USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=8 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+ 180:sc= 0 (180deg=0) 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 -160:sc= -0.0458 (180deg=-0.506) USER MOD Single : A 453 THR OG1 : rot 91:sc= 0.761 USER MOD Single : A 463 CYS SG : rot -38:sc= -2.39 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 21.462 29.033 10.937 1.00 1.00 N ATOM 2 CA GLY A 430 20.282 28.432 11.623 1.00 1.00 C ATOM 3 C GLY A 430 19.002 28.894 10.934 1.00 1.00 C ATOM 4 O GLY A 430 17.949 28.272 11.076 1.00 1.00 O ATOM 0 HA2 GLY A 430 20.349 27.344 11.598 1.00 1.00 H new ATOM 0 HA3 GLY A 430 20.269 28.727 12.672 1.00 1.00 H new ATOM 10 N LYS A 431 19.100 29.992 10.191 1.00 1.00 N ATOM 11 CA LYS A 431 17.942 30.530 9.485 1.00 1.00 C ATOM 12 C LYS A 431 17.425 29.525 8.462 1.00 1.00 C ATOM 13 O LYS A 431 16.220 29.297 8.354 1.00 1.00 O ATOM 14 CB LYS A 431 18.320 31.835 8.780 1.00 1.00 C ATOM 15 CG LYS A 431 17.075 32.458 8.145 1.00 1.00 C ATOM 16 CD LYS A 431 17.446 33.790 7.489 1.00 1.00 C ATOM 17 CE LYS A 431 16.197 34.418 6.869 1.00 1.00 C ATOM 18 NZ LYS A 431 16.554 35.724 6.248 1.00 1.00 N ATOM 0 H LYS A 431 19.961 30.523 10.063 1.00 1.00 H new ATOM 0 HA LYS A 431 17.154 30.727 10.212 1.00 1.00 H new ATOM 0 HB2 LYS A 431 18.762 32.530 9.494 1.00 1.00 H new ATOM 0 HB3 LYS A 431 19.072 31.642 8.015 1.00 1.00 H new ATOM 0 HG2 LYS A 431 16.655 31.780 7.402 1.00 1.00 H new ATOM 0 HG3 LYS A 431 16.308 32.615 8.903 1.00 1.00 H new ATOM 0 HD2 LYS A 431 17.876 34.465 8.229 1.00 1.00 H new ATOM 0 HD3 LYS A 431 18.205 33.631 6.723 1.00 1.00 H new ATOM 0 HE2 LYS A 431 15.775 33.750 6.118 1.00 1.00 H new ATOM 0 HE3 LYS A 431 15.433 34.563 7.632 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 15.705 36.151 5.826 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 16.937 36.361 6.975 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 17.269 35.573 5.508 1.00 1.00 H new ATOM 32 N ARG A 432 18.344 28.928 7.710 1.00 1.00 N ATOM 33 CA ARG A 432 17.969 27.947 6.698 1.00 1.00 C ATOM 34 C ARG A 432 18.230 26.531 7.199 1.00 1.00 C ATOM 35 O ARG A 432 19.279 26.250 7.778 1.00 1.00 O ATOM 36 CB ARG A 432 18.769 28.190 5.416 1.00 1.00 C ATOM 37 CG ARG A 432 18.392 29.551 4.828 1.00 1.00 C ATOM 38 CD ARG A 432 19.268 29.839 3.607 1.00 1.00 C ATOM 39 NE ARG A 432 18.992 28.875 2.548 1.00 1.00 N ATOM 40 CZ ARG A 432 19.709 28.862 1.428 1.00 1.00 C ATOM 41 NH1 ARG A 432 20.677 29.722 1.265 1.00 1.00 N ATOM 42 NH2 ARG A 432 19.444 27.991 0.494 1.00 1.00 N ATOM 0 H ARG A 432 19.346 29.104 7.781 1.00 1.00 H new ATOM 0 HA ARG A 432 16.904 28.056 6.491 1.00 1.00 H new ATOM 0 HB2 ARG A 432 19.837 28.158 5.630 1.00 1.00 H new ATOM 0 HB3 ARG A 432 18.565 27.401 4.693 1.00 1.00 H new ATOM 0 HG2 ARG A 432 17.340 29.557 4.544 1.00 1.00 H new ATOM 0 HG3 ARG A 432 18.525 30.332 5.577 1.00 1.00 H new ATOM 0 HD2 ARG A 432 19.080 30.850 3.246 1.00 1.00 H new ATOM 0 HD3 ARG A 432 20.320 29.791 3.886 1.00 1.00 H new ATOM 0 HE ARG A 432 18.237 28.200 2.668 1.00 1.00 H new ATOM 0 HH11 ARG A 432 20.883 30.403 1.996 1.00 1.00 H new ATOM 0 HH12 ARG A 432 21.228 29.713 0.407 1.00 1.00 H new ATOM 0 HH21 ARG A 432 18.687 27.320 0.623 1.00 1.00 H new ATOM 0 HH22 ARG A 432 19.994 27.981 -0.365 1.00 1.00 H new ATOM 56 N SER A 433 17.269 25.641 6.968 1.00 1.00 N ATOM 57 CA SER A 433 17.408 24.253 7.399 1.00 1.00 C ATOM 58 C SER A 433 18.416 23.520 6.521 1.00 1.00 C ATOM 59 O SER A 433 18.533 23.800 5.330 1.00 1.00 O ATOM 60 CB SER A 433 16.055 23.545 7.324 1.00 1.00 C ATOM 61 OG SER A 433 15.255 23.944 8.429 1.00 1.00 O ATOM 0 H SER A 433 16.393 25.853 6.489 1.00 1.00 H new ATOM 0 HA SER A 433 17.765 24.245 8.429 1.00 1.00 H new ATOM 0 HB2 SER A 433 15.553 23.793 6.389 1.00 1.00 H new ATOM 0 HB3 SER A 433 16.196 22.464 7.334 1.00 1.00 H new ATOM 0 HG SER A 433 14.386 23.493 8.383 1.00 1.00 H new ATOM 67 N TRP A 434 19.137 22.575 7.122 1.00 1.00 N ATOM 68 CA TRP A 434 20.136 21.798 6.390 1.00 1.00 C ATOM 69 C TRP A 434 21.184 22.717 5.767 1.00 1.00 C ATOM 70 O TRP A 434 20.853 23.668 5.060 1.00 1.00 O ATOM 71 CB TRP A 434 19.457 20.980 5.288 1.00 1.00 C ATOM 72 CG TRP A 434 18.327 20.175 5.856 1.00 1.00 C ATOM 73 CD1 TRP A 434 18.078 19.981 7.176 1.00 1.00 C ATOM 74 CD2 TRP A 434 17.289 19.449 5.136 1.00 1.00 C ATOM 75 NE1 TRP A 434 16.953 19.186 7.305 1.00 1.00 N ATOM 76 CE2 TRP A 434 16.433 18.832 6.076 1.00 1.00 C ATOM 77 CE3 TRP A 434 17.012 19.269 3.769 1.00 1.00 C ATOM 78 CZ2 TRP A 434 15.339 18.062 5.676 1.00 1.00 C ATOM 79 CZ3 TRP A 434 15.912 18.496 3.362 1.00 1.00 C ATOM 80 CH2 TRP A 434 15.078 17.894 4.314 1.00 1.00 C ATOM 0 H TRP A 434 19.049 22.330 8.108 1.00 1.00 H new ATOM 0 HA TRP A 434 20.629 21.127 7.093 1.00 1.00 H new ATOM 0 HB2 TRP A 434 19.083 21.646 4.510 1.00 1.00 H new ATOM 0 HB3 TRP A 434 20.184 20.317 4.818 1.00 1.00 H new ATOM 0 HD1 TRP A 434 18.662 20.381 7.992 1.00 1.00 H new ATOM 0 HE1 TRP A 434 16.556 18.897 8.199 1.00 1.00 H new ATOM 0 HE3 TRP A 434 17.649 19.728 3.027 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 14.700 17.600 6.414 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 15.708 18.365 2.310 1.00 1.00 H new ATOM 0 HH2 TRP A 434 14.234 17.301 3.995 1.00 1.00 H new ATOM 91 N ASP A 435 22.455 22.424 6.031 1.00 1.00 N ATOM 92 CA ASP A 435 23.541 23.231 5.487 1.00 1.00 C ATOM 93 C ASP A 435 23.996 22.675 4.143 1.00 1.00 C ATOM 94 O ASP A 435 24.578 21.592 4.073 1.00 1.00 O ATOM 95 CB ASP A 435 24.720 23.241 6.461 1.00 1.00 C ATOM 96 CG ASP A 435 24.374 24.080 7.687 1.00 1.00 C ATOM 97 OD1 ASP A 435 23.403 24.816 7.623 1.00 1.00 O ATOM 98 OD2 ASP A 435 25.085 23.972 8.673 1.00 1.00 O ATOM 0 H ASP A 435 22.755 21.642 6.612 1.00 1.00 