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+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 177:sc= 1.38 USER MOD Single : A 436 THR OG1 : rot -63:sc= 0.0628 USER MOD Single : A 438 SER OG : rot -107:sc= 0.64 USER MOD Single : A 442 MET CE :methyl -139:sc= -0.06 (180deg=-0.586) USER MOD Single : A 453 THR OG1 : rot -18:sc= -0.0347 USER MOD Single : A 463 CYS SG : rot 81:sc= 0.337 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+ 162:sc= -0.0314 (180deg=-0.484) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 21.812 0.712 13.738 1.00 1.00 N ATOM 2 CA GLY A 430 21.382 1.757 12.765 1.00 1.00 C ATOM 3 C GLY A 430 21.160 3.076 13.497 1.00 1.00 C ATOM 4 O GLY A 430 20.303 3.172 14.375 1.00 1.00 O ATOM 0 HA2 GLY A 430 22.140 1.882 11.991 1.00 1.00 H new ATOM 0 HA3 GLY A 430 20.464 1.448 12.265 1.00 1.00 H new ATOM 10 N LYS A 431 21.940 4.089 13.126 1.00 1.00 N ATOM 11 CA LYS A 431 21.827 5.404 13.750 1.00 1.00 C ATOM 12 C LYS A 431 21.637 6.484 12.690 1.00 1.00 C ATOM 13 O LYS A 431 22.204 6.404 11.600 1.00 1.00 O ATOM 14 CB LYS A 431 23.085 5.704 14.566 1.00 1.00 C ATOM 15 CG LYS A 431 23.171 4.733 15.746 1.00 1.00 C ATOM 16 CD LYS A 431 24.438 5.021 16.554 1.00 1.00 C ATOM 17 CE LYS A 431 24.520 4.055 17.737 1.00 1.00 C ATOM 18 NZ LYS A 431 25.760 4.329 18.519 1.00 1.00 N ATOM 0 H LYS A 431 22.654 4.025 12.400 1.00 1.00 H new ATOM 0 HA LYS A 431 20.959 5.400 14.409 1.00 1.00 H new ATOM 0 HB2 LYS A 431 23.970 5.609 13.937 1.00 1.00 H new ATOM 0 HB3 LYS A 431 23.060 6.732 14.928 1.00 1.00 H new ATOM 0 HG2 LYS A 431 22.291 4.837 16.381 1.00 1.00 H new ATOM 0 HG3 LYS A 431 23.184 3.705 15.384 1.00 1.00 H new ATOM 0 HD2 LYS A 431 25.318 4.912 15.921 1.00 1.00 H new ATOM 0 HD3 LYS A 431 24.428 6.051 16.912 1.00 1.00 H new ATOM 0 HE2 LYS A 431 23.643 4.169 18.374 1.00 1.00 H new ATOM 0 HE3 LYS A 431 24.523 3.025 17.380 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 25.815 3.672 19.323 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 26.592 4.199 17.908 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 25.739 5.307 18.872 1.00 1.00 H new ATOM 32 N ARG A 432 20.835 7.492 13.016 1.00 1.00 N ATOM 33 CA ARG A 432 20.577 8.583 12.082 1.00 1.00 C ATOM 34 C ARG A 432 21.716 9.598 12.112 1.00 1.00 C ATOM 35 O ARG A 432 22.270 9.890 13.166 1.00 1.00 O ATOM 36 CB ARG A 432 19.261 9.277 12.442 1.00 1.00 C ATOM 37 CG ARG A 432 18.103 8.291 12.273 1.00 1.00 C ATOM 38 CD ARG A 432 16.801 8.949 12.733 1.00 1.00 C ATOM 39 NE ARG A 432 16.466 10.071 11.864 1.00 1.00 N ATOM 40 CZ ARG A 432 15.427 10.858 12.128 1.00 1.00 C ATOM 41 NH1 ARG A 432 14.690 10.633 13.180 1.00 1.00 N ATOM 42 NH2 ARG A 432 15.146 11.854 11.333 1.00 1.00 N ATOM 0 H ARG A 432 20.356 7.577 13.912 1.00 1.00 H new ATOM 0 HA ARG A 432 20.506 8.167 11.077 1.00 1.00 H new ATOM 0 HB2 ARG A 432 