USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 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+ -164:sc= -0.0226 (180deg=-0.311) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl -157:sc= -0.0979 (180deg=-0.74) USER MOD Single : A 453 THR OG1 : rot -11:sc= -0.0447 USER MOD Single : A 463 CYS SG : rot 79:sc= 0.347 USER MOD Single : A 466 TYR OH : rot 180:sc= 0 USER MOD Single : A 468 TYR OH : rot -75:sc= -0.104 USER MOD Single : A 473 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 6.949 20.725 -1.119 1.00 1.00 N ATOM 2 CA GLY A 430 7.261 21.422 0.162 1.00 1.00 C ATOM 3 C GLY A 430 8.724 21.192 0.525 1.00 1.00 C ATOM 4 O GLY A 430 9.037 20.365 1.381 1.00 1.00 O ATOM 0 HA2 GLY A 430 7.063 22.489 0.065 1.00 1.00 H new ATOM 0 HA3 GLY A 430 6.615 21.049 0.957 1.00 1.00 H new ATOM 10 N LYS A 431 9.614 21.929 -0.135 1.00 1.00 N ATOM 11 CA LYS A 431 11.046 21.802 0.120 1.00 1.00 C ATOM 12 C LYS A 431 11.656 23.165 0.429 1.00 1.00 C ATOM 13 O LYS A 431 11.241 24.181 -0.131 1.00 1.00 O ATOM 14 CB LYS A 431 11.742 21.196 -1.101 1.00 1.00 C ATOM 15 CG LYS A 431 11.270 19.755 -1.297 1.00 1.00 C ATOM 16 CD LYS A 431 11.943 19.160 -2.535 1.00 1.00 C ATOM 17 CE LYS A 431 11.420 17.742 -2.770 1.00 1.00 C ATOM 18 NZ LYS A 431 11.863 16.858 -1.656 1.00 1.00 N ATOM 0 H LYS A 431 9.370 22.617 -0.847 1.00 1.00 H new ATOM 0 HA LYS A 431 11.187 21.148 0.981 1.00 1.00 H new ATOM 0 HB2 LYS A 431 11.519 21.786 -1.990 1.00 1.00 H new ATOM 0 HB3 LYS A 431 12.823 21.220 -0.965 1.00 1.00 H new ATOM 0 HG2 LYS A 431 11.512 19.159 -0.417 1.00 1.00 H new ATOM 0 HG3 LYS A 431 10.186 19.729 -1.411 1.00 1.00 H new ATOM 0 HD2 LYS A 431 11.740 19.783 -3.406 1.00 1.00 H new ATOM 0 HD3 LYS A 431 13.025 19.142 -2.401 1.00 1.00 H new ATOM 0 HE2 LYS A 431 10.332 17.750 -2.831 1.00 1.00 H new ATOM 0 HE3 LYS A 431 11.790 17.359 -3.721 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 11.750 15.863 -1.937 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 12.863 17.046 -1.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 11.286 17.047 -0.812 1.00 1.00 H new ATOM 32 N ARG A 432 12.642 23.177 1.323 1.00 1.00 N ATOM 33 CA ARG A 432 13.307 24.420 1.703 1.00 1.00 C ATOM 34 C ARG A 432 14.820 24.275 1.588 1.00 1.00 C ATOM 35 O ARG A 432 15.373 23.206 1.849 1.00 1.00 O ATOM 36 CB ARG A 432 12.936 24.793 3.140 1.00 1.00 C ATOM 37 CG ARG A 432 11.439 25.097 3.218 1.00 1.00 C ATOM 38 CD ARG A 432 11.048 25.377 4.671 1.00 1.00 C ATOM 39 NE ARG A 432 11.723 26.577 5.153 1.00 1.00 N ATOM 40 CZ ARG A 432 11.195 27.784 4.974 1.00 1.00 C ATOM 41 NH1 ARG A 432 10.057 27.916 4.346 1.00 1.00 N ATOM 42 NH2 ARG A 432 11.816 28.841 5.423 1.00 1.00 N ATOM 0 H ARG A 432 12.996 22.345 1.795 1.00 1.00 H new ATOM 0 HA ARG A 432 12.977 25.208 1.026 1.00 1.00 H new ATOM 0 HB2 ARG A 432 13.188 23.975 3.816 1.00 1.00 H new ATOM 0 HB3 ARG A 432 13.511 25.661 3.462 1.00 1.00 H new ATOM 0 HG2 ARG A 432 11.199 25.958 2.594 1.00 1.00 H new ATOM 0 HG3 ARG A 432 10.866 24.254 2.832 1.00 1.00 H new ATOM 0 HD2 ARG A 432 9.968 25.503 4.747 1.00 1.00 H new ATOM 0 HD3 ARG A 432 11.314 24.525 5.297 1.00 1.00 H new ATOM 0 HE ARG A 432 12.617 26.488 5.636 1.00 1.00 H new ATOM 0 HH11 ARG A 432 9.571 27.092 3.992 1.00 1.00 H new ATOM 0 HH12 ARG A 432 9.654 28.843 4.210 1.00 1.00 H new ATOM 0 HH21 ARG A 432 12.706 28.741 5.911 1.00 1.00 H new ATOM 0 HH22 ARG A 432 11.411 29.767 5.286 1.00 1.00 H new ATOM 56 N SER A 433 15.485 25.357 1.196 1.00 1.00 N ATOM 57 CA SER A 433 16.936 25.340 1.050 1.00 1.00 C ATOM 58 C SER A 433 17.614 25.407 2.416 1.00 1.00 C ATOM 59 O SER A 433 16.991 25.779 3.410 1.00 1.00 O ATOM 60 CB SER A 433 17.387 26.526 0.197 1.00 1.00 C ATOM 61 OG SER A 433 17.493 27.682 1.017 1.00 1.00 O ATOM 0 H SER A 433 15.046 26.251 0.975 1.00 1.00 H new ATOM 0 HA SER A 433 17.222 24.409 0.561 1.00 1.00 H new ATOM 0 HB2 SER A 433 18.348 26.308 -0.270 1.00 1.00 H new ATOM 0 HB3 SER A 433 16.674 26.702 -0.608 1.00 1.00 H new ATOM 0 HG SER A 433 17.784 28.444 0.473 1.00 1.00 H new ATOM 67 N TRP A 434 18.895 25.045 2.452 1.00 1.00 N ATOM 68 CA TRP A 434 19.655 25.067 3.698 1.00 1.00 C ATOM 69 C TRP A 434 20.664 26.210 3.684 1.00 1.00 C ATOM 70 O TRP A 434 21.252 26.517 2.646 1.00 1.00 O ATOM 71 CB TRP A 434 20.388 23.739 3.886 1.00 1.00 C ATOM 72 CG TRP A 434 19.390 22.645 4.090 1.00 1.00 C ATOM 73 CD1 TRP A 434 19.040 21.729 3.159 1.00 1.00 C ATOM 74 CD2 TRP A 434 18.610 22.338 5.281 1.00 1.00 C ATOM 75 NE1 TRP A 434 18.094 20.878 3.703 1.00 1.00 N ATOM 76 CE2 TRP A 434 17.796 21.212 5.010 1.00 1.00 C ATOM 77 CE3 TRP A 434 18.531 22.920 6.559 1.00 1.00 C ATOM 78 CZ2 TRP A 434 16.934 20.683 5.970 1.00 1.00 C ATOM 79 CZ3 TRP A 434 17.664 22.390 7.530 1.00 1.00 C ATOM 80 CH2 TRP A 434 16.867 21.273 7.235 1.00 1.00 C ATOM 0 H TRP A 434 19.425 24.735 1.638 1.00 1.00 H new ATOM 0 HA TRP A 434 18.961 25.217 4.525 1.00 1.00 H new ATOM 0 HB2 TRP A 434 21.005 23.525 3.013 1.00 1.00 H new ATOM 0 HB3 TRP A 434 21.058 23.799 4.743 1.00 1.00 H new ATOM 0 HD1 TRP A 434 19.434 21.671 2.155 1.00 1.00 H new ATOM 0 HE1 TRP A 434 17.669 20.099 3.200 1.00 1.00 H new ATOM 0 HE3 TRP A 434 19.140 23.780 6.796 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 16.323 19.824 5.738 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 17.611 22.845 8.508 1.00 1.00 H new ATOM 0 HH2 TRP A 434 16.203 20.870 7.985 1.00 1.00 H new ATOM 91 N ASP A 435 20.856 26.840 4.837 1.00 1.00 N ATOM 92 CA ASP A 435 21.792 27.953 4.940 1.00 1.00 C ATOM 93 C ASP A 435 23.214 27.497 4.623 1.00 1.00 C ATOM 94 O ASP A 435 23.952 28.190 3.922 1.00 1.00 O ATOM 95 CB ASP A 435 21.750 28.542 6.352 1.00 1.00 C ATOM 96 CG ASP A 435 20.451 29.311 6.561 1.00 