H new ATOM 0 HA ASP A 435 23.178 24.249 5.344 1.00 1.00 H new ATOM 0 HB2 ASP A 435 24.962 22.222 6.763 1.00 1.00 H new ATOM 0 HB3 ASP A 435 25.605 23.646 5.970 1.00 1.00 H new ATOM 103 N THR A 436 23.726 23.423 3.078 1.00 1.00 N ATOM 104 CA THR A 436 24.110 22.997 1.737 1.00 1.00 C ATOM 105 C THR A 436 25.629 22.967 1.595 1.00 1.00 C ATOM 106 O THR A 436 26.177 22.127 0.880 1.00 1.00 O ATOM 107 CB THR A 436 23.518 23.952 0.697 1.00 1.00 C ATOM 108 OG1 THR A 436 23.922 25.282 0.993 1.00 1.00 O ATOM 109 CG2 THR A 436 21.991 23.861 0.730 1.00 1.00 C ATOM 0 H THR A 436 23.246 24.322 3.117 1.00 1.00 H new ATOM 0 HA THR A 436 23.722 21.992 1.572 1.00 1.00 H new ATOM 0 HB THR A 436 23.875 23.676 -0.295 1.00 1.00 H new ATOM 0 HG1 THR A 436 23.545 25.894 0.327 1.00 1.00 H new ATOM 0 HG21 THR A 436 21.570 24.541 -0.010 1.00 1.00 H new ATOM 0 HG22 THR A 436 21.682 22.841 0.503 1.00 1.00 H new ATOM 0 HG23 THR A 436 21.631 24.136 1.721 1.00 1.00 H new ATOM 117 N GLU A 437 26.299 23.890 2.282 1.00 1.00 N ATOM 118 CA GLU A 437 27.756 23.971 2.230 1.00 1.00 C ATOM 119 C GLU A 437 28.350 23.815 3.627 1.00 1.00 C ATOM 120 O GLU A 437 27.816 24.345 4.602 1.00 1.00 O ATOM 121 CB GLU A 437 28.180 25.318 1.636 1.00 1.00 C ATOM 122 CG GLU A 437 29.705 25.367 1.504 1.00 1.00 C ATOM 123 CD GLU A 437 30.129 26.686 0.866 1.00 1.00 C ATOM 124 OE1 GLU A 437 29.271 27.355 0.314 1.00 1.00 O ATOM 125 OE2 GLU A 437 31.303 27.006 0.939 1.00 1.00 O ATOM 0 H GLU A 437 25.858 24.590 2.879 1.00 1.00 H new ATOM 0 HA GLU A 437 28.127 23.163 1.599 1.00 1.00 H new ATOM 0 HB2 GLU A 437 27.716 25.458 0.660 1.00 1.00 H new ATOM 0 HB3 GLU A 437 27.834 26.132 2.273 1.00 1.00 H new ATOM 0 HG2 GLU A 437 30.167 25.263 2.486 1.00 1.00 H new ATOM 0 HG3 GLU A 437 30.053 24.531 0.897 1.00 1.00 H new ATOM 132 N SER A 438 29.456 23.085 3.716 1.00 1.00 N ATOM 133 CA SER A 438 30.114 22.866 4.999 1.00 1.00 C ATOM 134 C SER A 438 31.599 22.577 4.797 1.00 1.00 C ATOM 135 O SER A 438 32.030 22.236 3.695 1.00 1.00 O ATOM 136 CB SER A 438 29.458 21.692 5.728 1.00 1.00 C ATOM 137 OG SER A 438 30.006 20.473 5.244 1.00 1.00 O ATOM 0 H SER A 438 29.913 22.638 2.922 1.00 1.00 H new ATOM 0 HA SER A 438 30.010 23.770 5.599 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.624 21.777 6.802 1.00 1.00 H new ATOM 0 HB3 SER A 438 28.380 21.707 5.570 1.00 1.00 H new ATOM 0 HG SER A 438 29.589 19.719 5.710 1.00 1.00 H new ATOM 143 N VAL A 439 32.375 22.718 5.866 1.00 1.00 N ATOM 144 CA VAL A 439 33.811 22.473 5.797 1.00 1.00 C ATOM 145 C VAL A 439 34.094 21.014 5.453 1.00 1.00 C ATOM 146 O VAL A 439 34.981 20.719 4.651 1.00 1.00 O ATOM 147 CB VAL A 439 34.464 22.821 7.135 1.00 1.00 C ATOM 148 CG1 VAL A 439 33.872 21.941 8.236 1.00 1.00 C ATOM 149 CG2 VAL A 439 35.971 22.578 7.045 1.00 1.00 C ATOM 0 H VAL A 439 32.036 22.999 6.786 1.00 1.00 H new ATOM 0 HA VAL A 439 34.230 23.104 5.013 1.00 1.00 H new ATOM 0 HB VAL A 439 34.277 23.869 7.368 1.00 1.00 H new ATOM 0 HG11 VAL A 439 34.338 22.189 9.190 1.00 1.00 H new ATOM 0 HG12 VAL A 439 32.798 22.113 8.301 1.00 1.00 H new ATOM 0 HG13 VAL A 439 34.058 20.893 8.003 1.00 1.00 H new ATOM 0 HG21 VAL A 439 36.437 22.826 7.999 1.00 1.00 H new ATOM 0 HG22 VAL A 439 36.157 21.530 6.812 1.00 1.00 H new ATOM 0 HG23 VAL A 439 36.394 23.205 6.260 1.00 1.00 H new ATOM 159 N LEU A 440 33.339 20.106 6.070 1.00 1.00 N ATOM 160 CA LEU A 440 33.520 18.678 5.828 1.00 1.00 C ATOM 161 C LEU A 440 32.184 18.006 5.502 1.00 1.00 C ATOM 162 O LEU A 440 31.578 17.367 6.360 1.00 1.00 O ATOM 163 CB LEU A 440 34.134 18.018 7.064 1.00 1.00 C ATOM 164 CG LEU A 440 34.668 16.633 6.695 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.185 16.700 6.522 1.00 1.00 C ATOM 166 CD2 LEU A 440 34.331 15.644 7.812 1.00 1.00 C ATOM 0 H LEU A 440 32.601 20.333 6.737 1.00 1.00 H new ATOM 0 HA LEU A 440 34.188 18.557 4.975 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.941 18.637 7.456 1.00 1.00 H new ATOM 0 HB3 LEU A 440 33.386 17.932 7.852 1.00 1.00 H new ATOM 0 HG LEU A 440 34.208 16.304 5.763 1.00 1.00 H new ATOM 0 HD11 LEU A 440 36.565 15.713 6.259 1.00 1.00 H new ATOM 0 HD12 LEU A 440 36.430 17.406 5.729 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.643 17.029 7.455 1.00 1.00 H new ATOM 0 HD21 LEU A 440 34.711 14.656 7.550 1.00 1.00 H new ATOM 0 HD22 LEU A 440 34.792 15.975 8.743 1.00 1.00 H new ATOM 0 HD23 LEU A 440 33.250 15.594 7.940 1.00 1.00 H new ATOM 178 N PRO A 441 31.721 18.139 4.286 1.00 1.00 N ATOM 179 CA PRO A 441 30.431 17.527 3.848 1.00 1.00 C ATOM 180 C PRO A 441 30.455 15.999 3.967 1.00 1.00 C ATOM 181 O PRO A 441 31.496 15.363 3.809 1.00 1.00 O ATOM 182 CB PRO A 441 30.276 17.964 2.386 1.00 1.00 C ATOM 183 CG PRO A 441 31.243 19.085 2.186 1.00 1.00 C ATOM 184 CD PRO A 441 32.366 18.888 3.204 1.00 1.00 C ATOM 0 HA PRO A 441 29.598 17.851 4.472 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.490 17.138 1.707 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.256 18.288 2.182 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.637 19.079 1.170 1.00 1.00 H new ATOM 0 HG3 PRO A 441 30.754 20.048 2.332 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.202 18.335 2.777 1.00 1.00 H new ATOM 0 HD3 PRO A 441 32.760 19.841 3.556 1.00 1.00 H new ATOM 192 N MET A 442 29.300 15.419 4.277 1.00 1.00 N ATOM 193 CA MET A 442 29.192 13.974 4.444 1.00 1.00 C ATOM 194 C MET A 442 29.425 13.229 3.120 1.00 1.00 C ATOM 195 O MET A 442 29.997 12.136 3.108 1.00 1.00 O ATOM 196 CB MET A 442 27.809 13.628 5.000 1.00 1.00 C ATOM 197 CG MET A 442 27.673 14.181 6.423 1.00 1.00 C ATOM 198 SD MET A 442 26.060 13.720 7.110 1.00 1.00 S ATOM 199 CE MET A 442 25.032 14.855 6.138 1.00 1.00 C ATOM 0 H MET A 442 28.427 15.927 4.418 