19.297 9.639 13.469 1.00 1.00 H new ATOM 0 HB3 ARG A 432 19.109 10.147 11.803 1.00 1.00 H new ATOM 0 HG2 ARG A 432 18.020 7.986 11.230 1.00 1.00 H new ATOM 0 HG3 ARG A 432 18.292 7.389 12.854 1.00 1.00 H new ATOM 0 HD2 ARG A 432 15.993 8.218 12.722 1.00 1.00 H new ATOM 0 HD3 ARG A 432 16.904 9.295 13.761 1.00 1.00 H new ATOM 0 HE ARG A 432 17.038 10.255 11.040 1.00 1.00 H new ATOM 0 HH11 ARG A 432 14.911 9.854 13.800 1.00 1.00 H new ATOM 0 HH12 ARG A 432 13.893 11.236 13.383 1.00 1.00 H new ATOM 0 HH21 ARG A 432 15.723 12.028 10.510 1.00 1.00 H new ATOM 0 HH22 ARG A 432 14.349 12.458 11.534 1.00 1.00 H new ATOM 56 N SER A 433 22.052 10.135 10.947 1.00 1.00 N ATOM 57 CA SER A 433 23.122 11.123 10.839 1.00 1.00 C ATOM 58 C SER A 433 22.787 12.380 11.642 1.00 1.00 C ATOM 59 O SER A 433 23.653 12.966 12.290 1.00 1.00 O ATOM 60 CB SER A 433 23.339 11.498 9.373 1.00 1.00 C ATOM 61 OG SER A 433 24.409 12.428 9.280 1.00 1.00 O ATOM 0 H SER A 433 21.600 9.904 10.062 1.00 1.00 H new ATOM 0 HA SER A 433 24.033 10.683 11.244 1.00 1.00 H new ATOM 0 HB2 SER A 433 23.565 10.607 8.787 1.00 1.00 H new ATOM 0 HB3 SER A 433 22.429 11.931 8.958 1.00 1.00 H new ATOM 0 HG SER A 433 24.581 12.636 8.338 1.00 1.00 H new ATOM 67 N TRP A 434 21.530 12.797 11.561 1.00 1.00 N ATOM 68 CA TRP A 434 21.061 14.002 12.242 1.00 1.00 C ATOM 69 C TRP A 434 21.474 14.043 13.717 1.00 1.00 C ATOM 70 O TRP A 434 21.606 15.125 14.290 1.00 1.00 O ATOM 71 CB TRP A 434 19.536 14.086 12.143 1.00 1.00 C ATOM 72 CG TRP A 434 19.147 14.466 10.749 1.00 1.00 C ATOM 73 CD1 TRP A 434 19.534 15.598 10.115 1.00 1.00 C ATOM 74 CD2 TRP A 434 18.309 13.736 9.808 1.00 1.00 C ATOM 75 NE1 TRP A 434 18.983 15.608 8.845 1.00 1.00 N ATOM 76 CE2 TRP A 434 18.222 14.482 8.609 1.00 1.00 C ATOM 77 CE3 TRP A 434 17.623 12.510 9.877 1.00 1.00 C ATOM 78 CZ2 TRP A 434 17.479 14.028 7.518 1.00 1.00 C ATOM 79 CZ3 TRP A 434 16.876 12.050 8.781 1.00 1.00 C ATOM 80 CH2 TRP A 434 16.804 12.807 7.604 1.00 1.00 C ATOM 0 H TRP A 434 20.809 12.314 11.025 1.00 1.00 H new ATOM 0 HA TRP A 434 21.527 14.854 11.747 1.00 1.00 H new ATOM 0 HB2 TRP A 434 19.090 13.127 12.408 1.00 1.00 H new ATOM 0 HB3 TRP A 434 19.155 14.821 12.852 1.00 1.00 H new ATOM 0 HD1 TRP A 434 20.168 16.367 10.531 1.00 1.00 H new ATOM 0 HE1 TRP A 434 19.123 16.357 8.167 1.00 1.00 H new ATOM 0 HE3 TRP A 434 17.671 11.918 10.779 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 17.426 14.616 6.614 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 16.354 11.107 8.845 1.00 1.00 H new ATOM 0 HH2 TRP A 434 16.228 12.447 6.764 1.00 1.00 H new ATOM 91 N ASP A 435 21.655 12.883 14.339 1.00 1.00 N ATOM 92 CA ASP A 435 22.025 12.854 15.754 1.00 1.00 C ATOM 93 C ASP A 435 23.381 13.522 15.979 1.00 1.00 C ATOM 94 O ASP A 435 23.601 14.155 17.013 1.00 1.00 O ATOM 95 CB ASP A 435 22.069 11.413 