1.00 C ATOM 97 OD1 ASP A 435 19.785 29.595 5.578 1.00 1.00 O ATOM 98 OD2 ASP A 435 20.138 29.607 7.703 1.00 1.00 O ATOM 0 H ASP A 435 20.380 26.602 5.707 1.00 1.00 H new ATOM 0 HA ASP A 435 21.498 28.713 4.217 1.00 1.00 H new ATOM 0 HB2 ASP A 435 21.832 27.744 7.090 1.00 1.00 H new ATOM 0 HB3 ASP A 435 22.602 29.205 6.503 1.00 1.00 H new ATOM 103 N THR A 436 23.589 26.331 5.144 1.00 1.00 N ATOM 104 CA THR A 436 24.926 25.791 4.910 1.00 1.00 C ATOM 105 C THR A 436 24.848 24.396 4.296 1.00 1.00 C ATOM 106 O THR A 436 24.174 23.512 4.822 1.00 1.00 O ATOM 107 CB THR A 436 25.696 25.723 6.231 1.00 1.00 C ATOM 108 OG1 THR A 436 25.804 27.030 6.781 1.00 1.00 O ATOM 109 CG2 THR A 436 27.094 25.156 5.982 1.00 1.00 C ATOM 0 H THR A 436 22.991 25.746 5.727 1.00 1.00 H new ATOM 0 HA THR A 436 25.445 26.451 4.214 1.00 1.00 H new ATOM 0 HB THR A 436 25.164 25.076 6.929 1.00 1.00 H new ATOM 0 HG1 THR A 436 26.295 26.989 7.628 1.00 1.00 H new ATOM 0 HG21 THR A 436 27.640 25.109 6.924 1.00 1.00 H new ATOM 0 HG22 THR A 436 27.011 24.154 5.560 1.00 1.00 H new ATOM 0 HG23 THR A 436 27.629 25.800 5.284 1.00 1.00 H new ATOM 117 N GLU A 437 25.551 24.207 3.184 1.00 1.00 N ATOM 118 CA GLU A 437 25.565 22.913 2.508 1.00 1.00 C ATOM 119 C GLU A 437 26.982 22.569 2.063 1.00 1.00 C ATOM 120 O GLU A 437 27.340 21.397 1.943 1.00 1.00 O ATOM 121 CB GLU A 437 24.633 22.949 1.293 1.00 1.00 C ATOM 122 CG GLU A 437 24.590 21.568 0.635 1.00 1.00 C ATOM 123 CD GLU A 437 23.623 21.585 -0.545 1.00 1.00 C ATOM 124 OE1 GLU A 437 23.221 22.667 -0.940 1.00 1.00 O ATOM 125 OE2 GLU A 437 23.299 20.516 -1.035 1.00 1.00 O ATOM 0 H GLU A 437 26.115 24.928 2.734 1.00 1.00 H new ATOM 0 HA GLU A 437 25.217 22.149 3.203 1.00 1.00 H new ATOM 0 HB2 GLU A 437 23.631 23.248 1.600 1.00 1.00 H new ATOM 0 HB3 GLU A 437 24.982 23.693 0.577 1.00 1.00 H new ATOM 0 HG2 GLU A 437 25.587 21.286 0.296 1.00 1.00 H new ATOM 0 HG3 GLU A 437 24.277 20.819 1.362 1.00 1.00 H new ATOM 132 N SER A 438 27.781 23.602 1.819 1.00 1.00 N ATOM 133 CA SER A 438 29.159 23.413 1.383 1.00 1.00 C ATOM 134 C SER A 438 29.963 22.644 2.428 1.00 1.00 C ATOM 135 O SER A 438 30.776 21.784 2.089 1.00 1.00 O ATOM 136 CB SER A 438 29.819 24.769 1.132 1.00 1.00 C ATOM 137 OG SER A 438 29.096 25.463 0.122 1.00 1.00 O ATOM 0 H SER A 438 27.498 24.577 1.916 1.00 1.00 H new ATOM 0 HA SER A 438 29.144 22.835 0.459 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.835 25.354 2.051 1.00 1.00 H new ATOM 0 HB3 SER A 438 30.855 24.631 0.824 1.00 1.00 H new ATOM 0 HG SER A 438 29.515 26.334 -0.041 1.00 1.00 H new ATOM 143 N VAL A 439 29.741 22.971 3.696 1.00 1.00 N ATOM 144 CA VAL A 439 30.463 22.316 4.783 1.00 1.00 C ATOM 145 C VAL A 439 30.161 20.822 4.819 1.00 1.00 C ATOM 146 O VAL A 439 31.074 20.010 4.962 1.00 1.00 O ATOM 147 CB VAL A 439 30.076 22.946 6.122 1.00 1.00 C ATOM 148 CG1 VAL A 439 30.671 22.124 7.266 1.00 1.00 C ATOM 149 CG2 VAL A 439 30.616 24.375 6.186 1.00 1.00 C ATOM 0 H VAL A 439 29.072 23.680 3.996 1.00 1.00 H new ATOM 0 HA VAL A 439 31.530 22.451 4.609 1.00 1.00 H new ATOM 0 HB VAL A 439 28.990 22.962 6.215 1.00 1.00 H new ATOM 0 HG11 VAL A 439 30.395 22.574 8.219 1.00 1.00 H new ATOM 0 HG12 VAL A 439 30.286 21.105 7.220 1.00 1.00 H new ATOM 0 HG13 VAL A 439 31.757 22.106 7.175 1.00 1.00 H new ATOM 0 HG21 VAL A 439 30.341 24.825 7.140 1.00 1.00 H new ATOM 0 HG22 VAL A 439 31.702 24.358 6.092 1.00 1.00 H new ATOM 0 HG23 VAL A 439 30.191 24.962 5.372 1.00 1.00 H new ATOM 159 N LEU A 440 28.876 20.475 4.693 1.00 1.00 N ATOM 160 CA LEU A 440 28.437 19.075 4.715 1.00 1.00 C ATOM 161 C LEU A 440 29.536 18.137 4.193 1.00 1.00 C ATOM 162 O LEU A 440 29.659 17.932 2.985 1.00 1.00 O ATOM 163 CB LEU A 440 27.183 18.920 3.846 1.00 1.00 C ATOM 164 CG LEU A 440 26.335 17.758 4.370 1.00 1.00 C ATOM 165 CD1 LEU A 440 25.411 18.257 5.482 1.00 1.00 C ATOM 166 CD2 LEU A 440 25.488 17.190 3.227 1.00 1.00 C ATOM 0 H LEU A 440 28.118 21.147 4.574 1.00 1.00 H new ATOM 0 HA LEU A 440 28.216 18.803 5.747 1.00 1.00 H new ATOM 0 HB2 LEU A 440 26.602 19.842 3.860 1.00 1.00 H new ATOM 0 HB3 LEU A 440 27.467 18.738 2.810 1.00 1.00 H new ATOM 0 HG LEU A 440 26.991 16.981 4.763 1.00 1.00 H new ATOM 0 HD11 LEU A 440 24.808 17.428 5.854 1.00 1.00 H new ATOM 0 HD12 LEU A 440 26.009 18.664 6.297 1.00 1.00 H new ATOM 0 HD13 LEU A 440 24.756 19.035 5.089 1.00 1.00 H new ATOM 0 HD21 LEU A 440 24.884 16.362 3.598 1.00 1.00 H new ATOM 0 HD22 LEU A 440 24.834 17.970 2.836 1.00 1.00 H new ATOM 0 HD23 LEU A 440 26.142 16.833 2.432 1.00 1.00 H new ATOM 178 N PRO A 441 30.347 17.580 5.066 1.00 1.00 N ATOM 179 CA PRO A 441 31.460 16.671 4.666 1.00 1.00 C ATOM 180 C PRO A 441 31.013 15.226 4.469 1.00 1.00 C ATOM 181 O PRO A 441 31.819 14.359 4.141 1.00 1.00 O ATOM 182 CB PRO A 441 32.432 16.782 5.832 1.00 1.00 C ATOM 183 CG PRO A 441 31.585 17.070 7.031 1.00 1.00 C ATOM 184 CD PRO A 441 30.303 17.748 6.532 1.00 1.00 C ATOM 0 HA PRO A 441 31.886 16.953 3.703 1.00 1.00 H new ATOM 0 HB2 PRO A 441 32.996 15.858 5.962 1.00 1.00 H new ATOM 0 HB3 PRO A 441 33.158 17.578 5.664 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.350 16.150 7.565 1.00 1.00 H new ATOM 0 HG3 PRO A 441 32.115 17.717 7.729 1.00 1.00 H new ATOM 0 HD2 PRO A 441 29.415 17.282 6.959 1.00 1.00 H new ATOM 0 HD3 PRO A 441 30.276 18.801 6.811 1.00 1.00 H new ATOM 192 N MET A 442 29.739 14.959 4.713 1.00 1.00 N ATOM 193 CA MET A 442 29.225 13.600 4.586 1.00 1.00 C ATOM 194 C MET A 442 29.308 13.082 3.149 1.00 1.00 C ATOM 195 O MET A 442 29.661 11.925 2.921 1.00 1.00 O ATOM 196 CB MET A 442 27.764 13.550 5.047 1.00 1.00 C ATOM 197 CG MET A 442 27.655 13.924 6.528 1.00 1.00 C ATOM 198 SD MET A 442 28.557 12.716 