1.00 1.00 H new ATOM 0 HA MET A 442 29.965 13.655 5.143 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.033 14.048 4.360 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.668 12.547 5.004 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.472 13.790 7.053 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.777 15.266 6.413 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.072 14.994 6.636 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.537 15.817 6.049 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.868 14.437 5.145 1.00 1.00 H new ATOM 209 N TRP A 443 28.954 13.813 2.003 1.00 1.00 N ATOM 210 CA TRP A 443 29.105 13.164 0.691 1.00 1.00 C ATOM 211 C TRP A 443 30.583 12.994 0.275 1.00 1.00 C ATOM 212 O TRP A 443 30.935 11.984 -0.343 1.00 1.00 O ATOM 213 CB TRP A 443 28.307 13.949 -0.374 1.00 1.00 C ATOM 214 CG TRP A 443 28.745 15.383 -0.447 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.218 16.398 0.277 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.741 15.982 -1.332 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.861 17.577 -0.070 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.803 17.372 -1.065 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.597 15.456 -2.320 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.682 18.213 -1.754 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.480 16.299 -3.021 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.522 17.675 -2.737 1.00 1.00 C ATOM 0 H TRP A 443 28.476 14.714 1.982 1.00 1.00 H new ATOM 0 HA TRP A 443 28.699 12.156 0.771 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.438 13.478 -1.348 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.244 13.904 -0.139 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.426 16.305 1.006 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.665 18.483 0.355 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.576 14.399 -2.541 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.713 19.269 -1.530 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.128 15.887 -3.780 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.202 18.317 -3.277 1.00 1.00 H new ATOM 233 N VAL A 444 31.457 13.964 0.602 1.00 1.00 N ATOM 234 CA VAL A 444 32.873 13.820 0.216 1.00 1.00 C ATOM 235 C VAL A 444 33.508 12.637 0.947 1.00 1.00 C ATOM 236 O VAL A 444 34.318 11.905 0.375 1.00 1.00 O ATOM 237 CB VAL A 444 33.689 15.103 0.477 1.00 1.00 C ATOM 238 CG1 VAL A 444 33.234 16.205 -0.475 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.486 15.590 1.910 1.00 1.00 C ATOM 0 H VAL A 444 31.224 14.818 1.109 1.00 1.00 H new ATOM 0 HA VAL A 444 32.892 13.636 -0.858 1.00 1.00 H new ATOM 0 HB VAL A 444 34.742 14.873 0.318 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.813 17.110 -0.288 1.00 1.00 H new ATOM 0 HG12 VAL A 444 33.388 15.883 -1.505 1.00 1.00 H new ATOM 0 HG13 VAL A 444 32.176 16.411 -0.314 1.00 1.00 H new ATOM 0 HG21 VAL A 444 34.070 16.496 2.073 1.00 1.00 H new ATOM 0 HG22 VAL A 444 32.430 15.805 2.075 1.00 1.00 H new ATOM 0 HG23 VAL A 444 33.812 14.818 2.606 1.00 1.00 H new ATOM 249 N LEU A 445 33.136 12.461 2.215 1.00 1.00 N ATOM 250 CA LEU A 445 33.672 11.374 3.025 1.00 1.00 C ATOM 251 C LEU A 445 33.285 10.024 2.432 1.00 1.00 C ATOM 252 O LEU A 445 34.088 9.088 2.373 1.00 1.00 O ATOM 253 CB LEU A 445 33.135 11.488 4.460 1.00 1.00 C ATOM 254 CG LEU A 445 33.667 10.341 5.330 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.197 10.355 5.339 1.00 1.00 C ATOM 256 CD2 LEU A 445 33.147 10.516 6.760 1.00 1.00 C ATOM 0 H LEU A 445 32.466 13.058 2.700 1.00 1.00 H new ATOM 0 HA LEU A 445 34.759 11.448 3.037 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.431 12.445 4.890 1.00 1.00 H new ATOM 0 HB3 LEU A 445 32.045 11.467 4.449 1.00 1.00 H new ATOM 0 HG LEU A 445 33.324 9.390 4.923 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.565 9.537 5.959 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.568 10.234 4.321 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.550 11.304 5.743 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.521 9.705 7.385 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.493 11.470 7.159 1.00 1.00 H new ATOM 0 HD23 LEU A 445 32.057 10.498 6.756 1.00 1.00 H new ATOM 268 N ALA A 446 32.024 9.939 2.009 1.00 1.00 N ATOM 269 CA ALA A 446 31.487 8.706 1.438 1.00 1.00 C ATOM 270 C ALA A 446 32.232 8.287 0.171 1.00 1.00 C ATOM 271 O ALA A 446 32.511 7.107 -0.043 1.00 1.00 O ATOM 272 CB ALA A 446 30.004 8.901 1.109 1.00 1.00 C ATOM 0 H ALA A 446 31.356 10.709 2.051 1.00 1.00 H new ATOM 0 HA ALA A 446 31.615 7.916 2.178 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.602 7.982 0.683 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.459 9.148 2.020 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.895 9.713 0.390 1.00 1.00 H new ATOM 278 N LEU A 447 32.530 9.280 -0.671 1.00 1.00 N ATOM 279 CA LEU A 447 33.215 9.039 -1.941 1.00 1.00 C ATOM 280 C LEU A 447 34.600 8.443 -1.712 1.00 1.00 C ATOM 281 O LEU A 447 35.029 7.545 -2.439 1.00 1.00 O ATOM 282 CB LEU A 447 33.342 10.352 -2.720 1.00 1.00 C ATOM 283 CG LEU A 447 31.961 10.807 -3.207 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.067 12.214 -3.800 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.433 9.845 -4.281 1.00 1.00 C ATOM 0 H LEU A 447 32.307 10.259 -0.495 1.00 1.00 H new ATOM 0 HA LEU A 447 32.625 8.326 -2.517 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.784 11.120 -2.085 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.011 10.217 -3.570 1.00 1.00 H new ATOM 0 HG LEU A 447 31.273 10.811 -2.362 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.086 12.538 -4.146 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.429 