16.275 1.00 1.00 C ATOM 96 CG ASP A 435 23.115 10.599 15.521 1.00 1.00 C ATOM 97 OD1 ASP A 435 23.683 11.121 14.578 1.00 1.00 O ATOM 98 OD2 ASP A 435 23.333 9.459 15.900 1.00 1.00 O ATOM 0 H ASP A 435 21.555 11.968 13.900 1.00 1.00 H new ATOM 0 HA ASP A 435 21.265 13.408 16.305 1.00 1.00 H new ATOM 0 HB2 ASP A 435 22.300 11.413 17.340 1.00 1.00 H new ATOM 0 HB3 ASP A 435 21.089 10.950 16.161 1.00 1.00 H new ATOM 103 N THR A 436 24.284 13.380 15.014 1.00 1.00 N ATOM 104 CA THR A 436 25.613 13.979 15.126 1.00 1.00 C ATOM 105 C THR A 436 25.975 14.722 13.844 1.00 1.00 C ATOM 106 O THR A 436 25.416 14.453 12.782 1.00 1.00 O ATOM 107 CB THR A 436 26.654 12.891 15.398 1.00 1.00 C ATOM 108 OG1 THR A 436 26.726 12.018 14.279 1.00 1.00 O ATOM 109 CG2 THR A 436 26.253 12.097 16.642 1.00 1.00 C ATOM 0 H THR A 436 24.124 12.860 14.151 1.00 1.00 H new ATOM 0 HA THR A 436 25.603 14.688 15.954 1.00 1.00 H new ATOM 0 HB THR A 436 27.628 13.352 15.564 1.00 1.00 H new ATOM 0 HG1 THR A 436 25.862 11.572 14.156 1.00 1.00 H new ATOM 0 HG21 THR A 436 26.995 11.322 16.834 1.00 1.00 H new ATOM 0 HG22 THR A 436 26.198 12.768 17.500 1.00 1.00 H new ATOM 0 HG23 THR A 436 25.280 11.634 16.480 1.00 1.00 H new ATOM 117 N GLU A 437 26.913 15.661 13.954 1.00 1.00 N ATOM 118 CA GLU A 437 27.344 16.443 12.798 1.00 1.00 C ATOM 119 C GLU A 437 28.789 16.120 12.434 1.00 1.00 C ATOM 120 O GLU A 437 29.695 16.269 13.254 1.00 1.00 O ATOM 121 CB GLU A 437 27.217 17.937 13.106 1.00 1.00 C ATOM 122 CG GLU A 437 25.738 18.311 13.237 1.00 1.00 C ATOM 123 CD GLU A 437 25.603 19.779 13.629 1.00 1.00 C ATOM 124 OE1 GLU A 437 26.625 20.434 13.759 1.00 1.00 O ATOM 125 OE2 GLU A 437 24.481 20.226 13.795 1.00 1.00 O ATOM 0 H GLU A 437 27.386 15.897 14.826 1.00 1.00 H new ATOM 0 HA GLU A 437 26.705 16.186 11.953 1.00 1.00 H new ATOM 0 HB2 GLU A 437 27.746 18.174 14.029 1.00 1.00 H new ATOM 0 HB3 GLU A 437 27.682 18.523 12.313 1.00 1.00 H new ATOM 0 HG2 GLU A 437 25.224 18.129 12.293 1.00 1.00 H new ATOM 0 HG3 GLU A 437 25.260 17.681 13.987 1.00 1.00 H new ATOM 132 N SER A 438 28.996 15.680 11.198 1.00 1.00 N ATOM 133 CA SER A 438 30.334 15.340 10.727 1.00 1.00 C ATOM 134 C SER A 438 31.177 16.601 10.559 1.00 1.00 C ATOM 135 O SER A 438 30.664 17.657 10.191 1.00 1.00 O ATOM 136 CB SER A 438 30.246 14.600 9.393 1.00 1.00 C ATOM 137 OG SER A 438 31.559 14.326 8.920 1.00 1.00 O ATOM 0 H SER A 438 28.258 15.551 10.506 1.00 1.00 H new ATOM 0 HA SER A 438 30.808 14.695 11.467 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.690 13.671 9.516 1.00 1.00 H new ATOM 0 HB3 SER A 438 29.703 15.203 8.665 1.00 1.00 H new ATOM 0 HG SER A 438 31.765 14.917 8.166 1.00 1.00 H new ATOM 143 N VAL A 439 32.472 16.484 10.828 1.00 1.00 N ATOM 144 CA VAL A 439 33.371 17.625 10.698 1.00 1.00 C ATOM 145 C VAL A 439 33.431 18.090 9.247 1.00 1.00 C