7.542 1.00 1.00 S ATOM 199 CE MET A 442 27.422 11.317 7.340 1.00 1.00 C ATOM 0 H MET A 442 29.048 15.654 4.997 1.00 1.00 H new ATOM 0 HA MET A 442 29.847 12.962 5.214 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.164 14.235 4.448 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.360 12.550 4.888 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.061 14.923 6.690 1.00 1.00 H new ATOM 0 HG3 MET A 442 26.608 13.953 6.828 1.00 1.00 H new ATOM 0 HE1 MET A 442 27.547 10.624 8.172 1.00 1.00 H new ATOM 0 HE2 MET A 442 26.395 11.681 7.323 1.00 1.00 H new ATOM 0 HE3 MET A 442 27.640 10.804 6.404 1.00 1.00 H new ATOM 209 N TRP A 443 28.971 13.926 2.173 1.00 1.00 N ATOM 210 CA TRP A 443 29.000 13.480 0.777 1.00 1.00 C ATOM 211 C TRP A 443 30.426 13.197 0.300 1.00 1.00 C ATOM 212 O TRP A 443 30.696 12.152 -0.296 1.00 1.00 O ATOM 213 CB TRP A 443 28.354 14.525 -0.135 1.00 1.00 C ATOM 214 CG TRP A 443 29.093 15.823 -0.045 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.773 16.847 0.777 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.255 16.261 -0.810 1.00 1.00 C ATOM 217 NE1 TRP A 443 29.673 17.879 0.578 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.604 17.567 -0.391 1.00 1.00 C ATOM 219 CE3 TRP A 443 31.032 15.657 -1.812 1.00 1.00 C ATOM 220 CZ2 TRP A 443 31.688 18.248 -0.948 1.00 1.00 C ATOM 221 CZ3 TRP A 443 32.123 16.339 -2.376 1.00 1.00 C ATOM 222 CH2 TRP A 443 32.450 17.632 -1.944 1.00 1.00 C ATOM 0 H TRP A 443 28.683 14.894 2.314 1.00 1.00 H new ATOM 0 HA TRP A 443 28.433 12.551 0.725 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.356 14.169 -1.165 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.312 14.672 0.150 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.949 16.858 1.475 1.00 1.00 H new ATOM 0 HE1 TRP A 443 29.651 18.763 1.086 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.789 14.661 -2.151 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 31.936 19.244 -0.611 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.713 15.865 -3.146 1.00 1.00 H new ATOM 0 HH2 TRP A 443 33.290 18.151 -2.381 1.00 1.00 H new ATOM 233 N VAL A 444 31.341 14.125 0.558 1.00 1.00 N ATOM 234 CA VAL A 444 32.727 13.938 0.137 1.00 1.00 C ATOM 235 C VAL A 444 33.364 12.764 0.876 1.00 1.00 C ATOM 236 O VAL A 444 34.149 12.015 0.301 1.00 1.00 O ATOM 237 CB VAL A 444 33.541 15.219 0.364 1.00 1.00 C ATOM 238 CG1 VAL A 444 34.063 15.269 1.799 1.00 1.00 C ATOM 239 CG2 VAL A 444 34.732 15.248 -0.600 1.00 1.00 C ATOM 0 H VAL A 444 31.155 15.000 1.048 1.00 1.00 H new ATOM 0 HA VAL A 444 32.728 13.714 -0.930 1.00 1.00 H new ATOM 0 HB VAL A 444 32.895 16.079 0.186 1.00 1.00 H new ATOM 0 HG11 VAL A 444 34.638 16.183 1.945 1.00 1.00 H new ATOM 0 HG12 VAL A 444 33.222 15.255 2.493 1.00 1.00 H new ATOM 0 HG13 VAL A 444 34.701 14.405 1.984 1.00 1.00 H new ATOM 0 HG21 VAL A 444 35.309 16.158 -0.438 1.00 1.00 H new ATOM 0 HG22 VAL A 444 35.366 14.380 -0.421 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.369 15.227 -1.628 1.00 1.00 H new ATOM 249 N LEU A 445 33.020 12.610 2.147 1.00 1.00 N ATOM 250 CA LEU A 445 33.570 11.526 2.950 1.00 1.00 C ATOM 251 C LEU A 445 33.181 10.174 2.355 1.00 1.00 C ATOM 252 O LEU A 445 33.984 9.243 2.303 1.00 1.00 O ATOM 253 CB LEU A 445 33.047 11.626 4.387 1.00 1.00 C ATOM 254 CG LEU A 445 33.607 10.476 5.244 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.140 10.490 5.226 1.00 1.00 C ATOM 256 CD2 LEU A 445 33.115 10.643 6.679 1.00 1.00 C ATOM 0 H LEU A 445 32.367 13.217 2.642 1.00 1.00 H new ATOM 0 HA LEU A 445 34.657 11.611 2.953 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.335 12.584 4.820 1.00 1.00 H new ATOM 0 HB3 LEU A 445 31.958 11.591 4.387 1.00 1.00 H new ATOM 0 HG LEU A 445 33.263 9.526 4.836 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.519 9.670 5.837 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.493 10.372 4.201 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.500 11.438 5.627 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.506 9.833 7.294 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.461 11.598 7.074 1.00 1.00 H new ATOM 0 HD23 LEU A 445 32.025 10.617 6.695 1.00 1.00 H new ATOM 268 N ALA A 446 31.920 10.079 1.925 1.00 1.00 N ATOM 269 CA ALA A 446 31.392 8.842 1.357 1.00 1.00 C ATOM 270 C ALA A 446 32.151 8.434 0.091 1.00 1.00 C ATOM 271 O ALA A 446 32.398 7.256 -0.158 1.00 1.00 O ATOM 272 CB ALA A 446 29.906 9.004 1.036 1.00 1.00 C ATOM 0 H ALA A 446 31.248 10.846 1.961 1.00 1.00 H new ATOM 0 HA ALA A 446 31.523 8.055 2.099 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.522 8.076 0.613 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.360 9.240 1.949 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.775 9.812 0.316 1.00 1.00 H new ATOM 278 N LEU A 447 32.509 9.439 -0.705 1.00 1.00 N ATOM 279 CA LEU A 447 33.232 9.205 -1.959 1.00 1.00 C ATOM 280 C LEU A 447 34.606 8.586 -1.697 1.00 1.00 C ATOM 281 O LEU A 447 35.025 7.683 -2.414 1.00 1.00 O ATOM 282 CB LEU A 447 33.408 10.530 -2.699 1.00 1.00 C ATOM 283 CG LEU A 447 32.053 11.028 -3.220 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.216 12.436 -3.812 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.523 10.080 -4.297 1.00 1.00 C ATOM 0 H LEU A 447 32.313 10.420 -0.508 1.00 1.00 H new ATOM 0 HA LEU A 447 32.651 8.510 -2.565 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.845 11.273 -2.032 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.101 10.402 -3.530 1.00 1.00 H new ATOM 0 HG LEU A 447 31.344 11.058 -2.393 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.253 12.789 -4.182 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.580 13.115 -3.041 