 444 24.601 2.228 -0.821 1.00 1.00 H new ATOM 0 HG13 VAL A 444 25.834 1.592 0.293 1.00 1.00 H new ATOM 0 HG21 VAL A 444 26.805 4.289 1.337 1.00 1.00 H new ATOM 0 HG22 VAL A 444 27.867 2.958 0.819 1.00 1.00 H new ATOM 0 HG23 VAL A 444 28.053 4.577 0.102 1.00 1.00 H new ATOM 245 N LEU A 445 27.490 0.546 -1.165 1.00 1.00 N ATOM 246 CA LEU A 445 28.318 -0.586 -0.762 1.00 1.00 C ATOM 247 C LEU A 445 29.360 -0.858 -1.847 1.00 1.00 C ATOM 248 O LEU A 445 30.522 -1.127 -1.541 1.00 1.00 O ATOM 249 CB LEU A 445 27.441 -1.829 -0.553 1.00 1.00 C ATOM 250 CG LEU A 445 28.306 -3.032 -0.152 1.00 1.00 C ATOM 251 CD1 LEU A 445 29.093 -2.713 1.122 1.00 1.00 C ATOM 252 CD2 LEU A 445 27.403 -4.242 0.104 1.00 1.00 C ATOM 0 H LEU A 445 26.501 0.331 -1.291 1.00 1.00 H new ATOM 0 HA LEU A 445 28.822 -0.352 0.176 1.00 1.00 H new ATOM 0 HB2 LEU A 445 26.699 -1.632 0.221 1.00 1.00 H new ATOM 0 HB3 LEU A 445 26.895 -2.055 -1.469 1.00 1.00 H new ATOM 0 HG LEU A 445 29.005 -3.253 -0.959 1.00 1.00 H new ATOM 0 HD11 LEU A 445 29.703 -3.573 1.398 1.00 1.00 H new ATOM 0 HD12 LEU A 445 29.738 -1.852 0.945 1.00 1.00 H new ATOM 0 HD13 LEU A 445 28.399 -2.486 1.931 1.00 1.00 H new ATOM 0 HD21 LEU A 445 28.014 -5.098 0.389 1.00 1.00 H new ATOM 0 HD22 LEU A 445 26.704 -4.011 0.908 1.00 1.00 H new ATOM 0 HD23 LEU A 445 26.847 -4.479 -0.803 1.00 1.00 H new ATOM 264 N ALA A 446 28.949 -0.786 -3.109 1.00 1.00 N ATOM 265 CA ALA A 446 29.876 -1.029 -4.212 1.00 1.00 C ATOM 266 C ALA A 446 31.022 -0.018 -4.170 1.00 1.00 C ATOM 267 O ALA A 446 32.176 -0.370 -4.403 1.00 1.00 O ATOM 268 CB ALA A 446 29.143 -0.915 -5.550 1.00 1.00 C ATOM 0 H ALA A 446 27.995 -0.565 -3.393 1.00 1.00 H new ATOM 0 HA ALA A 446 30.282 -2.035 -4.109 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.843 -1.098 -6.365 1.00 1.00 H new ATOM 0 HB2 ALA A 446 28.340 -1.651 -5.589 1.00 1.00 H new ATOM 0 HB3 ALA A 446 28.723 0.086 -5.650 1.00 1.00 H new ATOM 274 N LEU A 447 30.702 1.231 -3.851 1.00 1.00 N ATOM 275 CA LEU A 447 31.725 2.273 -3.759 1.00 1.00 C ATOM 276 C LEU A 447 32.713 1.948 -2.643 1.00 1.00 C ATOM 277 O LEU A 447 33.911 2.191 -2.790 1.00 1.00 O ATOM 278 CB LEU A 447 31.092 3.642 -3.499 1.00 1.00 C ATOM 279 CG LEU A 447 30.313 4.110 -4.735 1.00 1.00 C ATOM 280 CD1 LEU A 447 29.571 5.405 -4.403 1.00 1.00 C ATOM 281 CD2 LEU A 447 31.272 4.364 -5.905 1.00 1.00 C ATOM 0 H LEU A 447 29.753 1.547 -3.653 1.00 1.00 H new ATOM 0 HA LEU A 447 32.253 2.308 -4.712 1.00 1.00 H new ATOM 0 HB2 LEU A 447 30.424 3.584 -2.640 1.00 1.00 H new ATOM 0 HB3 LEU A 447 31.867 4.368 -3.252 1.00 1.00 H new ATOM 0 HG LEU A 447 29.603 3.334 -5.020 1.00 1.00 H new ATOM 0 HD11 LEU A 447 29.016 5.741 -5.279 1.00 1.00 H new ATOM 0 HD12 LEU A 447 28.878 5.227 -3.581 1.00 1.00 H new ATOM 0 HD13 LEU A 447 30.289 6.172 -4.112 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.705 4.695 -6.775 1.00 1.00 H new ATOM 0 HD22 LEU A 447 31.991 5.134 -5.626 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.803 3.443 -6.147 1.00 1.00 H new ATOM 293 N ILE A 448 32.223 1.423 -1.526 1.00 1.00 N ATOM 294 CA ILE A 448 33.105 1.107 -0.403 1.00 1.00 C ATOM 295 C ILE A 448 34.136 0.059 -0.821 1.00 1.00 C ATOM 296 O ILE A 448 35.316 0.163 -0.501 1.00 1.00 O ATOM 297 CB ILE A 448 32.290 0.580 0.783 1.00 1.00 C ATOM 298 CG1 ILE A 448 31.404 1.698 1.372 1.00 1.00 C ATOM 299 CG2 ILE A 448 33.235 0.040 1.855 1.00 1.00 C ATOM 300 CD1 ILE A 448 32.248 2.880 1.880 1.00 1.00 C ATOM 0 H ILE A 448 31.238 1.209 -1.372 1.00 1.00 H new ATOM 0 HA ILE A 448 33.621 2.019 -0.103 1.00 1.00 H new ATOM 0 HB ILE A 448 31.642 -0.224 0.435 1.00 1.00 H new ATOM 0 HG12 ILE A 448 30.706 2.049 