12.904 -3.038 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.763 12.204 -4.639 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.452 10.179 -4.618 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.121 9.830 -5.126 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.350 8.842 -3.862 1.00 1.00 H new ATOM 297 N ILE A 448 35.293 8.954 -0.701 1.00 1.00 N ATOM 298 CA ILE A 448 36.641 8.483 -0.381 1.00 1.00 C ATOM 299 C ILE A 448 36.617 7.007 -0.002 1.00 1.00 C ATOM 300 O ILE A 448 37.505 6.241 -0.381 1.00 1.00 O ATOM 301 CB ILE A 448 37.209 9.300 0.781 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.461 10.740 0.318 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.523 8.674 1.252 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.758 11.619 1.534 1.00 1.00 C ATOM 0 H ILE A 448 34.947 9.693 -0.088 1.00 1.00 H new ATOM 0 HA ILE A 448 37.272 8.608 -1.261 1.00 1.00 H new ATOM 0 HB ILE A 448 36.496 9.305 1.605 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.299 10.769 -0.379 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.590 11.120 -0.215 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.927 9.256 2.080 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.341 7.651 1.583 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.238 8.668 0.430 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.938 12.643 1.207 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.906 11.599 2.214 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.642 11.242 2.048 1.00 1.00 H new ATOM 316 N VAL A 449 35.615 6.628 0.785 1.00 1.00 N ATOM 317 CA VAL A 449 35.500 5.247 1.248 1.00 1.00 C ATOM 318 C VAL A 449 35.339 4.288 0.067 1.00 1.00 C ATOM 319 O VAL A 449 35.979 3.242 0.029 1.00 1.00 O ATOM 320 CB VAL A 449 34.311 5.105 2.200 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.077 3.626 2.511 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.598 5.861 3.501 1.00 1.00 C ATOM 0 H VAL A 449 34.877 7.250 1.114 1.00 1.00 H new ATOM 0 HA VAL A 449 36.416 4.990 1.780 1.00 1.00 H new ATOM 0 HB VAL A 449 33.421 5.522 1.728 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.230 3.526 3.189 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.867 3.089 1.586 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.968 3.207 2.979 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.749 5.758 4.177 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.490 5.448 3.973 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.760 6.916 3.281 1.00 1.00 H new ATOM 332 N ILE A 450 34.494 4.636 -0.902 1.00 1.00 N ATOM 333 CA ILE A 450 34.288 3.770 -2.062 1.00 1.00 C ATOM 334 C ILE A 450 35.582 3.612 -2.868 1.00 1.00 C ATOM 335 O ILE A 450 35.915 2.505 -3.289 1.00 1.00 O ATOM 336 CB ILE A 450 33.191 4.333 -2.979 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.904 4.574 -2.173 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.913 3.355 -4.128 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.446 3.289 -1.476 1.00 1.00 C ATOM 0 H ILE A 450 33.948 5.498 -0.909 1.00 1.00 H new ATOM 0 HA ILE A 450 33.979 2.795 -1.687 1.00 1.00 H new ATOM 0 HB ILE A 450 33.532 5.281 -3.395 1.00 1.00 H new ATOM 0 HG12 ILE A 450 32.076 5.354 -1.431 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.117 4.933 -2.836 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.134 3.763 -4.772 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.824 3.207 -4.708 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.583 2.399 -3.721 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.534 3.486 -0.913 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.252 2.519 -2.223 1.00 1.00 H new ATOM 0 HD13 ILE A 450 32.226 2.946 -0.796 1.00 1.00 H new ATOM 351 N PHE A 451 36.304 4.714 -3.087 1.00 1.00 N ATOM 352 CA PHE A 451 37.541 4.607 -3.861 1.00 1.00 C ATOM 353 C PHE A 451 38.509 3.642 -3.180 1.00 1.00 C ATOM 354 O PHE A 451 39.079 2.762 -3.825 1.00 1.00 O ATOM 355 CB PHE A 451 38.219 5.974 -4.034 1.00 1.00 C ATOM 356 CG PHE A 451 37.437 6.832 -5.007 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.323 6.440 -6.348 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.826 8.015 -4.572 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.601 7.227 -7.249 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.102 8.803 -5.476 1.00 1.00 C ATOM 361 CZ PHE A 451 35.988 8.409 -6.814 1.00 1.00 C ATOM 0 H PHE A 451 36.068 5.650 -2.756 1.00 1.00 H new ATOM 0 HA PHE A 451 37.278 4.228 -4.848 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.288 6.477 -3.070 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.238 5.838 -4.397 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.794 5.528 -6.685 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.913 8.320 -3.540 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.515 6.924 -8.282 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.631 9.715 -5.140 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.428 9.016 -7.510 1.00 1.00 H new ATOM 371 N LEU A 452 38.674 3.798 -1.870 1.00 1.00 N ATOM 372 CA LEU A 452 39.552 2.930 -1.089 1.00 1.00 C ATOM 373 C LEU A 452 39.018 1.498 -1.070 1.00 1.00 C ATOM 374 O LEU A 452 39.787 0.537 -1.161 1.00 1.00 O ATOM 375 CB LEU A 452 39.655 3.466 0.346 1.00 1.00 C ATOM 376 CG LEU A 452 40.562 2.563 1.197 1.00 1.00 C ATOM 377 CD1 LEU A 452 41.952 2.466 0.564 1.00 1.00 C ATOM 378 CD2 LEU A 452 40.689 3.159 2.599 1.00 1.00 C ATOM 0 H LEU A 452 38.208 4.522 -1.323 1.00 1.00 H new ATOM 0 HA LEU A 452 40.540 2.923 -1.550 1.00 1.00 H new ATOM 0 HB2 LEU A 452 40.052 4.481 0.333 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.662 3.518 0.793 1.00 1.00 H new ATOM 0 HG LEU A 452 40.124 1.566 1.252 