ATOM 146 O VAL A 439 33.408 19.290 8.967 1.00 1.00 O ATOM 147 CB VAL A 439 34.774 17.243 11.178 1.00 1.00 C ATOM 148 CG1 VAL A 439 34.707 16.796 12.641 1.00 1.00 C ATOM 149 CG2 VAL A 439 35.318 16.094 10.321 1.00 1.00 C ATOM 0 H VAL A 439 32.920 15.620 11.134 1.00 1.00 H new ATOM 0 HA VAL A 439 32.991 18.440 11.314 1.00 1.00 H new ATOM 0 HB VAL A 439 35.434 18.106 11.088 1.00 1.00 H new ATOM 0 HG11 VAL A 439 35.705 16.524 12.984 1.00 1.00 H new ATOM 0 HG12 VAL A 439 34.323 17.612 13.253 1.00 1.00 H new ATOM 0 HG13 VAL A 439 34.046 15.934 12.728 1.00 1.00 H new ATOM 0 HG21 VAL A 439 36.317 15.825 10.665 1.00 1.00 H new ATOM 0 HG22 VAL A 439 34.659 15.231 10.409 1.00 1.00 H new ATOM 0 HG23 VAL A 439 35.366 16.409 9.279 1.00 1.00 H new ATOM 159 N LEU A 440 33.499 17.128 8.331 1.00 1.00 N ATOM 160 CA LEU A 440 33.555 17.433 6.902 1.00 1.00 C ATOM 161 C LEU A 440 32.242 17.012 6.234 1.00 1.00 C ATOM 162 O LEU A 440 31.428 16.330 6.858 1.00 1.00 O ATOM 163 CB LEU A 440 34.733 16.678 6.265 1.00 1.00 C ATOM 164 CG LEU A 440 35.824 17.661 5.819 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.478 18.305 7.044 1.00 1.00 C ATOM 166 CD2 LEU A 440 36.887 16.900 5.022 1.00 1.00 C ATOM 0 H LEU A 440 33.517 16.132 8.551 1.00 1.00 H new ATOM 0 HA LEU A 440 33.697 18.505 6.762 1.00 1.00 H new ATOM 0 HB2 LEU A 440 35.146 15.967 6.980 1.00 1.00 H new ATOM 0 HB3 LEU A 440 34.383 16.101 5.409 1.00 1.00 H new ATOM 0 HG LEU A 440 35.378 18.439 5.200 1.00 1.00 H new ATOM 0 HD11 LEU A 440 37.251 19.001 6.720 1.00 1.00 H new ATOM 0 HD12 LEU A 440 35.724 18.842 7.619 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.925 17.530 7.667 1.00 1.00 H new ATOM 0 HD21 LEU A 440 37.666 17.592 4.701 1.00 1.00 H new ATOM 0 HD22 LEU A 440 37.326 16.124 5.649 1.00 1.00 H new ATOM 0 HD23 LEU A 440 36.427 16.441 4.147 1.00 1.00 H new ATOM 178 N PRO A 441 32.008 17.382 4.990 1.00 1.00 N ATOM 179 CA PRO A 441 30.747 16.997 4.287 1.00 1.00 C ATOM 180 C PRO A 441 30.587 15.478 4.204 1.00 1.00 C ATOM 181 O PRO A 441 31.565 14.751 4.043 1.00 1.00 O ATOM 182 CB PRO A 441 30.895 17.593 2.886 1.00 1.00 C ATOM 183 CG PRO A 441 31.981 18.612 2.974 1.00 1.00 C ATOM 184 CD PRO A 441 32.886 18.200 4.132 1.00 1.00 C ATOM 0 HA PRO A 441 29.865 17.362 4.814 1.00 1.00 H new ATOM 0 HB2 PRO A 441 31.146 16.820 2.160 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.961 18.048 2.557 1.00 1.00 H new ATOM 0 HG2 PRO A 441 32.544 18.657 2.042 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.565 19.605 3.144 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.748 17.631 3.783 1.00 1.00 H new ATOM 0 HD3 PRO A 441 33.272 19.068 4.667 1.00 1.00 H new ATOM 192 N MET A 442 29.347 15.011 4.334 1.00 1.00 N ATOM 193 CA MET A 442 29.054 13.580 4.289 1.00 1.00 C ATOM 194 C MET A 442 29.308 12.995 2.894 1.00 1.00 C ATOM 195 O MET A 