0.612 1.00 1.00 H new ATOM 0 HG13 ILE A 448 30.808 1.297 2.192 1.00 1.00 H new ATOM 0 HG21 ILE A 448 32.654 -0.334 2.698 1.00 1.00 H new ATOM 0 HG22 ILE A 448 33.833 -0.770 1.438 1.00 1.00 H new ATOM 0 HG23 ILE A 448 33.894 0.839 2.195 1.00 1.00 H new ATOM 0 HD11 ILE A 448 31.591 3.648 2.288 1.00 1.00 H new ATOM 0 HD12 ILE A 448 32.928 2.534 2.658 1.00 1.00 H new ATOM 0 HD13 ILE A 448 32.824 3.297 1.054 1.00 1.00 H new ATOM 312 N VAL A 449 33.663 -0.951 -1.540 1.00 1.00 N ATOM 313 CA VAL A 449 34.528 -2.032 -2.012 1.00 1.00 C ATOM 314 C VAL A 449 35.591 -1.501 -2.980 1.00 1.00 C ATOM 315 O VAL A 449 36.752 -1.906 -2.909 1.00 1.00 O ATOM 316 CB VAL A 449 33.688 -3.101 -2.705 1.00 1.00 C ATOM 317 CG1 VAL A 449 34.620 -4.119 -3.362 1.00 1.00 C ATOM 318 CG2 VAL A 449 32.803 -3.800 -1.667 1.00 1.00 C ATOM 0 H VAL A 449 32.684 -1.047 -1.811 1.00 1.00 H new ATOM 0 HA VAL A 449 35.034 -2.467 -1.150 1.00 1.00 H new ATOM 0 HB VAL A 449 33.056 -2.644 -3.466 1.00 1.00 H new ATOM 0 HG11 VAL A 449 34.027 -4.887 -3.860 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.250 -3.615 -4.095 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.248 -4.582 -2.601 1.00 1.00 H new ATOM 0 HG21 VAL A 449 32.201 -4.565 -2.158 1.00 1.00 H new ATOM 0 HG22 VAL A 449 33.431 -4.265 -0.907 1.00 1.00 H new ATOM 0 HG23 VAL A 449 32.146 -3.068 -1.197 1.00 1.00 H new ATOM 328 N ILE A 450 35.198 -0.618 -3.889 1.00 1.00 N ATOM 329 CA ILE A 450 36.124 -0.054 -4.875 1.00 1.00 C ATOM 330 C ILE A 450 37.236 0.745 -4.195 1.00 1.00 C ATOM 331 O ILE A 450 38.380 0.653 -4.600 1.00 1.00 O ATOM 332 CB ILE A 450 35.373 0.883 -5.826 1.00 1.00 C ATOM 333 CG1 ILE A 450 34.396 0.076 -6.682 1.00 1.00 C ATOM 334 CG2 ILE A 450 36.375 1.600 -6.743 1.00 1.00 C ATOM 335 CD1 ILE A 450 33.443 1.030 -7.407 1.00 1.00 C ATOM 0 H ILE A 450 34.241 -0.273 -3.968 1.00 1.00 H new ATOM 0 HA ILE A 450 36.562 -0.886 -5.426 1.00 1.00 H new ATOM 0 HB ILE A 450 34.822 1.619 -5.240 1.00 1.00 H new ATOM 0 HG12 ILE A 450 34.943 -0.528 -7.406 1.00 1.00 H new ATOM 0 HG13 ILE A 450 33.830 -0.613 -6.055 1.00 1.00 H new ATOM 0 HG21 ILE A 450 35.838 2.266 -7.419 1.00 1.00 H new ATOM 0 HG22 ILE A 450 37.071 2.181 -6.138 1.00 1.00 H new ATOM 0 HG23 ILE A 450 36.928 0.863 -7.324 1.00 1.00 H new ATOM 0 HD11 ILE A 450 32.747 0.455 -8.017 1.00 1.00 H new ATOM 0 HD12 ILE A 450 32.886 1.614 -6.674 1.00 1.00 H new ATOM 0 HD13 ILE A 450 34.017 1.701 -8.046 1.00 1.00 H new ATOM 347 N PHE A 451 36.906 1.555 -3.192 1.00 1.00 N ATOM 348 CA PHE A 451 37.943 2.356 -2.540 1.00 1.00 C ATOM 349 C PHE A 451 38.971 1.464 -1.859 1.00 1.00 C ATOM 350 O PHE A 451 40.173 1.682 -1.988 1.00 1.00 O ATOM 351 CB PHE A 451 37.387 3.363 -1.515 1.00 1.00 C ATOM 352 CG PHE A 451 36.677 4.501 -2.224 1.00 1.00 C ATOM 353 CD1 PHE A 451 37.405 5.412 -3.004 1.00 1.00 C ATOM 354 CD2 PHE A 451 35.293 4.652 -2.089 1.00 1.00 C ATOM 355 CE1 PHE A 451 36.747 6.469 -3.648 1.00 1.00 C ATOM 356 CE2 PHE A 451 34.636 5.709 -2.731 1.00 1.00 C ATOM 357 CZ PHE A 451 35.363 6.617 -3.510 1.00 1.00 C ATOM 0 H PHE A 451 35.963 1.674 -2.821 1.00 1.00 H new ATOM 0 HA PHE A 451 38.414 2.930 -3.338 1.00 1.00 H new ATOM 0 HB2 PHE A 451 36.696 2.860 -0.839 1.00 1.00 H new ATOM 0 HB3 PHE A 451 38.200 3.757 -0.905 1.00 1.00 H new ATOM 0 HD1 PHE A 451 38.474 5.299 -3.108 1.00 1.00 H new ATOM 0 HD2 PHE A 451 34.730 3.952 -1.489 1.00 1.00 H new ATOM 0 HE1 PHE A 451 37.308 7.168 -4.250 1.00 1.00 H new ATOM 0 HE2 PHE A 451 33.567 5.824 -2.625 1.00 1.00 H new ATOM 0 HZ PHE A 451 34.855 7.432 -4.004 1.00 1.00 H new ATOM 367 N LEU A 452 38.494 0.454 -1.151 1.00 1.00 N ATOM 368 CA LEU A 452 39.380 -0.483 -0.475 