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.586 1.824 1.175 1.00 1.00 H new ATOM 0 HD12 LEU A 452 41.867 2.045 -0.438 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.394 3.460 0.503 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.331 2.523 3.208 1.00 1.00 H new ATOM 0 HD22 LEU A 452 41.124 4.156 2.532 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.702 3.223 3.058 1.00 1.00 H new ATOM 390 N THR A 453 37.700 1.365 -0.940 1.00 1.00 N ATOM 391 CA THR A 453 37.090 0.040 -0.894 1.00 1.00 C ATOM 392 C THR A 453 37.334 -0.720 -2.193 1.00 1.00 C ATOM 393 O THR A 453 37.703 -1.896 -2.176 1.00 1.00 O ATOM 394 CB THR A 453 35.584 0.165 -0.647 1.00 1.00 C ATOM 395 OG1 THR A 453 35.357 1.011 0.472 1.00 1.00 O ATOM 396 CG2 THR A 453 34.989 -1.215 -0.370 1.00 1.00 C ATOM 0 H THR A 453 37.045 2.143 -0.866 1.00 1.00 H new ATOM 0 HA THR A 453 37.549 -0.516 -0.076 1.00 1.00 H new ATOM 0 HB THR A 453 35.109 0.591 -1.531 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.254 1.936 0.167 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.917 -1.121 -0.195 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.161 -1.864 -1.229 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.464 -1.646 0.511 1.00 1.00 H new ATOM 404 N ILE A 454 37.130 -0.040 -3.316 1.00 1.00 N ATOM 405 CA ILE A 454 37.327 -0.647 -4.628 1.00 1.00 C ATOM 406 C ILE A 454 38.793 -1.020 -4.847 1.00 1.00 C ATOM 407 O ILE A 454 39.109 -2.088 -5.372 1.00 1.00 O ATOM 408 CB ILE A 454 36.877 0.329 -5.718 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.356 0.506 -5.645 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.259 -0.226 -7.091 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.934 1.679 -6.531 1.00 1.00 C ATOM 0 H ILE A 454 36.828 0.934 -3.344 1.00 1.00 H new ATOM 0 HA ILE A 454 36.731 -1.558 -4.677 1.00 1.00 H new ATOM 0 HB ILE A 454 37.365 1.292 -5.568 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.857 -0.407 -5.971 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.050 0.686 -4.615 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.938 0.469 -7.867 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.340 -0.355 -7.143 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.771 -1.189 -7.243 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.852 1.804 -6.478 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.422 2.590 -6.185 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.227 1.480 -7.562 1.00 1.00 H new ATOM 423 N ALA A 455 39.672 -0.100 -4.460 1.00 1.00 N ATOM 424 CA ALA A 455 41.105 -0.311 -4.643 1.00 1.00 C ATOM 425 C ALA A 455 41.598 -1.528 -3.866 1.00 1.00 C ATOM 426 O ALA A 455 42.387 -2.321 -4.382 1.00 1.00 O ATOM 427 CB ALA A 455 41.874 0.931 -4.183 1.00 1.00 C ATOM 0 H ALA A 455 39.422 0.787 -4.023 1.00 1.00 H new ATOM 0 HA ALA A 455 41.282 -0.490 -5.703 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.943 0.769 -4.321 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.558 1.793 -4.771 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.669 1.116 -3.129 1.00 1.00 H new ATOM 433 N VAL A 456 41.135 -1.676 -2.631 1.00 1.00 N ATOM 434 CA VAL A 456 41.544 -2.803 -1.801 1.00 1.00 C ATOM 435 C VAL A 456 41.062 -4.129 -2.383 1.00 1.00 C ATOM 436 O VAL A 456 41.826 -5.093 -2.444 1.00 1.00 O ATOM 437 CB VAL A 456 40.984 -2.635 -0.388 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.242 -3.909 0.418 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.673 -1.452 0.296 1.00 1.00 C ATOM 0 H VAL A 456 40.480 -1.034 -2.184 1.00 1.00 H new ATOM 0 HA VAL A 456 42.633 -2.819 -1.771 1.00 1.00 H new ATOM 0 HB VAL A 456 39.911 -2.450 -0.442 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.843 -3.789 1.425 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.752 -4.753 -0.068 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.315 -4.094 0.472 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.274 -1.332 1.303 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.746 -1.637 0.350 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.490 -0.543 -0.278 1.00 1.00 H new ATOM 449 N LEU A 457 39.804 -4.187 -2.808 1.00 1.00 N ATOM 450 CA LEU A 457 39.271 -5.423 -3.372 1.00 1.00 C ATOM 451 C LEU A 457 40.012 -5.802 -4.651 1.00 1.00 C ATOM 452 O LEU A 457 40.355 -6.965 -4.865 1.00 1.00 O ATOM 453 CB LEU A 457 37.780 -5.256 -3.677 1.00 1.00 C ATOM 454 CG LEU A 457 36.992 -5.155 -2.367 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.545 -4.765 -2.672 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.010 -6.500 -1.626 1.00 1.00 C ATOM 0 H LEU A 457 39.145 -3.409 -2.774 1.00 1.00 H new ATOM 0 HA LEU A 457 39.409 -6.219 -2.640 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.620 -4.361 -4.278 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.422 -6.102 -4.263 1.00 1.00 H new ATOM 0 HG LEU A 457 37.456 -4.397 -1.736 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.984 -4.693 -1.741 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.528 -3.802 -3.182 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.091 -5.522 -3.311 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.446 -6.411 -0.698 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.557 -7.267 -2.254 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.040 -6.777 -1.400 1.00 1.00 H new ATOM 468 N LEU A 458 40.254 -4.802 -5.495 1.00 1.00 N ATOM 469 CA LEU A 458 40.958 -5.016 -6.755 1.00 1.00 C ATOM 470 C LEU A 458 42.395 -5.470 -6.522 1.00 1.00 C ATOM 471 O LEU A 458 42.902 -6.336 -7.234 1.00 1.00 O ATOM 472 CB LEU A 458 40.960 -3.729 -7.584 1.00 1.00 C ATOM 473 CG LEU A 458 39.543 -3.433 -8.090 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.511 -2.040 -8.718 