442 29.774 11.857 2.774 1.00 1.00 O ATOM 196 CB MET A 442 27.597 13.333 4.703 1.00 1.00 C ATOM 197 CG MET A 442 27.416 13.716 6.176 1.00 1.00 C ATOM 198 SD MET A 442 25.713 13.379 6.697 1.00 1.00 S ATOM 199 CE MET A 442 24.912 14.742 5.811 1.00 1.00 C ATOM 0 H MET A 442 28.528 15.603 4.471 1.00 1.00 H new ATOM 0 HA MET A 442 29.723 13.079 4.988 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.925 13.920 4.078 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.337 12.285 4.553 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.113 13.152 6.796 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.646 14.772 6.317 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.148 15.190 6.446 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.656 15.495 5.553 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.449 14.362 4.900 1.00 1.00 H new ATOM 209 N TRP A 443 28.968 13.753 1.843 1.00 1.00 N ATOM 210 CA TRP A 443 29.145 13.253 0.474 1.00 1.00 C ATOM 211 C TRP A 443 30.623 13.003 0.125 1.00 1.00 C ATOM 212 O TRP A 443 30.962 11.970 -0.467 1.00 1.00 O ATOM 213 CB TRP A 443 28.526 14.242 -0.526 1.00 1.00 C ATOM 214 CG TRP A 443 29.144 15.601 -0.375 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.641 16.607 0.376 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.350 16.123 -1.000 1.00 1.00 C ATOM 217 NE1 TRP A 443 29.473 17.710 0.265 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.539 17.461 -0.573 1.00 1.00 C ATOM 219 CE3 TRP A 443 31.294 15.570 -1.882 1.00 1.00 C ATOM 220 CZ2 TRP A 443 31.625 18.222 -1.005 1.00 1.00 C ATOM 221 CZ3 TRP A 443 32.387 16.332 -2.320 1.00 1.00 C ATOM 222 CH2 TRP A 443 32.554 17.656 -1.882 1.00 1.00 C ATOM 0 H TRP A 443 28.578 14.693 1.910 1.00 1.00 H new ATOM 0 HA TRP A 443 28.634 12.292 0.410 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.675 13.880 -1.543 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.450 14.306 -0.364 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.738 16.559 0.966 1.00 1.00 H new ATOM 0 HE1 TRP A 443 29.316 18.597 0.744 1.00 1.00 H new ATOM 0 HE3 TRP A 443 31.177 14.552 -2.225 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 31.747 19.240 -0.665 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 33.106 15.897 -2.999 1.00 1.00 H new ATOM 0 HH2 TRP A 443 33.399 18.236 -2.223 1.00 1.00 H new ATOM 233 N VAL A 444 31.504 13.942 0.475 1.00 1.00 N ATOM 234 CA VAL A 444 32.924 13.770 0.164 1.00 1.00 C ATOM 235 C VAL A 444 33.503 12.596 0.941 1.00 1.00 C ATOM 236 O VAL A 444 34.325 11.841 0.423 1.00 1.00 O ATOM 237 CB VAL A 444 33.717 15.054 0.460 1.00 1.00 C ATOM 238 CG1 VAL A 444 34.148 15.091 1.930 1.00 1.00 C ATOM 239 CG2 VAL A 444 34.967 15.087 -0.428 1.00 1.00 C ATOM 0 H VAL A 444 31.269 14.807 0.961 1.00 1.00 H new ATOM 0 HA VAL A 444 33.010 13.559 -0.902 1.00 1.00 H new ATOM 0 