1.00 1.00 C ATOM 369 C LEU A 452 40.224 -1.260 -1.477 1.00 1.00 C ATOM 370 O LEU A 452 41.416 -1.493 -1.266 1.00 1.00 O ATOM 371 CB LEU A 452 38.566 -1.449 0.394 1.00 1.00 C ATOM 372 CG LEU A 452 38.263 -0.836 1.774 1.00 1.00 C ATOM 373 CD1 LEU A 452 39.522 -0.874 2.647 1.00 1.00 C ATOM 374 CD2 LEU A 452 37.786 0.618 1.643 1.00 1.00 C ATOM 0 H LEU A 452 37.500 0.261 -1.029 1.00 1.00 H new ATOM 0 HA LEU A 452 40.053 0.088 0.164 1.00 1.00 H new ATOM 0 HB2 LEU A 452 37.632 -1.697 -0.110 1.00 1.00 H new ATOM 0 HB3 LEU A 452 39.117 -2.381 0.520 1.00 1.00 H new ATOM 0 HG LEU A 452 37.469 -1.424 2.236 1.00 1.00 H new ATOM 0 HD11 LEU A 452 39.302 -0.439 3.622 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.845 -1.907 2.775 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.316 -0.303 2.166 1.00 1.00 H new ATOM 0 HD21 LEU A 452 37.580 1.024 2.633 1.00 1.00 H new ATOM 0 HD22 LEU A 452 38.561 1.213 1.161 1.00 1.00 H new ATOM 0 HD23 LEU A 452 36.878 0.650 1.041 1.00 1.00 H new ATOM 386 N THR A 453 39.585 -1.649 -2.575 1.00 1.00 N ATOM 387 CA THR A 453 40.294 -2.397 -3.607 1.00 1.00 C ATOM 388 C THR A 453 41.408 -1.540 -4.195 1.00 1.00 C ATOM 389 O THR A 453 42.549 -1.978 -4.321 1.00 1.00 O ATOM 390 CB THR A 453 39.330 -2.824 -4.718 1.00 1.00 C ATOM 391 OG1 THR A 453 38.188 -3.436 -4.135 1.00 1.00 O ATOM 392 CG2 THR A 453 40.035 -3.824 -5.633 1.00 1.00 C ATOM 0 H THR A 453 38.601 -1.465 -2.771 1.00 1.00 H new ATOM 0 HA THR A 453 40.725 -3.290 -3.154 1.00 1.00 H new ATOM 0 HB THR A 453 39.020 -1.954 -5.297 1.00 1.00 H new ATOM 0 HG1 THR A 453 37.494 -2.760 -3.987 1.00 1.00 H new ATOM 0 HG21 THR A 453 39.355 -4.133 -6.427 1.00 1.00 H new ATOM 0 HG22 THR A 453 40.917 -3.357 -6.072 1.00 1.00 H new ATOM 0 HG23 THR A 453 40.337 -4.697 -5.054 1.00 1.00 H new ATOM 400 N ILE A 454 41.058 -0.308 -4.528 1.00 1.00 N ATOM 401 CA ILE A 454 42.017 0.636 -5.084 1.00 1.00 C ATOM 402 C ILE A 454 43.100 0.971 -4.062 1.00 1.00 C ATOM 403 O ILE A 454 44.277 1.074 -4.404 1.00 1.00 O ATOM 404 CB ILE A 454 41.314 1.915 -5.526 1.00 1.00 C ATOM 405 CG1 ILE A 454 40.411 1.612 -6.724 1.00 1.00 C ATOM 406 CG2 ILE A 454 42.364 2.955 -5.927 1.00 1.00 C ATOM 407 CD1 ILE A 454 39.521 2.823 -6.999 1.00 1.00 C ATOM 0 H ILE A 454 40.114 0.064 -4.423 1.00 1.00 H new ATOM 0 HA ILE A 454 42.484 0.169 -5.951 1.00 1.00 H new ATOM 0 HB ILE A 454 40.709 2.303 -4.706 1.00 1.00 H new ATOM 0 HG12 ILE A 454 41.015 1.383 -7.602 1.00 1.00 H new ATOM 0 HG13 ILE A 454 39.798 0.734 -6.520 1.00 1.00 H new ATOM 0 HG21 ILE A 454 41.866 3.871 -6.244 1.00 1.00 H new ATOM 0 HG22 ILE A 454 43.009 3.169 -5.074 1.00 1.00 H new ATOM 0 HG23 ILE A 454 42.966 2.566 -6.749 1.00 1.00 H new ATOM 0 HD11 ILE A 454 38.875 2.614 -7.852 1.00 1.00 H new ATOM 0 HD12 ILE A 454 38.908 3.031 -6.122 1.00 1.00 H new ATOM 0 HD13 ILE A 454 40.144 3.690 -7.220 1.00 1.00 H new ATOM 419 N ALA A 455 42.688 1.181 -2.816 1.00 1.00 N ATOM 420 CA ALA A 455 43.631 1.548 -1.768 1.00 1.00 C ATOM 421 C ALA A 455 44.730 0.504 -1.616 1.00 1.00 C ATOM 422 O ALA A 455 45.897 0.829 -1.401 1.00 1.00 O ATOM 423 CB ALA A 455 42.899 1.707 -0.433 1.00 1.00 C ATOM 0 H ALA A 455 41.718 1.104 -2.510 1.00 1.00 H new ATOM 0 HA ALA A 455 44.090 2.494 -2.055 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.613 1.981 0.343 1.00 1.00 H new ATOM 0 HB2 ALA A 455 42.143 2.487 -0.523 1.00 1.00 H new ATOM 0 HB3 ALA A 455 42.418 0.766 -0.167 1.00 1.00 H new ATOM 429 N VAL A 456 44.325 -0.761 -1.709 1.00 1.00 N ATOM 430 CA VAL A 456 45.257 -1.870 -1.561 1.00 1.00 C ATOM 431 C VAL A 456 46.322 -1.866 -2.654 1.00 1.00 C ATOM 432 O VAL A 456 47.503 -2.024 -2.360 1.00 1.00 O ATOM 