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.121 -4.472 -9.138 1.00 1.00 C ATOM 0 H LEU A 458 39.973 -3.836 -5.329 1.00 1.00 H new ATOM 0 HA LEU A 458 40.432 -5.802 -7.296 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.321 -2.897 -6.979 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.643 -3.830 -8.427 1.00 1.00 H new ATOM 0 HG LEU A 458 38.851 -3.479 -7.249 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.505 -1.827 -9.079 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.794 -1.298 -7.972 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.211 -2.001 -9.552 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.113 -4.248 -9.487 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.812 -4.441 -9.980 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.138 -5.466 -8.692 1.00 1.00 H new ATOM 487 N ALA A 459 43.060 -4.861 -5.544 1.00 1.00 N ATOM 488 CA ALA A 459 44.450 -5.193 -5.259 1.00 1.00 C ATOM 489 C ALA A 459 44.607 -6.653 -4.851 1.00 1.00 C ATOM 490 O ALA A 459 45.547 -7.332 -5.263 1.00 1.00 O ATOM 491 CB ALA A 459 44.977 -4.294 -4.139 1.00 1.00 C ATOM 0 H ALA A 459 42.662 -4.141 -4.941 1.00 1.00 H new ATOM 0 HA ALA A 459 45.024 -5.031 -6.171 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.017 -4.546 -3.929 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.912 -3.251 -4.448 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.379 -4.444 -3.240 1.00 1.00 H new ATOM 497 N LEU A 460 43.689 -7.117 -4.011 1.00 1.00 N ATOM 498 CA LEU A 460 43.761 -8.489 -3.530 1.00 1.00 C ATOM 499 C LEU A 460 43.641 -9.480 -4.684 1.00 1.00 C ATOM 500 O LEU A 460 44.399 -10.445 -4.758 1.00 1.00 O ATOM 501 CB LEU A 460 42.640 -8.746 -2.520 1.00 1.00 C ATOM 502 CG LEU A 460 42.911 -7.956 -1.234 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.685 -8.033 -0.323 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.128 -8.536 -0.498 1.00 1.00 C ATOM 0 H LEU A 460 42.901 -6.575 -3.655 1.00 1.00 H new ATOM 0 HA LEU A 460 44.729 -8.630 -3.050 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.680 -8.450 -2.944 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.575 -9.811 -2.297 1.00 1.00 H new ATOM 0 HG LEU A 460 43.116 -6.917 -1.494 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.876 -7.472 0.592 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.823 -7.608 -0.837 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.481 -9.075 -0.074 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.308 -7.965 0.413 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.935 -9.578 -0.241 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.005 -8.477 -1.143 1.00 1.00 H new ATOM 516 N ARG A 461 42.703 -9.238 -5.593 1.00 1.00 N ATOM 517 CA ARG A 461 42.528 -10.125 -6.740 1.00 1.00 C ATOM 518 C ARG A 461 43.776 -10.073 -7.627 1.00 1.00 C ATOM 519 O ARG A 461 44.316 -11.102 -8.036 1.00 1.00 O ATOM 520 CB ARG A 461 41.293 -9.671 -7.537 1.00 1.00 C ATOM 521 CG ARG A 461 40.585 -10.858 -8.219 1.00 1.00 C ATOM 522 CD ARG A 461 41.413 -11.379 -9.395 1.00 1.00 C ATOM 523 NE ARG A 461 40.705 -12.468 -10.063 1.00 1.00 N ATOM 524 CZ ARG A 461 40.951 -13.746 -9.772 1.00 1.00 C ATOM 525 NH1 ARG A 461 41.811 -14.062 -8.841 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.317 -14.689 -10.415 1.00 1.00 N ATOM 0 H ARG A 461 42.060 -8.447 -5.561 1.00 1.00 H new ATOM 0 HA ARG A 461 42.384 -11.150 -6.399 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.595 -9.166 -6.869 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.594 -8.945 -8.292 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.428 -11.658 -7.496 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.601 -10.548 -8.570 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.604 -10.571 -10.102 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.383 -11.728 -9.041 1.00 1.00 H new ATOM 0 HE ARG A 461 40.004 -12.245 -10.770 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.301 -13.328 -8.329 1.00 1.00 H new ATOM 0 HH12 ARG A 461 41.992 -15.042 -8.626 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.637 -14.447 -11.136 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.501 -15.668 -10.196 1.00 1.00 H new ATOM 540 N PHE A 462 44.234 -8.853 -7.900 1.00 1.00 N ATOM 541 CA PHE A 462 45.414 -8.619 -8.725 1.00 1.00 C ATOM 542 C PHE A 462 46.653 -9.233 -8.099 1.00 1.00 C ATOM 543 O PHE A 462 47.428 -9.896 -8.775 1.00 1.00 O ATOM 544 CB PHE A 462 45.630 -7.116 -8.910 1.00 1.00 C ATOM 545 CG PHE A 462 46.848 -6.883 -9.772 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.786 -7.123 -11.150 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.039 -6.429 -9.192 1.00 1.00 C ATOM 548 CE1 PHE A 462 47.915 -6.907 -11.949 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.168 -6.214 -9.991 1.00 1.00 C ATOM 550 CZ PHE A 462 49.106 -6.452 -11.370 1.00 1.00 C ATOM 0 H PHE A 462 43.796 -7.999 -7.554 1.00 1.00 H new ATOM 0 HA PHE A 462 45.246 -9.091 -9.693 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.752 -6.666 -9.374 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.760 -6.635 -7.941 1.00 1.00 H new ATOM 0 HD1 PHE A 462 45.868 -7.475 -11.596 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.086 -6.245 -8.129 1.00 1.00 H new ATOM 0 HE1 PHE A 462 47.867 -7.091 -13.012 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.087 -5.865 -9.544 1.00 1.00 H new ATOM 0 HZ PHE A 462 49.977 -6.285 -11.987 1.00 1.00 H new ATOM 560 N CYS A 463 46.829 -9.023 -6.804 1.00 1.00 N ATOM 561 CA CYS A 463 47.965 -9.571 -6.085 1.00 1.00 C ATOM 562 C CYS A 463 47.715 -11.032 -5.745 1.00 1.00 C ATOM 563 O CYS A 463 48.644 -11.781 -5.445 1.00 1.00 O ATOM 564 CB CYS A 463 48.200 -8.765 -4.809 1.00 1.00 C ATOM 565 SG CYS A 