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.931 12.404 -4.634 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.561 10.443 -4.660 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.231 10.038 -5.125 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.399 9.083 -3.875 1.00 1.00 H new ATOM 297 N ILE A 448 35.299 9.056 -0.661 1.00 1.00 N ATOM 298 CA ILE A 448 36.621 8.524 -0.314 1.00 1.00 C ATOM 299 C ILE A 448 36.562 7.054 0.032 1.00 1.00 C ATOM 300 O ILE A 448 37.435 6.283 -0.356 1.00 1.00 O ATOM 301 CB ILE A 448 37.243 9.301 0.857 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.294 10.804 0.507 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.630 8.743 1.155 1.00 1.00 C ATOM 304 CD1 ILE A 448 38.123 11.054 -0.774 1.00 1.00 C ATOM 0 H ILE A 448 34.971 9.802 -0.047 1.00 1.00 H new ATOM 0 HA ILE A 448 37.248 8.646 -1.197 1.00 1.00 H new ATOM 0 HB ILE A 448 36.634 9.186 1.754 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.281 11.182 0.367 1.00 1.00 H new ATOM 0 HG13 ILE A 448 37.729 11.359 1.338 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.073 9.293 1.985 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.549 7.689 1.420 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.262 8.848 0.273 1.00 1.00 H new ATOM 0 HD11 ILE A 448 38.140 12.121 -0.994 1.00 1.00 H new ATOM 0 HD12 ILE A 448 39.142 10.698 -0.623 1.00 1.00 H new ATOM 0 HD13 ILE A 448 37.672 10.519 -1.610 1.00 1.00 H new ATOM 316 N VAL A 449 35.557 6.685 0.816 1.00 1.00 N ATOM 317 CA VAL A 449 35.402 5.302 1.272 1.00 1.00 C ATOM 318 C VAL A 449 35.207 4.350 0.075 1.00 1.00 C ATOM 319 O VAL A 449 35.719 3.220 0.039 1.00 1.00 O ATOM 320 CB VAL A 449 34.213 5.198 2.205 1.00 1.00 C ATOM 321 CG1 VAL A 449 33.950 3.719 2.466 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.514 5.934 3.528 1.00 1.00 C ATOM 0 H VAL A 449 34.834 7.322 1.152 1.00 1.00 H new ATOM 0 HA VAL A 449 36.308 5.011 1.803 1.00 1.00 H new ATOM 0 HB VAL A 449 33.334 5.660 1.756 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.097 3.614 3.136 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.735 3.216 1.523 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.830 3.268 2.925 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.654 5.854 4.193 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.384 5.483 4.005 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.717 6.985 3.322 1.00 1.00 H new ATOM 332 N ILE A 450 34.427 4.812 -0.905 1.00 1.00 N ATOM 333 CA ILE A 450 34.175 3.993 -2.125 1.00 1.00 C ATOM 334 C ILE A 450 35.485 3.805 -2.892 1.00 1.00 C ATOM 335 O ILE A 450 35.762 2.713 -3.386 1.00 1.00 O ATOM 336 CB ILE A 450 33.153 4.652 -3.056 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.795 4.748 -2.348 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.010 3.807 -4.346 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.254 3.385 -1.898 1.00 1.00 C ATOM 0 H ILE A 450 33.964 5.721 -0.895 1.00 1.00 H new ATOM 0 HA ILE A 450 33.774 3.033 -1.799 1.00 1.00 H new ATOM 0 HB ILE A 450 33.493 5.655 -3.315 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.890 5.399 -1.479 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.074 5.215 -3.019 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.283 4.275 -5.009 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.975 3.747 -4.850 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.672 2.803 -4.088 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.292 3.520 -1.404 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.128 2.739 -2.767 1.00 1.00 H new ATOM 0 HD13 ILE A 450 31.957 2.926 -1.203 1.00 1.00 H new ATOM 351 N PHE A 451 36.268 4.878 -3.038 1.00 1.00 N ATOM 352 CA PHE A 451 37.521 4.746 -3.791 1.00 1.00 C ATOM 353 C PHE A 451 38.456 3.761 -3.106 1.00 1.00 C ATOM 354 O PHE A 451 39.079 2.923 -3.752 1.00 1.00 O ATOM 355 CB PHE A 451 38.240 6.091 -3.974 1.00 1.00 C ATOM 356 CG PHE A 451 37.488 6.949 -4.957 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.418 6.565 -6.301 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.862 8.123 -4.529 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.723 7.357 -7.217 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.164 8.917 -5.444 1.00 1.00 C ATOM 361 CZ PHE A 451 36.096 8.536 -6.789 1.00 1.00 C ATOM 0 H PHE A 451 36.072 5.807 -2.665 1.00 1.00 H new ATOM 0 HA PHE A 451 37.253 4.374 -4.780 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.317 6.604 -3.016 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.257 5.924 -4.329 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.901 5.657 -6.629 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.917 8.417 -3.491 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.668 7.062 -8.254 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.678 9.823 -5.113 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.560 9.150 -7.498 1.00 1.00 H new ATOM 371 N LEU A 452 38.563 3.878 -1.792 1.00 1.00 N ATOM 372 CA LEU A 452 39.432 2.994 -1.026 1.00 1.00 C ATOM 373 C LEU A 452 38.921 1.549 -1.043 1.00 1.00 C ATOM 374 O LEU A 452 39.712 0.610 -1.124 1.00 1.00 O ATOM 375 CB LEU A 452 39.542 3.474 0.419 1.00 1.00 C ATOM 376 CG LEU A 452 40.329 4.792 0.473 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.221 5.376 1.882 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.809 4.550 0.140 1.00 1.00 C ATOM 0 H LEU A 452 38.063 4.571 -1.235 1.00 1.00 H new ATOM 0 HA LEU A 452 40.415 3.019 -1.496 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.547 3.617 0.841 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.040 2.718 1.026 1.00 1.00 H new ATOM 0 HG LEU A 452 39.913 5.485 -0.259 1.00 1.00 H new ATOM 