433 CB VAL A 456 44.493 -3.193 -1.601 1.00 1.00 C ATOM 434 CG1 VAL A 456 45.482 -4.357 -1.667 1.00 1.00 C ATOM 435 CG2 VAL A 456 43.636 -3.328 -0.342 1.00 1.00 C ATOM 0 H VAL A 456 43.360 -1.040 -1.886 1.00 1.00 H new ATOM 0 HA VAL A 456 45.760 -1.755 -0.601 1.00 1.00 H new ATOM 0 HB VAL A 456 43.852 -3.211 -2.483 1.00 1.00 H new ATOM 0 HG11 VAL A 456 44.934 -5.299 -1.695 1.00 1.00 H new ATOM 0 HG12 VAL A 456 46.093 -4.265 -2.565 1.00 1.00 H new ATOM 0 HG13 VAL A 456 46.126 -4.338 -0.787 1.00 1.00 H new ATOM 0 HG21 VAL A 456 43.092 -4.272 -0.372 1.00 1.00 H new ATOM 0 HG22 VAL A 456 44.278 -3.307 0.539 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.927 -2.502 -0.294 1.00 1.00 H new ATOM 445 N LEU A 457 45.918 -1.686 -3.910 1.00 1.00 N ATOM 446 CA LEU A 457 46.896 -1.680 -4.998 1.00 1.00 C ATOM 447 C LEU A 457 47.885 -0.534 -4.841 1.00 1.00 C ATOM 448 O LEU A 457 49.082 -0.727 -5.046 1.00 1.00 O ATOM 449 CB LEU A 457 46.210 -1.580 -6.370 1.00 1.00 C ATOM 450 CG LEU A 457 45.787 -2.969 -6.875 1.00 1.00 C ATOM 451 CD1 LEU A 457 44.706 -3.562 -5.975 1.00 1.00 C ATOM 452 CD2 LEU A 457 45.236 -2.841 -8.295 1.00 1.00 C ATOM 0 H LEU A 457 44.949 -1.546 -4.196 1.00 1.00 H new ATOM 0 HA LEU A 457 47.436 -2.625 -4.945 1.00 1.00 H new ATOM 0 HB2 LEU A 457 45.336 -0.933 -6.297 1.00 1.00 H new ATOM 0 HB3 LEU A 457 46.889 -1.119 -7.088 1.00 1.00 H new ATOM 0 HG LEU A 457 46.657 -3.626 -6.863 1.00 1.00 H new ATOM 0 HD11 LEU A 457 44.420 -4.545 -6.349 1.00 1.00 H new ATOM 0 HD12 LEU A 457 45.090 -3.658 -4.959 1.00 1.00 H new ATOM 0 HD13 LEU A 457 43.835 -2.907 -5.973 1.00 1.00 H new ATOM 0 HD21 LEU A 457 44.934 -3.823 -8.658 1.00 1.00 H new ATOM 0 HD22 LEU A 457 44.373 -2.175 -8.292 1.00 1.00 H new ATOM 0 HD23 LEU A 457 46.007 -2.433 -8.949 1.00 1.00 H new ATOM 464 N LEU A 458 47.412 0.651 -4.477 1.00 1.00 N ATOM 465 CA LEU A 458 48.330 1.773 -4.309 1.00 1.00 C ATOM 466 C LEU A 458 49.317 1.478 -3.183 1.00 1.00 C ATOM 467 O LEU A 458 50.517 1.715 -3.314 1.00 1.00 O ATOM 468 CB LEU A 458 47.546 3.046 -3.984 1.00 1.00 C ATOM 469 CG LEU A 458 46.746 3.489 -5.214 1.00 1.00 C ATOM 470 CD1 LEU A 458 45.796 4.620 -4.820 1.00 1.00 C ATOM 471 CD2 LEU A 458 47.693 3.979 -6.317 1.00 1.00 C ATOM 0 H LEU A 458 46.430 0.859 -4.297 1.00 1.00 H new ATOM 0 HA LEU A 458 48.881 1.918 -5.238 1.00 1.00 H new ATOM 0 HB2 LEU A 458 46.873 2.866 -3.146 1.00 1.00 H new ATOM 0 HB3 LEU A 458 48.230 3.838 -3.679 1.00 1.00 H new ATOM 0 HG LEU A 458 46.175 2.640 -5.590 1.00 1.00 H new ATOM 0 HD11 LEU A 458 45.226 4.937 -5.693 1.00 1.00 H new ATOM 0 HD12 LEU A 458 45.112 4.268 -4.048 1.00 1.00 H new ATOM 0 HD13 LEU A 458 46.372 5.463 -4.438 1.00 1.00 H new ATOM 0 HD21 LEU A 458 47.111 4.290 -7.184 1.00 1.00 H new ATOM 0 HD22 LEU A 458 48.275 4.824 -5.948 1.00 1.00 H new ATOM 0 HD23 LEU A 458 48.367 3.172 -6.603 1.00 1.00 H new ATOM 483 N ALA A 459 48.805 0.943 -2.083 1.00 1.00 N ATOM 484 CA ALA A 459 49.640 0.597 -0.938 1.00 1.00 C ATOM 485 C ALA A 459 50.558 -0.581 -1.259 1.00 1.00 C ATOM 486 O ALA A 459 51.699 -0.610 -0.795 1.00 1.00 O ATOM 487 CB ALA A 459 48.758 0.243 0.261 1.00 1.00 C ATOM 0 H ALA A 459 47.814 0.738 -1.958 1.00 1.00 H new ATOM 0 HA ALA A 459 50.259 1.462 -0.699 1.00 1.00 H new ATOM 0 HB1 ALA A 459 49.388 -0.014 1.113 1.00 1.00 H new ATOM 0 HB2 ALA A 459 48.132 1.098 0.518 1.00 1.00 H new ATOM 0 HB3 ALA A 459 48.124 -0.607 0.008 1.00 1.00 H new ATOM 493 N LEU A 460 50.085 -1.554 -2.030 1.00 1.00 N ATOM 494 CA LEU A 460 50.921 -2.703 -2.356 1.00 1.00 C ATOM 495 C LEU A 460 52.162 -2.238 -3.117 1.00 1.00 C ATOM 496 O LEU A 460 53.277 -2.685 -2.853 1.00 1.00 O ATOM 497 CB LEU A 460 