463 47.263 -9.505 -3.454 1.00 1.00 S ATOM 0 H CYS A 463 46.193 -8.472 -6.227 1.00 1.00 H new ATOM 0 HA CYS A 463 48.852 -9.509 -6.716 1.00 1.00 H new ATOM 0 HB2 CYS A 463 49.262 -8.749 -4.566 1.00 1.00 H new ATOM 0 HB3 CYS A 463 47.892 -7.730 -4.957 1.00 1.00 H new ATOM 0 HG CYS A 463 46.115 -9.923 -3.898 1.00 1.00 H new ATOM 571 N GLY A 464 46.445 -11.426 -5.789 1.00 1.00 N ATOM 572 CA GLY A 464 46.084 -12.800 -5.472 1.00 1.00 C ATOM 573 C GLY A 464 46.713 -13.777 -6.458 1.00 1.00 C ATOM 574 O GLY A 464 47.279 -14.793 -6.056 1.00 1.00 O ATOM 0 H GLY A 464 45.661 -10.822 -6.037 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.410 -13.040 -4.460 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.999 -12.907 -5.491 1.00 1.00 H new ATOM 578 N ILE A 465 46.619 -13.471 -7.748 1.00 1.00 N ATOM 579 CA ILE A 465 47.193 -14.346 -8.767 1.00 1.00 C ATOM 580 C ILE A 465 48.720 -14.364 -8.659 1.00 1.00 C ATOM 581 O ILE A 465 49.346 -15.411 -8.822 1.00 1.00 O ATOM 582 CB ILE A 465 46.773 -13.893 -10.172 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.154 -14.968 -11.195 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.482 -12.590 -10.530 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.493 -14.651 -12.537 1.00 1.00 C ATOM 0 H ILE A 465 46.158 -12.636 -8.110 1.00 1.00 H new ATOM 0 HA ILE A 465 46.815 -15.354 -8.599 1.00 1.00 H new ATOM 0 HB ILE A 465 45.694 -13.737 -10.186 1.00 1.00 H new ATOM 0 HG12 ILE A 465 48.237 -15.007 -11.311 1.00 1.00 H new ATOM 0 HG13 ILE A 465 46.835 -15.949 -10.843 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.180 -12.274 -11.528 1.00 1.00 H new ATOM 0 HG22 ILE A 465 47.213 -11.819 -9.808 1.00 1.00 H new ATOM 0 HG23 ILE A 465 48.561 -12.745 -10.510 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.764 -15.415 -13.265 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.410 -14.634 -12.414 1.00 1.00 H new ATOM 0 HD13 ILE A 465 46.834 -13.677 -12.889 1.00 1.00 H new ATOM 597 N TYR A 466 49.316 -13.204 -8.388 1.00 1.00 N ATOM 598 CA TYR A 466 50.772 -13.136 -8.274 1.00 1.00 C ATOM 599 C TYR A 466 51.264 -13.771 -6.969 1.00 1.00 C ATOM 600 O TYR A 466 52.423 -14.171 -6.867 1.00 1.00 O ATOM 601 CB TYR A 466 51.260 -11.686 -8.373 1.00 1.00 C ATOM 602 CG TYR A 466 51.234 -11.244 -9.818 1.00 1.00 C ATOM 603 CD1 TYR A 466 52.138 -11.799 -10.732 1.00 1.00 C ATOM 604 CD2 TYR A 466 50.305 -10.291 -10.247 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.115 -11.397 -12.073 1.00 1.00 C ATOM 606 CE2 TYR A 466 50.280 -9.888 -11.587 1.00 1.00 C ATOM 607 CZ TYR A 466 51.186 -10.442 -12.500 1.00 1.00 C ATOM 608 OH TYR A 466 51.162 -10.045 -13.822 1.00 1.00 O ATOM 0 H TYR A 466 48.829 -12.319 -8.246 1.00 1.00 H new ATOM 0 HA TYR A 466 51.190 -13.704 -9.105 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.626 -11.035 -7.771 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.271 -11.603 -7.974 1.00 1.00 H new ATOM 0 HD1 TYR A 466 52.854 -12.538 -10.402 1.00 1.00 H new ATOM 0 HD2 TYR A 466 49.605 -9.865 -9.543 1.00 1.00 H new ATOM 0 HE1 TYR A 466 52.814 -11.824 -12.777 1.00 1.00 H new ATOM 0 HE2 TYR A 466 49.563 -9.151 -11.917 1.00 1.00 H new ATOM 0 HH TYR A 466 50.457 -9.377 -13.950 1.00 1.00 H new ATOM 618 N GLY A 467 50.373 -13.882 -5.983 1.00 1.00 N ATOM 619 CA GLY A 467 50.740 -14.499 -4.706 1.00 1.00 C ATOM 620 C GLY A 467 51.437 -13.517 -3.765 1.00 1.00 C ATOM 621 O GLY A 467 52.195 -13.926 -2.886 1.00 1.00 O ATOM 0 H GLY A 467 49.407 -13.559 -6.040 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.844 -14.888 -4.222 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.397 -15.349 -4.891 1.00 1.00 H new ATOM 625 N TYR A 468 51.180 -12.228 -3.950 1.00 1.00 N ATOM 626 CA TYR A 468 51.795 -11.205 -3.106 1.00 1.00 C ATOM 627 C TYR A 468 50.821 -10.711 -2.040 1.00 1.00 C ATOM 628 O TYR A 468 51.090 -9.728 -1.350 1.00 1.00 O ATOM 629 CB TYR A 468 52.267 -10.035 -3.967 1.00 1.00 C ATOM 630 CG TYR A 468 53.601 -10.382 -4.584 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.687 -11.422 -5.513 1.00 1.00 C ATOM 632 CD2 TYR A 468 54.752 -9.674 -4.216 1.00 1.00 C ATOM 633 CE1 TYR A 468 54.924 -11.755 -6.081 1.00 1.00 C ATOM 634 CE2 TYR A 468 55.988 -10.005 -4.783 1.00 1.00 C ATOM 635 CZ TYR A 468 56.074 -11.045 -5.716 1.00 1.00 C ATOM 636 OH TYR A 468 57.292 -11.372 -6.276 1.00 1.00 O ATOM 0 H TYR A 468 50.555 -11.866 -4.670 1.00 1.00 H new ATOM 0 HA TYR A 468 52.652 -11.650 -2.600 1.00 1.00 H new ATOM 0 HB2 TYR A 468 51.536 -9.823 -4.747 1.00 1.00 H new ATOM 0 HB3 TYR A 468 52.356 -9.134 -3.360 1.00 1.00 H new ATOM 0 HD1 TYR A 468 52.799 -11.970 -5.794 1.00 1.00 H new ATOM 0 HD2 TYR A 468 54.686 -8.873 -3.495 1.00 1.00 H new ATOM 0 HE1 TYR A 468 54.990 -12.559 -6.800 1.00 1.00 H new ATOM 0 HE2 TYR A 468 56.875 -9.458 -4.501 1.00 1.00 H new ATOM 0 HH TYR A 468 57.987 -10.782 -5.916 1.00 1.00 H new ATOM 646 N ARG A 469 49.692 -11.399 -1.908 1.00 1.00 N ATOM 647 CA ARG A 469 48.691 -11.017 -0.918 1.00 1.00 C ATOM 648 C ARG A 469 49.255 -11.145 0.495 1.00 1.00 C ATOM 649 O ARG A 469 48.967 -10.319 1.361 1.00 1.00 O ATOM 650 CB ARG A 469 47.435 -11.889 -1.074 1.00 1.00 C ATOM 651 CG ARG A 469 47.759 -13.355 -0.763 1.00 1.00 C ATOM 652 CD ARG A 469 46.497 -14.200 -0.944 1.00 1.00 C ATOM 653 NE ARG A 469 46.783 -15.602 -0.655 1.00 1.00 N ATOM 654 CZ ARG A 469 46.688 -16.086 0.579 1.00 1.00 C ATOM 655 NH1 ARG A 469 46.348 -15.302 1.567 1.00 1.00 N ATOM 656 NH2 ARG A 469 46.940 -17.346 0.804 1.00 1.00 N ATOM 0 H ARG A 469 49.448 -12.216 -2.468 1.00 1.00 H new ATOM 0 HA ARG A 469 48.419 -9.975 -1.084 1.00 1.00 H new ATOM 0 HB2 ARG A 469 46.652 -11.533 -0.404 1.00 1.00 H new ATOM 0 HB3 ARG A 469 47.049 -11.803 -2.090 1.00 1.00 H new ATOM 0 HG2 ARG