0 HD11 LEU A 452 40.777 6.312 1.931 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.174 5.563 2.119 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.636 4.670 2.601 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.351 5.495 0.183 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.235 3.854 0.862 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.892 4.129 -0.862 1.00 1.00 H new ATOM 390 N THR A 453 37.603 1.376 -0.952 1.00 1.00 N ATOM 391 CA THR A 453 37.037 0.026 -0.939 1.00 1.00 C ATOM 392 C THR A 453 37.319 -0.705 -2.249 1.00 1.00 C ATOM 393 O THR A 453 37.646 -1.893 -2.254 1.00 1.00 O ATOM 394 CB THR A 453 35.526 0.100 -0.714 1.00 1.00 C ATOM 395 OG1 THR A 453 34.968 1.018 -1.639 1.00 1.00 O ATOM 396 CG2 THR A 453 35.235 0.576 0.710 1.00 1.00 C ATOM 0 H THR A 453 36.921 2.132 -0.888 1.00 1.00 H new ATOM 0 HA THR A 453 37.507 -0.529 -0.127 1.00 1.00 H new ATOM 0 HB THR A 453 35.088 -0.888 -0.857 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.687 1.521 -2.075 1.00 1.00 H new ATOM 0 HG21 THR A 453 34.157 0.627 0.864 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.671 -0.123 1.424 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.669 1.565 0.859 1.00 1.00 H new ATOM 404 N ILE A 454 37.183 0.013 -3.356 1.00 1.00 N ATOM 405 CA ILE A 454 37.416 -0.557 -4.673 1.00 1.00 C ATOM 406 C ILE A 454 38.882 -0.946 -4.854 1.00 1.00 C ATOM 407 O ILE A 454 39.202 -1.998 -5.404 1.00 1.00 O ATOM 408 CB ILE A 454 37.021 0.451 -5.753 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.501 0.651 -5.732 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.443 -0.083 -7.121 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.128 1.852 -6.607 1.00 1.00 C ATOM 0 H ILE A 454 36.911 0.996 -3.366 1.00 1.00 H new ATOM 0 HA ILE A 454 36.806 -1.455 -4.765 1.00 1.00 H new ATOM 0 HB ILE A 454 37.516 1.403 -5.563 1.00 1.00 H new ATOM 0 HG12 ILE A 454 35.001 -0.246 -6.096 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.160 0.813 -4.710 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.163 0.633 -7.893 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.523 -0.230 -7.137 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.945 -1.034 -7.310 1.00 1.00 H new ATOM 0 HD11 ILE A 454 34.047 1.992 -6.591 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.616 2.748 -6.223 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.455 1.672 -7.631 1.00 1.00 H new ATOM 423 N ALA A 455 39.763 -0.051 -4.409 1.00 1.00 N ATOM 424 CA ALA A 455 41.202 -0.266 -4.555 1.00 1.00 C ATOM 425 C ALA A 455 41.696 -1.507 -3.810 1.00 1.00 C ATOM 426 O ALA A 455 42.457 -2.300 -4.365 1.00 1.00 O ATOM 427 CB ALA A 455 41.957 0.963 -4.042 1.00 1.00 C ATOM 0 H ALA A 455 39.509 0.823 -3.948 1.00 1.00 H new ATOM 0 HA ALA A 455 41.395 -0.425 -5.616 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.030 0.803 -4.151 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.661 1.839 -4.619 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.719 1.124 -2.990 1.00 1.00 H new ATOM 433 N VAL A 456 41.282 -1.676 -2.559 1.00 1.00 N ATOM 434 CA VAL A 456 41.728 -2.827 -1.783 1.00 1.00 C ATOM 435 C VAL A 456 41.197 -4.139 -2.357 1.00 1.00 C ATOM 436 O VAL A 456 41.935 -5.122 -2.425 1.00 1.00 O ATOM 437 CB VAL A 456 41.314 -2.681 -0.312 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.972 -1.432 0.277 1.00 1.00 C ATOM 439 CG2 VAL A 456 39.794 -2.551 -0.203 1.00 1.00 C ATOM 0 H VAL A 456 40.650 -1.044 -2.068 1.00 1.00 H new ATOM 0 HA VAL A 456 42.816 -2.857 -1.842 1.00 1.00 H new ATOM 0 HB VAL A 456 41.636 -3.565 0.238 1.00 1.00 H new ATOM 0 HG11 VAL A 456 41.680 -1.325 1.322 1.00 1.00 H new ATOM 0 HG12 VAL A 456 43.056 -1.526 0.211 1.00 1.00 H new ATOM 0 HG13 VAL A 456 41.650 -0.553 -0.281 1.00 1.00 H new ATOM 0 HG21 VAL A 456 39.512 -2.448 0.845 1.00 1.00 H new ATOM 0 HG22 VAL A 456 39.463 -1.672 -0.756 1.00 1.00 H new ATOM 0 HG23 VAL A 456 39.322 -3.441 -0.620 1.00 1.00 H new ATOM 449 N LEU A 457 39.932 -4.175 -2.769 1.00 1.00 N ATOM 450 CA LEU A 457 39.379 -5.409 -3.324 1.00 1.00 C ATOM 451 C LEU A 457 40.113 -5.801 -4.604 1.00 1.00 C ATOM 452 O LEU A 457 40.448 -6.969 -4.813 1.00 1.00 O ATOM 453 CB LEU A 457 37.888 -5.236 -3.632 1.00 1.00 C ATOM 454 CG LEU A 457 37.092 -5.119 -2.327 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.648 -4.730 -2.646 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.106 -6.456 -1.572 1.00 1.00 C ATOM 0 H LEU A 457 39.285 -3.387 -2.732 1.00 1.00 H new ATOM 0 HA LEU A 457 39.507 -6.197 -2.582 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.735 -4.345 -4.242 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.527 -6.085 -4.212 1.00 1.00 H new ATOM 0 HG LEU A 457 37.551 -4.355 -1.700 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.080 -4.646 -1.719 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.636 -3.772 -3.167 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.197 -5.494 -3.280 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.537 -6.358 -0.648 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.657 -7.230 -2.194 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.134 -6.731 -1.338 1.00 1.00 H new ATOM 468 N LEU A 458 40.361 -4.808 -5.452 1.00 1.00 N ATOM 469 CA LEU A 458 41.058 -5.035 -6.711 1.00 1.00 C ATOM 470 C LEU A 458 42.490 -5.503 -6.481 1.00 1.00 C ATOM 471 O LEU A 458 42.984 -6.379 -7.191 1.00 1.00 O ATOM 472 CB LEU A 458 41.071 -3.753 -7.547 1.00 1.00 C ATOM 473 CG LEU A 458 39.656 -3.445 -8.050 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.640 -2.057 -8.692 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.217 -4.492 -9.084 1.00 1.00 C ATOM 0 H LEU A 458 40.089 -3.838 -5.289 1.00 1.00 H new ATOM 0 HA LEU A 458 40.522 -5.819 -7.246 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.443 -2.922 -6.948 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.750 -3.866 -8.392 1.00 1.00 H new ATOM 0 HG LEU A 458 38.965 -3.472 -7.207 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.635 -1.834 -9.051 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.935 -1.311 -7.954 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.338 -2.035 -9.529 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.210 -4.260 -9.432 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.905 -4.479 -9.929 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.224 -5.481 -8.626 1.00 1.00 H new ATOM 487 N ALA A 459 43.165 -4.896 -5.510 1.00 1.00 N ATOM 488 CA ALA A 459 44.553 -5.242 -5.228 1.00 1.00 C ATOM 489 C ALA A 459 44.698 -6.701 -4.812 1.00 1.00 C ATOM 490 O ALA A 459 45.633 -7.389 -5.215 1.00 1.00 O ATOM 491 CB ALA A 459 45.094 -4.339 -4.118 1.00 1.00 C ATOM 0 H ALA A 459 42.777 -4.168 -4.910 1.00 1.00 H new ATOM 0 HA ALA A 459 45.125 -5.094 -6.144 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.132 -4.600 -3.910 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.039 -3.298 -4.437 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.498 -4.474 -3.216 1.00 1.00 H new ATOM 497 N LEU A 460 43.769 -7.145 -3.969 1.00 1.00 N ATOM 498 CA LEU A 460 43.811 -8.512 -3.464 1.00 1.00 C ATOM 499 C LEU A 460 43.681 -9.518 -4.602 1.00 1.00 C ATOM 500 O LEU A 460 44.414 -10.505 -4.643 1.00 1.00 O ATOM 501 CB LEU A 460 42.668 -8.728 -2.465 1.00 1.00 C ATOM 502 CG LEU A 460 42.925 -7.918 -1.187 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.670 -7.937 -0.314 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.096 -8.516 -0.393 1.00 1.00 C ATOM 0 H LEU A 460 42.988 -6.586 -3.626 1.00 1.00 H new ATOM 0 HA LEU A 460 44.771 -8.665 -2.971 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.721 -8.425 -2.913 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.582 -9.787 -2.222 1.00 1.00 H new ATOM 0 HG LEU A 460 43.174 -6.895 -1.468 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.850 -7.362 0.595 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.838 -7.496 -0.863 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.426 -8.966 -0.050 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.262 -7.927 0.509 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.861 -9.544 -0.117 1.00 1.00 H new ATOM 0 HD23 LEU A 460 44.997 -8.501 -1.007 1.00 1.00 H new ATOM 516 N ARG A 461 42.768 -9.270 -5.534 1.00 1.00 N ATOM 517 CA ARG A 461 42.597 -10.182 -6.662 1.00 1.00 C ATOM 518 C ARG A 461 43.849 -10.157 -7.534 1.00 1.00 C ATOM 519 O ARG A 461 44.344 -11.198 -7.967 1.00 1.00 O ATOM 520 CB ARG A 461 41.354 -9.771 -7.472 1.00 1.00 C ATOM 521 CG ARG A 461 41.081 -10.766 -8.616 1.00 1.00 C ATOM 522 CD ARG A 461 41.751 -10.308 -9.923 1.00 1.00 C ATOM 523 NE ARG A 461 41.376 -11.204 -11.012 1.00 1.00 N ATOM 524 CZ ARG A 461 42.193 -11.430 -12.039 1.00 1.00 C ATOM 525 NH1 ARG A 461 43.349 -10.825 -12.107 1.00 1.00 N ATOM 526 NH2 ARG A 461 41.833 -12.252 -12.986 1.00 1.00 N ATOM 0 H ARG A 461 42.145 -8.462 -5.534 1.00 1.00 H new ATOM 0 HA ARG A 461 42.451 -11.199 -6.298 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.487 -9.723 -6.813 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.498 -8.772 -7.882 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.453 -11.753 -8.340 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.006 -10.862 -8.769 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.449 -9.288 -10.159 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.834 -10.300 -9.803 1.00 1.00 H new ATOM 0 HE ARG A 461 40.468 -11.668 -10.986 1.00 1.00 H new ATOM 0 HH11 ARG A 461 43.629 -10.176 -11.371 1.00 1.00 H new ATOM 0 HH12 ARG A 461 43.971 -11.001 -12.896 1.00 1.00 H new ATOM 0 HH21 ARG A 461 40.928 -12.720 -12.939 1.00 1.00 H new ATOM 0 HH22 ARG A 461 42.457 -12.427 -13.774 1.00 1.00 H new ATOM 540 N PHE A 462 44.351 -8.952 -7.778 1.00 1.00 N ATOM 541 CA PHE A 462 45.545 -8.747 -8.590 1.00 1.00 C ATOM 542 C PHE A 462 46.757 -9.410 -7.956 1.00 1.00 C ATOM 543 O PHE A 462 47.524 -10.089 -8.632 1.00 1.00 O ATOM 544 CB PHE A 462 45.813 -7.250 -8.753 1.00 1.00 C ATOM 545 CG PHE A 462 47.043 -7.047 -9.604 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.983 -7.268 -10.986 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.244 -6.640 -9.011 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.125 -7.081 -11.773 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.385 -6.453 -9.799 1.00 1.00 C ATOM 550 CZ PHE A 462 49.325 -6.673 -11.181 1.00 1.00 C ATOM 0 H PHE A 462 43.942 -8.090 -7.419 1.00 1.00 H new ATOM 0 HA PHE A 462 45.372 -9.200 -9.566 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.954 -6.764 -9.216 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.953 -6.787 -7.776 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.057 -7.582 -11.444 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.290 -6.470 -7.945 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.080 -7.252 -12.838 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.312 -6.139 -9.342 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.205 -6.528 -11.790 1.00 1.00 H new ATOM 560 N CYS A 463 46.920 -9.225 -6.654 1.00 1.00 N ATOM 561 CA CYS A 463 48.030 -9.816 -5.930 1.00 1.00 C ATOM 562 C CYS A 463 47.751 -11.282 -5.654 1.00 1.00 C ATOM 563 O CYS A 463 48.668 -12.063 -5.402 1.00 1.00 O ATOM 564 CB CYS A 463 48.250 -9.077 -4.611 1.00 1.00 C ATOM 565 SG CYS A 463 48.578 -7.329 -4.945 1.00 1.00 S ATOM 0 H CYS A 463 46.292 -8.666 -6.077 1.00 1.00 