50.104 -3.739 -3.167 1.00 1.00 C ATOM 498 CG LEU A 460 50.787 -4.119 -4.494 1.00 1.00 C ATOM 499 CD1 LEU A 460 52.112 -4.838 -4.220 1.00 1.00 C ATOM 500 CD2 LEU A 460 49.867 -5.069 -5.263 1.00 1.00 C ATOM 0 H LEU A 460 49.148 -1.572 -2.433 1.00 1.00 H new ATOM 0 HA LEU A 460 51.253 -3.190 -1.439 1.00 1.00 H new ATOM 0 HB2 LEU A 460 49.962 -4.637 -2.565 1.00 1.00 H new ATOM 0 HB3 LEU A 460 49.114 -3.334 -3.375 1.00 1.00 H new ATOM 0 HG LEU A 460 50.980 -3.214 -5.071 1.00 1.00 H new ATOM 0 HD11 LEU A 460 52.585 -5.102 -5.166 1.00 1.00 H new ATOM 0 HD12 LEU A 460 52.772 -4.181 -3.654 1.00 1.00 H new ATOM 0 HD13 LEU A 460 51.922 -5.744 -3.644 1.00 1.00 H new ATOM 0 HD21 LEU A 460 50.338 -5.347 -6.206 1.00 1.00 H new ATOM 0 HD22 LEU A 460 49.689 -5.965 -4.668 1.00 1.00 H new ATOM 0 HD23 LEU A 460 48.917 -4.573 -5.464 1.00 1.00 H new ATOM 512 N ARG A 461 51.943 -1.323 -4.057 1.00 1.00 N ATOM 513 CA ARG A 461 53.029 -0.773 -4.861 1.00 1.00 C ATOM 514 C ARG A 461 54.008 -0.028 -3.962 1.00 1.00 C ATOM 515 O ARG A 461 55.223 -0.149 -4.113 1.00 1.00 O ATOM 516 CB ARG A 461 52.447 0.164 -5.934 1.00 1.00 C ATOM 517 CG ARG A 461 53.549 0.692 -6.871 1.00 1.00 C ATOM 518 CD ARG A 461 54.096 2.042 -6.378 1.00 1.00 C ATOM 519 NE ARG A 461 55.049 2.573 -7.349 1.00 1.00 N ATOM 520 CZ ARG A 461 56.061 3.351 -6.972 1.00 1.00 C ATOM 521 NH1 ARG A 461 56.208 3.678 -5.716 1.00 1.00 N ATOM 522 NH2 ARG A 461 56.904 3.796 -7.863 1.00 1.00 N ATOM 0 H ARG A 461 51.022 -0.947 -4.281 1.00 1.00 H new ATOM 0 HA ARG A 461 53.567 -1.580 -5.358 1.00 1.00 H new ATOM 0 HB2 ARG A 461 51.695 -0.369 -6.517 1.00 1.00 H new ATOM 0 HB3 ARG A 461 51.943 1.002 -5.453 1.00 1.00 H new ATOM 0 HG2 ARG A 461 54.360 -0.034 -6.928 1.00 1.00 H new ATOM 0 HG3 ARG A 461 53.150 0.804 -7.879 1.00 1.00 H new ATOM 0 HD2 ARG A 461 53.277 2.747 -6.236 1.00 1.00 H new ATOM 0 HD3 ARG A 461 54.581 1.917 -5.410 1.00 1.00 H new ATOM 0 HE ARG A 461 54.937 2.343 -8.336 1.00 1.00 H new ATOM 0 HH11 ARG A 461 55.546 3.337 -5.019 1.00 1.00 H new ATOM 0 HH12 ARG A 461 56.985 4.274 -5.432 1.00 1.00 H new ATOM 0 HH21 ARG A 461 56.786 3.547 -8.845 1.00 1.00 H new ATOM 0 HH22 ARG A 461 57.681 4.392 -7.577 1.00 1.00 H new ATOM 536 N PHE A 462 53.463 0.742 -3.025 1.00 1.00 N ATOM 537 CA PHE A 462 54.285 1.510 -2.097 1.00 1.00 C ATOM 538 C PHE A 462 55.164 0.574 -1.283 1.00 1.00 C ATOM 539 O PHE A 462 56.363 0.805 -1.133 1.00 1.00 O ATOM 540 CB PHE A 462 53.394 2.325 -1.159 1.00 1.00 C ATOM 541 CG PHE A 462 54.255 3.124 -0.210 1.00 1.00 C ATOM 542 CD1 PHE A 462 54.937 4.257 -0.669 1.00 1.00 C ATOM 543 CD2 PHE A 462 54.372 2.731 1.129 1.00 1.00 C ATOM 544 CE1 PHE A 462 55.736 4.997 0.210 1.00 1.00 C ATOM 545 CE2 PHE A 462 55.170 3.473 2.008 1.00 1.00 C ATOM 546 CZ PHE A 462 55.853 4.605 1.549 1.00 1.00 C ATOM 0 H PHE A 462 52.458 0.850 -2.889 1.00 1.00 H new ATOM 0 HA PHE A 462 54.918 2.189 -2.668 1.00 1.00 H new ATOM 0 HB2 PHE A 462 52.755 2.993 -1.737 1.00 1.00 H new ATOM 0 HB3 PHE A 462 52.736 1.661 -0.598 1.00 1.00 H new ATOM 0 HD1 PHE A 462 54.847 4.560 -1.702 1.00 1.00 H new ATOM 0 HD2 PHE A 462 53.847 1.856 1.483 1.00 1.00 H new ATOM 0 HE1 PHE A 462 56.263 5.871 -0.145 1.00 1.00 H new ATOM 0 HE2 PHE A 462 55.259 3.172 3.041 1.00 1.00 H new ATOM 0 HZ PHE A 462 56.470 5.176 2.227 1.00 1.00 H new ATOM 556 N CYS A 463 54.567 -0.494 -0.774 1.00 1.00 N ATOM 557 CA CYS A 463 55.285 -1.486 0.007 1.00 1.00 C ATOM 558 C CYS A 463 56.178 -2.323 -0.901 1.00 1.00 C ATOM 559 O CYS A 463 57.209 -2.842 -0.467 1.00 1.00 O ATOM 560 CB CYS A 463 54.292 -2.398 0.730 1.00 1.00 C ATOM 561 SG CYS A 463 53.316 -1.420 1.900 1.00 1.00 S ATOM 0 H CYS A 463 