A 469 48.548 -13.713 -1.424 1.00 1.00 H new ATOM 0 HG3 ARG A 469 48.130 -13.449 0.257 1.00 1.00 H new ATOM 0 HD2 ARG A 469 45.710 -13.838 -0.282 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.127 -14.100 -1.964 1.00 1.00 H new ATOM 0 HE ARG A 469 47.061 -16.222 -1.415 1.00 1.00 H new ATOM 0 HH11 ARG A 469 46.155 -14.316 1.392 1.00 1.00 H new ATOM 0 HH12 ARG A 469 46.276 -15.676 2.513 1.00 1.00 H new ATOM 0 HH21 ARG A 469 47.209 -17.958 0.034 1.00 1.00 H new ATOM 0 HH22 ARG A 469 46.868 -17.719 1.750 1.00 1.00 H new ATOM 670 N LEU A 470 50.063 -12.180 0.718 1.00 1.00 N ATOM 671 CA LEU A 470 50.668 -12.404 2.028 1.00 1.00 C ATOM 672 C LEU A 470 52.176 -12.181 1.958 1.00 1.00 C ATOM 673 O LEU A 470 52.860 -12.750 1.107 1.00 1.00 O ATOM 674 CB LEU A 470 50.373 -13.833 2.500 1.00 1.00 C ATOM 675 CG LEU A 470 50.853 -14.023 3.945 1.00 1.00 C ATOM 676 CD1 LEU A 470 50.091 -13.085 4.886 1.00 1.00 C ATOM 677 CD2 LEU A 470 50.608 -15.472 4.371 1.00 1.00 C ATOM 0 H LEU A 470 50.312 -12.873 0.012 1.00 1.00 H new ATOM 0 HA LEU A 470 50.241 -11.696 2.739 1.00 1.00 H new ATOM 0 HB2 LEU A 470 49.303 -14.032 2.435 1.00 1.00 H new ATOM 0 HB3 LEU A 470 50.870 -14.550 1.847 1.00 1.00 H new ATOM 0 HG LEU A 470 51.917 -13.792 3.999 1.00 1.00 H new ATOM 0 HD11 LEU A 470 50.442 -13.231 5.908 1.00 1.00 H new ATOM 0 HD12 LEU A 470 50.263 -12.051 4.587 1.00 1.00 H new ATOM 0 HD13 LEU A 470 49.025 -13.305 4.834 1.00 1.00 H new ATOM 0 HD21 LEU A 470 50.948 -15.612 5.397 1.00 1.00 H new ATOM 0 HD22 LEU A 470 49.543 -15.695 4.308 1.00 1.00 H new ATOM 0 HD23 LEU A 470 51.159 -16.143 3.712 1.00 1.00 H new ATOM 689 N ARG A 471 52.685 -11.335 2.849 1.00 1.00 N ATOM 690 CA ARG A 471 54.111 -11.023 2.873 1.00 1.00 C ATOM 691 C ARG A 471 54.949 -12.270 3.149 1.00 1.00 C ATOM 692 O ARG A 471 55.981 -12.481 2.510 1.00 1.00 O ATOM 693 CB ARG A 471 54.390 -9.967 3.947 1.00 1.00 C ATOM 694 CG ARG A 471 55.869 -9.569 3.913 1.00 1.00 C ATOM 695 CD ARG A 471 56.127 -8.478 4.954 1.00 1.00 C ATOM 696 NE ARG A 471 55.912 -9.001 6.297 1.00 1.00 N ATOM 697 CZ ARG A 471 55.989 -8.210 7.364 1.00 1.00 C ATOM 698 NH1 ARG A 471 56.260 -6.942 7.216 1.00 1.00 N ATOM 699 NH2 ARG A 471 55.793 -8.702 8.556 1.00 1.00 N ATOM 0 H ARG A 471 52.134 -10.855 3.561 1.00 1.00 H new ATOM 0 HA ARG A 471 54.390 -10.637 1.892 1.00 1.00 H new ATOM 0 HB2 ARG A 471 53.764 -9.090 3.779 1.00 1.00 H new ATOM 0 HB3 ARG A 471 54.132 -10.359 4.931 1.00 1.00 H new ATOM 0 HG2 ARG A 471 56.495 -10.437 4.118 1.00 1.00 H new ATOM 0 HG3 ARG A 471 56.137 -9.210 2.920 1.00 1.00 H new ATOM 0 HD2 ARG A 471 57.148 -8.109 4.859 1.00 1.00 H new ATOM 0 HD3 ARG A 471 55.464 -7.631 4.775 1.00 1.00 H new ATOM 0 HE ARG A 471 55.699 -9.991 6.421 1.00 1.00 H new ATOM 0 HH11 ARG A 471 56.412 -6.559 6.283 1.00 1.00 H new ATOM 0 HH12 ARG A 471 56.319 -6.334 8.033 1.00 1.00 H new ATOM 0 HH21 ARG A 471 55.581 -9.693 8.670 1.00 1.00 H new ATOM 0 HH22 ARG A 471 55.852 -8.096 9.374 1.00 1.00 H new ATOM 713 N ARG A 472 54.511 -13.086 4.107 1.00 1.00 N ATOM 714 CA ARG A 472 55.244 -14.303 4.460 1.00 1.00 C ATOM 715 C ARG A 472 54.339 -15.528 4.364 1.00 1.00 C ATOM 716 O ARG A 472 53.225 -15.533 4.886 1.00 1.00 O ATOM 717 CB ARG A 472 55.795 -14.177 5.884 1.00 1.00 C ATOM 718 CG ARG A 472 56.642 -15.407 6.226 1.00 1.00 C ATOM 719 CD ARG A 472 57.194 -15.265 7.645 1.00 1.00 C ATOM 720 NE ARG A 472 58.136 -16.342 7.930 1.00 1.00 N ATOM 721 CZ ARG A 472 58.741 -16.430 9.110 1.00 1.00 C ATOM 722 NH1 ARG A 472 58.499 -15.545 10.036 1.00 1.00 N ATOM 723 NH2 ARG A 472 59.581 -17.404 9.341 1.00 1.00 N ATOM 0 H ARG A 472 53.661 -12.930 4.648 1.00 1.00 H new ATOM 0 HA ARG A 472 56.068 -14.427 3.758 1.00 1.00 H new ATOM 0 HB2 ARG A 472 56.398 -13.273 5.971 1.00 1.00 H new ATOM 0 HB3 ARG A 472 54.974 -14.081 6.594 1.00 1.00 H new ATOM 0 HG2 ARG A 472 56.038 -16.311 6.148 1.00 1.00 H new ATOM 0 HG3 ARG A 472 57.461 -15.508 5.514 1.00 1.00 H new ATOM 0 HD2 ARG A 472 57.689 -14.300 7.755 1.00 1.00 H new ATOM 0 HD3 ARG A 472 56.376 -15.288 8.365 1.00 1.00 H new ATOM 0 HE ARG A 472 58.333 -17.039 7.212 1.00 1.00 H new ATOM 0 HH11 ARG A 472 57.845 -14.784 9.855 1.00 1.00 H new ATOM 0 HH12 ARG A 472 58.964 -15.614 10.941 1.00 1.00 H new ATOM 0 HH21 ARG A 472 59.772 -18.096 8.616 1.00 1.00 H new ATOM 0 HH22 ARG A 472 60.046 -17.473 10.246 1.00 1.00 H new ATOM 737 N LYS A 473 54.832 -16.567 3.698 1.00 1.00 N ATOM 738 CA LYS A 473 54.066 -17.798 3.542 1.00 1.00 C ATOM 739 C LYS A 473 54.327 -18.744 4.709 1.00 1.00 C ATOM 740 O LYS A 473 53.813 -18.482 5.785 1.00 1.00 O ATOM 741 CB LYS A 473 54.445 -18.488 2.230 1.00 1.00 C ATOM 742 CG LYS A 473 53.975 -17.634 1.050 1.00 1.00 C ATOM 743 CD LYS A 473 54.366 -18.316 -0.262 1.00 1.00 C ATOM 744 CE LYS A 473 53.890 -17.466 -1.442 1.00 1.00 C ATOM 745 NZ LYS A 473 54.281 -18.127 -2.719 1.00 1.00 N ATOM 746 OXT LYS A 473 55.039 -19.715 4.512 1.00 1.00 O ATOM 0 H LYS A 473 55.753 -16.582 3.260 1.00 1.00 H new ATOM 0 HA LYS A 473 53.006 -17.543 3.525 1.00 1.00 H new ATOM 0 HB2 LYS A 473 55.524 -18.632 2.181 1.00 1.00 H new ATOM 0 HB3 LYS A 473 53.989 -19.477 2.182 1.00 1.00 H new ATOM 0 HG2 LYS A 473 52.894 -17.498 1.093 1.00 1.00 H new ATOM 0 HG3 LYS A 473 54.423 -16.642 1.104 1.00 1.00 H new ATOM 0 HD2 LYS A 473 55.447 -18.447 -0.308 1.00 1.00 H new ATOM 0 HD3 LYS A 473 53.922 -19.310 -0.314 1.00 1.00 H new ATOM 0 HE2 LYS A 473 52.808 -17.341 -1.401 1.00 1.00 H new ATOM 0 HE3 LYS A 473 54.328 -16.470 -1.387 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 53.958 -17.550 -3.522 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 55.316 -18.224 -2.757 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 53.843 -19.069 -2.771 1.00 1.00 H new TER 760 LYS A 473