H new ATOM 0 HA CYS A 463 48.929 -9.732 -6.540 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.371 -9.178 -3.975 1.00 1.00 H new ATOM 0 HB3 CYS A 463 49.087 -9.518 -4.070 1.00 1.00 H new ATOM 0 HG CYS A 463 47.457 -6.715 -5.183 1.00 1.00 H new ATOM 571 N GLY A 464 46.475 -11.649 -5.700 1.00 1.00 N ATOM 572 CA GLY A 464 46.097 -13.031 -5.444 1.00 1.00 C ATOM 573 C GLY A 464 46.714 -13.964 -6.480 1.00 1.00 C ATOM 574 O GLY A 464 47.311 -14.982 -6.131 1.00 1.00 O ATOM 0 H GLY A 464 45.699 -11.021 -5.908 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.423 -13.323 -4.446 1.00 1.00 H new ATOM 0 HA3 GLY A 464 45.011 -13.125 -5.465 1.00 1.00 H new ATOM 578 N ILE A 465 46.571 -13.614 -7.755 1.00 1.00 N ATOM 579 CA ILE A 465 47.125 -14.431 -8.831 1.00 1.00 C ATOM 580 C ILE A 465 48.657 -14.434 -8.792 1.00 1.00 C ATOM 581 O ILE A 465 49.282 -15.474 -8.995 1.00 1.00 O ATOM 582 CB ILE A 465 46.606 -13.952 -10.197 1.00 1.00 C ATOM 583 CG1 ILE A 465 46.984 -12.487 -10.437 1.00 1.00 C ATOM 584 CG2 ILE A 465 45.083 -14.086 -10.235 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.589 -12.088 -11.860 1.00 1.00 C ATOM 0 H ILE A 465 46.080 -12.776 -8.067 1.00 1.00 H new ATOM 0 HA ILE A 465 46.791 -15.458 -8.682 1.00 1.00 H new ATOM 0 HB ILE A 465 47.059 -14.566 -10.975 1.00 1.00 H new ATOM 0 HG12 ILE A 465 46.479 -11.846 -9.714 1.00 1.00 H new ATOM 0 HG13 ILE A 465 48.055 -12.348 -10.292 1.00 1.00 H new ATOM 0 HG21 ILE A 465 44.712 -13.747 -11.202 1.00 1.00 H new ATOM 0 HG22 ILE A 465 44.806 -15.129 -10.085 1.00 1.00 H new ATOM 0 HG23 ILE A 465 44.644 -13.477 -9.445 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.857 -11.046 -12.033 1.00 1.00 H new ATOM 0 HD12 ILE A 465 47.115 -12.721 -12.575 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.514 -12.212 -11.987 1.00 1.00 H new ATOM 597 N TYR A 466 49.260 -13.275 -8.537 1.00 1.00 N ATOM 598 CA TYR A 466 50.720 -13.197 -8.488 1.00 1.00 C ATOM 599 C TYR A 466 51.278 -13.864 -7.230 1.00 1.00 C ATOM 600 O TYR A 466 52.444 -14.255 -7.195 1.00 1.00 O ATOM 601 CB TYR A 466 51.189 -11.741 -8.549 1.00 1.00 C ATOM 602 CG TYR A 466 51.232 -11.287 -9.990 1.00 1.00 C ATOM 603 CD1 TYR A 466 52.222 -11.782 -10.847 1.00 1.00 C ATOM 604 CD2 TYR A 466 50.284 -10.376 -10.472 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.265 -11.367 -12.183 1.00 1.00 C ATOM 606 CE2 TYR A 466 50.326 -9.962 -11.807 1.00 1.00 C ATOM 607 CZ TYR A 466 51.317 -10.457 -12.664 1.00 1.00 C ATOM 608 OH TYR A 466 51.358 -10.048 -13.981 1.00 1.00 O ATOM 0 H TYR A 466 48.775 -12.395 -8.364 1.00 1.00 H new ATOM 0 HA TYR A 466 51.099 -13.733 -9.358 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.514 -11.106 -7.976 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.176 -11.646 -8.097 1.00 1.00 H new ATOM 0 HD1 TYR A 466 52.954 -12.485 -10.477 1.00 1.00 H new ATOM 0 HD2 TYR A 466 49.520 -9.993 -9.812 1.00 1.00 H new ATOM 0 HE1 TYR A 466 53.030 -11.749 -12.843 1.00 1.00 H new ATOM 0 HE2 TYR A 466 49.594 -9.260 -12.178 1.00 1.00 H new ATOM 0 HH TYR A 466 50.628 -9.416 -14.150 1.00 1.00 H new ATOM 618 N GLY A 467 50.440 -14.004 -6.206 1.00 1.00 N ATOM 619 CA GLY A 467 50.877 -14.640 -4.964 1.00 1.00 C ATOM 620 C GLY A 467 51.595 -13.653 -4.048 1.00 1.00 C ATOM 621 O GLY A 467 52.370 -14.055 -3.179 1.00 1.00 O ATOM 0 H GLY A 467 49.469 -13.691 -6.209 1.00 1.00 H new ATOM 0 HA2 GLY A 467 50.014 -15.057 -4.445 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.542 -15.472 -5.195 1.00 1.00 H new ATOM 625 N TYR A 468 51.323 -12.366 -4.243 1.00 1.00 N ATOM 626 CA TYR A 468 51.937 -11.318 -3.427 1.00 1.00 C ATOM 627 C TYR A 468 53.460 -11.393 -3.478 1.00 1.00 C ATOM 628 O TYR A 468 54.076 -11.070 -4.493 1.00 1.00 O ATOM 629 CB TYR A 468 51.479 -11.459 -1.972 1.00 1.00 C ATOM 630 CG TYR A 468 49.986 -11.258 -1.885 1.00 1.00 C ATOM 631 CD1 TYR A 468 49.124 -12.336 -2.120 1.00 1.00 C ATOM 632 CD2 TYR A 468 49.464 -9.998 -1.573 1.00 1.00 C ATOM 633 CE1 TYR A 468 47.739 -12.154 -2.042 1.00 1.00 C ATOM 634 CE2 TYR A 468 48.078 -9.816 -1.496 1.00 1.00 C ATOM 635 CZ TYR A 468 47.216 -10.894 -1.730 1.00 1.00 C ATOM 636 OH TYR A 468 45.851 -10.716 -1.655 1.00 1.00 O ATOM 0 H TYR A 468 50.682 -12.022 -4.958 1.00 1.00 H new ATOM 0 HA TYR A 468 51.623 -10.355 -3.830 1.00 1.00 H new ATOM 0 HB2 TYR A 468 51.745 -12.445 -1.591 1.00 1.00 H new ATOM 0 HB3 TYR A 468 51.991 -10.727 -1.347 1.00 1.00 H new ATOM 0 HD1 TYR A 468 49.528 -13.308 -2.361 1.00 1.00 H new ATOM 0 HD2 TYR A 468 50.129 -9.167 -1.392 1.00 1.00 H new ATOM 0 HE1 TYR A 468 47.074 -12.985 -2.222 1.00 1.00 H new ATOM 0 HE2 TYR A 468 47.674 -8.844 -1.256 1.00 1.00 H new ATOM 0 HH TYR A 468 45.474 -10.692 -2.559 1.00 1.00 H new ATOM 646 N ARG A 469 54.059 -11.818 -2.369 1.00 1.00 N ATOM 647 CA ARG A 469 55.511 -11.923 -2.282 1.00 1.00 C ATOM 648 C ARG A 469 56.042 -12.972 -3.256 1.00 1.00 C ATOM 649 O ARG A 469 57.093 -12.785 -3.871 1.00 1.00 O ATOM 650 CB ARG A 469 55.920 -12.296 -0.856 1.00 1.00 C ATOM 651 CG ARG A 469 55.674 -11.106 0.073 1.00 1.00 C ATOM 652 CD ARG A 469 56.045 -11.490 1.506 1.00 1.00 C ATOM 653 NE ARG A 469 55.812 -10.366 2.407 1.00 1.00 N ATOM 654 CZ ARG A 469 56.765 -9.475 2.665 1.00 1.00 C ATOM 655 NH1 ARG A 469 57.934 -9.577 2.091 1.00 1.00 N ATOM 656 NH2 ARG A 469 56.528 -8.491 3.489 1.00 1.00 N ATOM 0 H ARG A 469 53.563 -12.094 -1.522 1.00 1.00 H new ATOM 0 HA ARG A 469 55.939 -10.956 -2.546 1.00 1.00 H new ATOM 0 HB2 ARG A 469 55.349 -13.160 -0.517 1.00 1.00 H new ATOM 0 HB3 ARG A 469 56.972 -12.580 -0.830 1.00 1.00 H new ATOM 0 HG2 ARG A 469 56.267 -10.250 -0.250 1.00 1.00 H new ATOM 0 HG3 ARG A 469 54.628 -10.805 0.026 1.00 1.00 H new ATOM 0 HD2 ARG A 469 55.454 -12.349 1.824 1.00 1.00 H new ATOM 0 HD3 ARG A 469 57.092 -11.790 1.550 1.00 1.00 H new ATOM 0 HE ARG A 469 54.898 -10.261 2.848 1.00 1.00 H new ATOM 0 HH11 ARG A 469 58.119 -10.342 1.442 1.00 1.00 H new ATOM 0 HH12 ARG A 469 58.662 -8.892 2.292 1.00 1.00 H new ATOM 0 HH21 ARG A 469 55.614 -8.407 3.933 1.00 1.00 H new ATOM 0 HH22 ARG A 469 57.257 -7.806 3.689 1.00 1.00 H new ATOM 670 N LEU A 470 55.316 -14.076 -3.385 1.00 1.00 N ATOM 671 CA LEU A 470 55.732 -15.150 -4.281 1.00 1.00 C ATOM 672 C LEU A 470 55.518 -14.750 -5.737 1.00 1.00 C ATOM 673 O LEU A 470 54.516 -14.125 -6.078 1.00 1.00 O ATOM 674 CB LEU A 470 54.934 -16.420 -3.978 1.00 1.00 C ATOM 675 CG LEU A 470 55.340 -16.969 -2.605 1.00 1.00 C ATOM 676 CD1 LEU A 470 54.392 -18.103 -2.211 1.00 1.00 C ATOM 677 CD2 LEU A 470 56.781 -17.499 -2.647 1.00 1.00 C ATOM 0 H LEU A 470 54.444 -14.251 -2.886 1.00 1.00 H new ATOM 0 HA LEU A 470 56.794 -15.339 -4.121 1.00 1.00 H new ATOM 0 HB2 LEU A 470 53.866 -16.202 -3.992 1.00 1.00 H new ATOM 0 HB3 LEU A 470 55.117 -17.169 -4.749 1.00 1.00 H new ATOM 0 HG LEU A 470 55.281 -16.165 -1.871 1.00 1.00 H new ATOM 0 HD11 LEU A 470 54.679 -18.495 -1.235 1.00 1.00 H new ATOM 0 HD12 LEU A 470 53.371 -17.724 -2.164 1.00 1.00 H new ATOM 0 HD13 LEU A 470 54.449 -18.900 -2.953 1.00 1.00 H new ATOM 0 HD21 LEU A 470 57.055 -17.885 -1.665 1.00 1.00 H new ATOM 0 HD22 LEU A 470 56.853 -18.298 -3.385 1.00 1.00 H new ATOM 0 HD23 LEU A 470 57.458 -16.690 -2.921 1.00 1.00 H new ATOM 689 N ARG A 471 56.473 -15.117 -6.588 1.00 1.00 N ATOM 690 CA ARG A 471 56.389 -14.798 -8.009 1.00 1.00 C ATOM 691 C ARG A 471 56.655 -16.041 -8.853 1.00 1.00 C ATOM 692 O ARG A 471 57.458 -16.895 -8.475 1.00 1.00 O ATOM 693 CB ARG A 471 57.407 -13.712 -8.363 1.00 1.00 C ATOM 694 CG ARG A 471 56.996 -12.393 -7.706 1.00 1.00 C ATOM 695 CD ARG A 471 58.029 -11.313 -8.034 1.00 1.00 C ATOM 696 NE ARG A 471 57.654 -10.048 -7.411 1.00 1.00 N ATOM 697 CZ ARG A 471 58.223 -8.905 -7.780 1.00 1.00 C ATOM 698 NH1 ARG A 471 59.134 -8.901 -8.714 1.00 1.00 N ATOM 699 NH2 ARG A 471 57.870 -7.786 -7.208 1.00 1.00 N ATOM 0 H ARG A 471 57.310 -15.633 -6.319 1.00 1.00 H new ATOM 0 HA ARG A 471 55.383 -14.435 -8.222 1.00 1.00 H new ATOM 0 HB2 ARG A 471 58.400 -14.005 -8.024 1.00 1.00 H new ATOM 0 HB3 ARG A 471 57.463 -13.590 -9.445 1.00 1.00 H new ATOM 0 HG2 ARG A 471 56.012 -12.089 -8.062 1.00 1.00 H new ATOM 0 HG3 ARG A 471 56.919 -12.521 -6.626 1.00 1.00 H new ATOM 0 HD2 ARG A 471 59.013 -11.622 -7.681 1.00 1.00 H new ATOM 0 HD3 ARG A 471 58.103 -11.187 -9.114 1.00 1.00 H new ATOM 0 HE ARG A 471 56.943 -10.041 -6.680 1.00 1.00 H new ATOM 0 HH11 ARG A 471 59.410 -9.775 -9.161 1.00 1.00 H new ATOM 0 HH12 ARG A 471 59.570 -8.024 -8.997 1.00 1.00 H new ATOM 0 HH21 ARG A 471 57.158 -7.789 -6.478 1.00 1.00 H new ATOM 0 HH22 ARG A 471 58.307 -6.909 -7.491 1.00 1.00 H new ATOM 713 N ARG A 472 55.980 -16.130 -9.995 1.00 1.00 N ATOM 714 CA ARG A 472 56.151 -17.270 -10.890 1.00 1.00 C ATOM 715 C ARG A 472 56.427 -16.797 -12.314 1.00 1.00 C ATOM 716 O ARG A 472 55.905 -15.771 -12.749 1.00 1.00 O ATOM 717 CB ARG A 472 54.894 -18.143 -10.874 1.00 1.00 C ATOM 718 CG ARG A 472 54.723 -18.765 -9.485 1.00 1.00 C ATOM 719 CD ARG A 472 53.468 -19.636 -9.467 1.00 1.00 C ATOM 720 NE ARG A 472 52.277 -18.810 -9.632 1.00 1.00 N ATOM 721 CZ ARG A 472 51.722 -18.190 -8.595 1.00 1.00 C ATOM 722 NH1 ARG A 472 52.242 -18.314 -7.406 1.00 1.00 N ATOM 723 NH2 ARG A 472 50.656 -17.458 -8.768 1.00 1.00 N ATOM 0 H ARG A 472 55.313 -15.431 -10.321 1.00 1.00 H new ATOM 0 HA ARG A 472 57.002 -17.855 -10.542 1.00 1.00 H new ATOM 0 HB2 ARG A 472 54.019 -17.544 -11.126 1.00 1.00 H new ATOM 0 HB3 ARG A 472 54.972 -18.926 -11.628 1.00 1.00 H new ATOM 0 HG2 ARG A 472 55.598 -19.364 -9.233 1.00 1.00 H new ATOM 0 HG3 ARG A 472 54.646 -17.982 -8.731 1.00 1.00 H new ATOM 0 HD2 ARG A 472 53.519 -20.376 -10.265 1.00 1.00 H new ATOM 0 HD3 ARG A 472 53.411 -20.185 -8.527 1.00 1.00 H new ATOM 0 HE ARG A 472 51.863 -18.706 -10.558 1.00 1.00 H new ATOM 0 HH11 ARG A 472 53.075 -18.887 -7.271 1.00 1.00 H new ATOM 0 HH12 ARG A 472 51.816 -17.838 -6.611 1.00 1.00 H new ATOM 0 HH21 ARG A 472 50.249 -17.362 -9.698 1.00 1.00 H new ATOM 0 HH22 ARG A 472 50.230 -16.982 -7.973 1.00 1.00 H new ATOM 737 N LYS A 473 57.252 -17.551 -13.034 1.00 1.00 N ATOM 738 CA LYS A 473 57.591 -17.200 -14.408 1.00 1.00 C ATOM 739 C LYS A 473 58.112 -18.417 -15.164 1.00 1.00 C ATOM 740 O LYS A 473 58.562 -18.247 -16.286 1.00 1.00 O ATOM 741 CB LYS A 473 58.645 -16.087 -14.419 1.00 1.00 C ATOM 742 CG LYS A 473 59.928 -16.579 -13.744 1.00 1.00 C ATOM 743 CD LYS A 473 60.950 -15.441 -13.706 1.00 1.00 C ATOM 744 CE LYS A 473 62.230 -15.930 -13.028 1.00 1.00 C ATOM 745 NZ LYS A 473 63.228 -14.823 -12.993 1.00 1.00 N ATOM 746 OXT LYS A 473 58.051 -19.504 -14.612 1.00 1.00 O ATOM 0 H LYS A 473 57.695 -18.403 -12.691 1.00 1.00 H new ATOM 0 HA LYS A 473 56.688 -16.845 -14.906 1.00 1.00 H new ATOM 0 HB2 LYS A 473 58.856 -15.784 -15.445 1.00 1.00 H new ATOM 0 HB3 LYS A 473 58.264 -15.208 -13.899 1.00 1.00 H new ATOM 0 HG2 LYS A 473 59.711 -16.922 -12.732 1.00 1.00 H new ATOM 0 HG3 LYS A 473 60.335 -17.431 -14.289 1.00 1.00 H new ATOM 0 HD2 LYS A 473 61.169 -15.100 -14.718 1.00 1.00 H new ATOM 0 HD3 LYS A 473 60.541 -14.588 -13.164 1.00 1.00 H new ATOM 0 HE2 LYS A 473 62.011 -16.269 -12.015 1.00 1.00 H new ATOM 0 HE3 LYS A 473 62.637 -16.784 -13.569 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 64.099 -15.155 -12.532 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 63.444 -14.520 -13.964 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 62.838 -14.021 -12.459 1.00 1.00 H new TER 760 LYS A 473