53.574 -0.695 -0.891 1.00 1.00 H new ATOM 0 HA CYS A 463 55.905 -0.972 0.742 1.00 1.00 H new ATOM 0 HB2 CYS A 463 53.635 -2.883 0.008 1.00 1.00 H new ATOM 0 HB3 CYS A 463 54.825 -3.189 1.257 1.00 1.00 H new ATOM 0 HG CYS A 463 52.379 -0.786 1.260 1.00 1.00 H new ATOM 567 N GLY A 464 55.784 -2.441 -2.166 1.00 1.00 N ATOM 568 CA GLY A 464 56.567 -3.215 -3.124 1.00 1.00 C ATOM 569 C GLY A 464 57.936 -2.581 -3.367 1.00 1.00 C ATOM 570 O GLY A 464 58.943 -3.279 -3.479 1.00 1.00 O ATOM 0 H GLY A 464 54.939 -2.017 -2.548 1.00 1.00 H new ATOM 0 HA2 GLY A 464 56.696 -4.232 -2.753 1.00 1.00 H new ATOM 0 HA3 GLY A 464 56.025 -3.286 -4.067 1.00 1.00 H new ATOM 574 N ILE A 465 57.959 -1.255 -3.457 1.00 1.00 N ATOM 575 CA ILE A 465 59.201 -0.525 -3.698 1.00 1.00 C ATOM 576 C ILE A 465 59.897 -0.175 -2.382 1.00 1.00 C ATOM 577 O ILE A 465 60.984 0.401 -2.380 1.00 1.00 O ATOM 578 CB ILE A 465 58.899 0.747 -4.507 1.00 1.00 C ATOM 579 CG1 ILE A 465 60.207 1.418 -4.943 1.00 1.00 C ATOM 580 CG2 ILE A 465 58.088 1.726 -3.655 1.00 1.00 C ATOM 581 CD1 ILE A 465 59.908 2.459 -6.023 1.00 1.00 C ATOM 0 H ILE A 465 57.133 -0.663 -3.367 1.00 1.00 H new ATOM 0 HA ILE A 465 59.877 -1.161 -4.269 1.00 1.00 H new ATOM 0 HB ILE A 465 58.324 0.470 -5.391 1.00 1.00 H new ATOM 0 HG12 ILE A 465 60.688 1.893 -4.088 1.00 1.00 H new ATOM 0 HG13 ILE A 465 60.902 0.671 -5.325 1.00 1.00 H new ATOM 0 HG21 ILE A 465 57.878 2.625 -4.235 1.00 1.00 H new ATOM 0 HG22 ILE A 465 57.150 1.258 -3.357 1.00 1.00 H new ATOM 0 HG23 ILE A 465 58.658 1.993 -2.765 1.00 1.00 H new ATOM 0 HD11 ILE A 465 60.837 2.937 -6.334 1.00 1.00 H new ATOM 0 HD12 ILE A 465 59.446 1.971 -6.881 1.00 1.00 H new ATOM 0 HD13 ILE A 465 59.228 3.212 -5.624 1.00 1.00 H new ATOM 593 N TYR A 466 59.278 -0.547 -1.264 1.00 1.00 N ATOM 594 CA TYR A 466 59.869 -0.279 0.047 1.00 1.00 C ATOM 595 C TYR A 466 60.467 -1.553 0.637 1.00 1.00 C ATOM 596 O TYR A 466 61.186 -1.506 1.634 1.00 1.00 O ATOM 597 CB TYR A 466 58.815 0.276 1.003 1.00 1.00 C ATOM 598 CG TYR A 466 59.476 0.675 2.301 1.00 1.00 C ATOM 599 CD1 TYR A 466 60.184 1.879 2.385 1.00 1.00 C ATOM 600 CD2 TYR A 466 59.379 -0.160 3.421 1.00 1.00 C ATOM 601 CE1 TYR A 466 60.796 2.249 3.589 1.00 1.00 C ATOM 602 CE2 TYR A 466 59.991 0.209 4.625 1.00 1.00 C ATOM 603 CZ TYR A 466 60.699 1.414 4.709 1.00 1.00 C ATOM 604 OH TYR A 466 61.302 1.778 5.895 1.00 1.00 O ATOM 0 H TYR A 466 58.379 -1.029 -1.237 1.00 1.00 H new ATOM 0 HA TYR A 466 60.660 0.459 -0.084 1.00 1.00 H new ATOM 0 HB2 TYR A 466 58.319 1.137 0.555 1.00 1.00 H new ATOM 0 HB3 TYR A 466 58.046 -0.474 1.189 1.00 1.00 H new ATOM 0 HD1 TYR A 466 60.258 2.523 1.521 1.00 1.00 H new ATOM 0 HD2 TYR A 466 58.832 -1.089 3.356 1.00 1.00 H new ATOM 0 HE1 TYR A 466 61.343 3.178 3.654 1.00 1.00 H new ATOM 0 HE2 TYR A 466 59.917 -0.435 5.488 1.00 1.00 H new ATOM 0 HH TYR A 466 61.137 1.088 6.571 1.00 1.00 H new ATOM 614 N GLY A 467 60.162 -2.691 0.016 1.00 1.00 N ATOM 615 CA GLY A 467 60.679 -3.968 0.496 1.00 1.00 C ATOM 616 C GLY A 467 59.879 -4.463 1.698 1.00 1.00 C ATOM 617 O GLY A 467 60.358 -5.290 2.474 1.00 1.00 O ATOM 0 H GLY A 467 59.567 -2.754 -0.810 1.00 1.00 H new ATOM 0 HA2 GLY A 467 60.635 -4.707 -0.304 1.00 1.00 H new ATOM 0 HA3 GLY A 467 61.728 -3.860 0.772 1.00 1.00 H new ATOM 621 N TYR A 468 58.663 -3.950 1.847 1.00 1.00 N ATOM 622 CA TYR A 468 57.811 -4.346 2.964 1.00 1.00 C ATOM 623 C TYR A 468 58.571 -4.236 4.282 1.00 1.00 C ATOM 624 O TYR A 468 58.777 -3.138 4.801 1.00 1.00 O ATOM 625 CB TYR A 468 57.332 -5.788 2.773 1.00 1.00 C ATOM 626 CG TYR A 468 56.473 -5.879 1.535 1.00 1.00 C ATOM 627 CD1 TYR A 468 57.066 -6.107 0.287 1.00 1.00 C ATOM 628 CD2 TYR A 468 55.084 -5.739 1.636 1.00 1.00 C ATOM 629 CE1 TYR A 468 56.269 -6.195 -0.859 1.00 1.00 C ATOM 630 CE2 TYR A 468 54.288 -5.827 0.488 1.00 1.00 C ATOM 631 CZ TYR A 468 54.879 -6.056 -0.760 1.00 1.00 C ATOM 632 OH TYR A 468 54.094 -6.142 -1.891 1.00 1.00 O ATOM 0 H TYR A 468 58.247 -3.265 1.215 1.00 1.00 H new ATOM 0 HA TYR A 468 56.951 -3.677 2.993 1.00 1.00 H new ATOM 0 HB2 TYR A 468 58.188 -6.457 2.683 1.00 1.00 H new ATOM 0 HB3 TYR A 468 56.765 -6.112 3.646 1.00 1.00 H new ATOM 0 HD1 TYR A 468 58.138 -6.215 0.210 1.00 1.00 H new ATOM 0 HD2 TYR A 468 54.627 -5.563 2.599 1.00 1.00 H new ATOM 0 HE1 TYR A 468 56.726 -6.370 -1.822 1.00 1.00 H new ATOM 0 HE2 TYR A 468 53.216 -5.718 0.565 1.00 1.00 H new ATOM 0 HH TYR A 468 53.153 -6.024 -1.646 1.00 1.00 H new ATOM 642 N ARG A 469 58.986 -5.379 4.818 1.00 1.00 N ATOM 643 CA ARG A 469 59.723 -5.398 6.077 1.00 1.00 C ATOM 644 C ARG A 469 61.208 -5.149 5.833 1.00 1.00 C ATOM 645 O ARG A 469 61.777 -5.637 4.855 1.00 1.00 O ATOM 646 CB ARG A 469 59.536 -6.747 6.772 1.00 1.00 C ATOM 647 CG ARG A 469 58.064 -6.932 7.144 1.00 1.00 C ATOM 648 CD ARG A 469 57.862 -8.321 7.753 1.00 1.00 C ATOM 649 NE ARG A 469 58.601 -8.435 9.005 1.00 1.00 N ATOM 650 CZ ARG A 469 58.064 -8.053 10.160 1.00 1.00 C ATOM 651 NH1 ARG A 469 56.859 -7.552 10.190 1.00 1.00 N ATOM 652 NH2 ARG A 469 58.747 -8.174 11.266 1.00 1.00 N ATOM 0 H ARG A 469 58.826 -6.298 4.404 1.00 1.00 H new ATOM 0 HA ARG A 469 59.334 -4.605 6.716 1.00 1.00 H new ATOM 0 HB2 ARG A 469 59.860 -7.554 6.115 1.00 1.00 H new ATOM 0 HB3 ARG A 469 60.157 -6.796 7.667 1.00 1.00 H new ATOM 0 HG2 ARG A 469 57.758 -6.164 7.854 1.00 1.00 H new ATOM 0 HG3 ARG A 469 57.437 -6.816 6.260 1.00 1.00 H new ATOM 0 HD2 ARG A 469 56.801 -8.497 7.931 1.00 1.00 H new ATOM 0 HD3 ARG A 469 58.199 -9.085 7.053 1.00 1.00 H new ATOM 0 HE ARG A 469 59.548 -8.815 8.995 1.00 1.00 H new ATOM 0 HH11 ARG A 469 56.326 -7.453 9.326 1.00 1.00 H new ATOM 0 HH12 ARG A 469 56.450 -7.260 11.078 1.00 1.00 H new ATOM 0 HH21 ARG A 469 59.691 -8.561 11.243 1.00 1.00 H new ATOM 0 HH22 ARG A 469 58.337 -7.882 12.153 1.00 1.00 H new ATOM 666 N LEU A 470 61.830 -4.390 6.729 1.00 1.00 N ATOM 667 CA LEU A 470 63.251 -4.083 6.602 1.00 1.00 C ATOM 668 C LEU A 470 64.084 -5.358 6.692 1.00 1.00 C ATOM 669 O LEU A 470 65.042 -5.540 5.941 1.00 1.00 O ATOM 670 CB LEU A 470 63.677 -3.113 7.707 1.00 1.00 C ATOM 671 CG LEU A 470 63.043 -1.738 7.462 1.00 1.00 C ATOM 672 CD1 LEU A 470 63.289 -0.842 8.675 1.00 1.00 C ATOM 673 CD2 LEU A 470 63.652 -1.084 6.212 1.00 1.00 C ATOM 0 H LEU A 470 61.377 -3.979 7.545 1.00 1.00 H new ATOM 0 HA LEU A 470 63.419 -3.621 5.629 1.00 1.00 H new ATOM 0 HB2 LEU A 470 63.370 -3.497 8.680 1.00 1.00 H new ATOM 0 HB3 LEU A 470 64.763 -3.025 7.728 1.00 1.00 H new ATOM 0 HG LEU A 470 61.972 -1.866 7.307 1.00 1.00 H new ATOM 0 HD11 LEU A 470 62.839 0.136 8.502 1.00 1.00 H new ATOM 0 HD12 LEU A 470 62.842 -1.296 9.559 1.00 1.00 H new ATOM 0 HD13 LEU A 470 64.362 -0.725 8.830 1.00 1.00 H new ATOM 0 HD21 LEU A 470 63.192 -0.109 6.051 1.00 1.00 H new ATOM 0 HD22 LEU A 470 64.726 -0.960 6.353 1.00 1.00 H new ATOM 0 HD23 LEU A 470 63.471 -1.718 5.344 1.00 1.00 H new ATOM 685 N ARG A 471 63.714 -6.236 7.619 1.00 1.00 N ATOM 686 CA ARG A 471 64.436 -7.490 7.801 1.00 1.00 C ATOM 687 C ARG A 471 64.239 -8.401 6.594 1.00 1.00 C ATOM 688 O ARG A 471 63.122 -8.567 6.104 1.00 1.00 O ATOM 689 CB ARG A 471 63.942 -8.196 9.068 1.00 1.00 C ATOM 690 CG ARG A 471 64.763 -9.467 9.306 1.00 1.00 C ATOM 691 CD ARG A 471 64.296 -10.140 10.598 1.00 1.00 C ATOM 692 NE ARG A 471 62.920 -10.604 10.456 1.00 1.00 N ATOM 693 CZ ARG A 471 62.267 -11.142 11.482 1.00 1.00 C ATOM 694 NH1 ARG A 471 62.857 -11.261 12.640 1.00 1.00 N ATOM 695 NH2 ARG A 471 61.037 -11.550 11.330 1.00 1.00 N ATOM 0 H ARG A 471 62.925 -6.104 8.251 1.00 1.00 H new ATOM 0 HA ARG A 471 65.498 -7.267 7.901 1.00 1.00 H new ATOM 0 HB2 ARG A 471 64.031 -7.529 9.925 1.00 1.00 H new ATOM 0 HB3 ARG A 471 62.886 -8.447 8.967 1.00 1.00 H new ATOM 0 HG2 ARG A 471 64.647 -10.150 8.465 1.00 1.00 H new ATOM 0 HG3 ARG A 471 65.823 -9.221 9.374 1.00 1.00 H new ATOM 0 HD2 ARG A 471 64.948 -10.981 10.835 1.00 1.00 H new ATOM 0 HD3 ARG A 471 64.367 -9.438 11.429 1.00 1.00 H new ATOM 0 HE ARG A 471 62.451 -10.514 9.555 1.00 1.00 H new ATOM 0 HH11 ARG A 471 63.818 -10.941 12.758 1.00 1.00 H new ATOM 0 HH12 ARG A 471 62.357 -11.674 13.427 1.00 1.00 H new ATOM 0 HH21 ARG A 471 60.577 -11.456 10.425 1.00 1.00 H new ATOM 0 HH22 ARG A 471 60.536 -11.963 12.117 1.00 1.00 H new ATOM 709 N ARG A 472 65.333 -8.988 6.119 1.00 1.00 N ATOM 710 CA ARG A 472 65.272 -9.882 4.968 1.00 1.00 C ATOM 711 C ARG A 472 64.686 -11.232 5.367 1.00 1.00 C ATOM 712 O ARG A 472 64.917 -11.715 6.476 1.00 1.00 O ATOM 713 CB ARG A 472 66.672 -10.083 4.387 1.00 1.00 C ATOM 714 CG ARG A 472 67.160 -8.774 3.762 1.00 1.00 C ATOM 715 CD ARG A 472 68.573 -8.967 3.209 1.00 1.00 C ATOM 716 NE ARG A 472 69.064 -7.721 2.631 1.00 1.00 N ATOM 717 CZ ARG A 472 68.820 -7.405 1.362 1.00 1.00 C ATOM 718 NH1 ARG A 472 68.119 -8.210 0.610 1.00 1.00 N ATOM 719 NH2 ARG A 472 69.280 -6.289 0.869 1.00 1.00 N ATOM 0 H ARG A 472 66.267 -8.862 6.510 1.00 1.00 H new ATOM 0 HA ARG A 472 64.628 -9.428 4.215 1.00 1.00 H new ATOM 0 HB2 ARG A 472 67.360 -10.403 5.170 1.00 1.00 H new ATOM 0 HB3 ARG A 472 66.655 -10.873 3.636 1.00 1.00 H new ATOM 0 HG2 ARG A 472 66.485 -8.466 2.964 1.00 1.00 H new ATOM 0 HG3 ARG A 472 67.155 -7.979 4.508 1.00 1.00 H new ATOM 0 HD2 ARG A 472 69.241 -9.295 4.005 1.00 1.00 H new ATOM 0 HD3 ARG A 472 68.571 -9.751 2.452 1.00 1.00 H new ATOM 0 HE ARG A 472 69.605 -7.080 3.211 1.00 1.00 H new ATOM 0 HH11 ARG A 472 67.758 -9.083 0.995 1.00 1.00 H new ATOM 0 HH12 ARG A 472 67.933 -7.966 -0.363 1.00 1.00 H new ATOM 0 HH21 ARG A 472 69.827 -5.659 1.456 1.00 1.00 H new ATOM 0 HH22 ARG A 472 69.093 -6.046 -0.104 1.00 1.00 H new ATOM 733 N LYS A 473 63.928 -11.835 4.456 1.00 1.00 N ATOM 734 CA LYS A 473 63.312 -13.131 4.721 1.00 1.00 C ATOM 735 C LYS A 473 63.529 -14.076 3.542 1.00 1.00 C ATOM 736 O LYS A 473 64.447 -14.876 3.611 1.00 1.00 O ATOM 737 CB LYS A 473 61.812 -12.956 4.969 1.00 1.00 C ATOM 738 CG LYS A 473 61.195 -14.301 5.363 1.00 1.00 C ATOM 739 CD LYS A 473 59.707 -14.110 5.663 1.00 1.00 C ATOM 740 CE LYS A 473 59.094 -15.451 6.073 1.00 1.00 C ATOM 741 NZ LYS A 473 57.649 -15.262 6.383 1.00 1.00 N ATOM 742 OXT LYS A 473 62.774 -13.983 2.589 1.00 1.00 O ATOM 0 H LYS A 473 63.726 -11.450 3.533 1.00 1.00 H new ATOM 0 HA LYS A 473 63.778 -13.560 5.608 1.00 1.00 H new ATOM 0 HB2 LYS A 473 61.647 -12.224 5.759 1.00 1.00 H new ATOM 0 HB3 LYS A 473 61.327 -12.571 4.072 1.00 1.00 H new ATOM 0 HG2 LYS A 473 61.325 -15.023 4.557 1.00 1.00 H new ATOM 0 HG3 LYS A 473 61.705 -14.705 6.238 1.00 1.00 H new ATOM 0 HD2 LYS A 473 59.577 -13.379 6.461 1.00 1.00 H new ATOM 0 HD3 LYS A 473 59.195 -13.717 4.784 1.00 1.00 H new ATOM 0 HE2 LYS A 473 59.213 -16.178 5.270 1.00 1.00 H new ATOM 0 HE3 LYS A 473 59.615 -15.850 6.944 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 57.232 -16.173 6.662 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 57.547 -14.582 7.163 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 57.158 -14.899 5.541 1.00 1.00 H new TER 756 LYS A 473