HB VAL A 444 33.083 15.916 0.255 1.00 1.00 H new ATOM 0 HG11 VAL A 444 34.708 16.006 2.122 1.00 1.00 H new ATOM 0 HG12 VAL A 444 33.265 15.065 2.569 1.00 1.00 H new ATOM 0 HG13 VAL A 444 34.778 14.228 2.146 1.00 1.00 H new ATOM 0 HG21 VAL A 444 35.535 15.995 -0.224 1.00 1.00 H new ATOM 0 HG22 VAL A 444 35.587 14.216 -0.216 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.669 15.074 -1.476 1.00 1.00 H new ATOM 249 N LEU A 445 33.067 12.452 2.190 1.00 1.00 N ATOM 250 CA LEU A 445 33.550 11.367 3.039 1.00 1.00 C ATOM 251 C LEU A 445 33.166 10.024 2.416 1.00 1.00 C ATOM 252 O LEU A 445 33.956 9.079 2.378 1.00 1.00 O ATOM 253 CB LEU A 445 32.920 11.509 4.437 1.00 1.00 C ATOM 254 CG LEU A 445 33.758 10.804 5.525 1.00 1.00 C ATOM 255 CD1 LEU A 445 33.946 9.323 5.192 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.133 11.476 5.647 1.00 1.00 C ATOM 0 H LEU A 445 32.386 13.068 2.634 1.00 1.00 H new ATOM 0 HA LEU A 445 34.635 11.414 3.128 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.821 12.566 4.684 1.00 1.00 H new ATOM 0 HB3 LEU A 445 31.914 11.089 4.425 1.00 1.00 H new ATOM 0 HG LEU A 445 33.224 10.887 6.472 1.00 1.00 H new ATOM 0 HD11 LEU A 445 34.539 8.847 5.973 1.00 1.00 H new ATOM 0 HD12 LEU A 445 32.972 8.838 5.130 1.00 1.00 H new ATOM 0 HD13 LEU A 445 34.461 9.228 4.236 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.717 10.972 6.417 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.656 11.410 4.693 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.003 12.524 5.918 1.00 1.00 H new ATOM 268 N ALA A 446 31.926 9.957 1.931 1.00 1.00 N ATOM 269 CA ALA A 446 31.403 8.737 1.321 1.00 1.00 C ATOM 270 C ALA A 446 32.198 8.332 0.076 1.00 1.00 C ATOM 271 O ALA A 446 32.483 7.151 -0.148 1.00 1.00 O ATOM 272 CB ALA A 446 29.939 8.959 0.933 1.00 1.00 C ATOM 0 H ALA A 446 31.266 10.734 1.949 1.00 1.00 H new ATOM 0 HA ALA A 446 31.492 7.932 2.051 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.542 8.052 0.477 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.359 9.201 1.824 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.872 9.782 0.222 1.00 1.00 H new ATOM 278 N LEU A 447 32.537 9.336 -0.732 1.00 1.00 N ATOM 279 CA LEU A 447 33.282 9.117 -1.971 1.00 1.00 C ATOM 280 C LEU A 447 34.658 8.521 -1.698 1.00 1.00 C ATOM 281 O LEU A 447 35.113 7.633 -2.419 1.00 1.00 O ATOM 282 CB LEU A 447 33.431 10.437 -2.734 1.00 1.00 C ATOM 283 CG LEU A 447 32.068 10.872 -3.295 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.185 12.287 -3.865 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.618 9.915 -4.407 1.00 1.00 C ATOM 0 H LEU A 447 32.306 10.313 -0.550 1.00 1.00 H new ATOM 0 HA LEU A 447 32.720 8.406 -2.577 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.824 11.208 -2.071 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.148 10.319 -3.547 1.00 1.00 H new ATOM 0 HG LEU A 447 31.332 10.852 -2.491 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.220 12.599 -4.264 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.490 12.973 -3.075 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.928 12.298 -4.662 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.651 10.236 -4.794 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.352 9.922 -5.213 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.531 8.906 -4.005 1.00 1.00 H new ATOM 297 N ILE A 448 35.320 9.018 -0.659 1.00 1.00 N ATOM 298 CA ILE A 448 36.655 8.541 -0.301 1.00 1.00 C ATOM 299 C ILE A 448 36.614 7.062 0.071 1.00 1.00 C ATOM 300 O ILE A 448 37.492 6.285 -0.309 1.00 1.00 O ATOM 301 CB ILE A 448 37.188 9.346 0.887 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.448 10.791 0.450 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.494 8.721 1.384 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.712 11.655 1.683 1.00 1.00 C ATOM 0 H ILE A 448 34.956 9.750 -0.049 1.00 1.00 H new ATOM 0 HA ILE A 448 37.312 8.671 -1.161 1.00 1.00 H new ATOM 0 HB ILE A 448 36.452 9.336 1.691 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.303 10.830 -0.225 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.590 11.176 -0.100 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.873 9.295 2.230 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.310 7.693 1.696 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.230 8.730 0.580 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.897 12.684 1.374 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.844 11.625 2.341 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.584 11.274 2.215 1.00 1.00 H new ATOM 316 N VAL A 449 35.594 6.694 0.838 1.00 1.00 N ATOM 317 CA VAL A 449 35.442 5.314 1.287 1.00 1.00 C ATOM 318 C VAL A 449 35.273 4.381 0.093 1.00 1.00 C ATOM 319 O VAL A 449 35.871 3.307 0.050 1.00 1.00 O ATOM 320 CB VAL A 449 34.234 5.193 2.219 1.00 1.00 C ATOM 321 CG1 VAL A 449 33.974 3.719 2.534 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.518 5.945 3.523 1.00 1.00 C ATOM 0 H VAL A 449 34.863 7.328 1.161 1.00 1.00 H new ATOM 0 HA VAL A 449 36.341 5.026 1.831 1.00 1.00 H new ATOM 0 HB VAL A 449 33.358 5.621 1.731 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.113 3.635 3.198 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.773 3.179 1.609 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.850 3.291 3.020 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.658 5.859 4.187 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.395 5.515 4.007 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.704 6.996 3.304 1.00 1.00 H new ATOM 332 N ILE A 450 34.455 4.784 -0.872 1.00 1.00 N ATOM 333 CA ILE A 450 34.219 3.966 -2.056 1.00 1.00 C ATOM 334 C ILE A 450 35.514 3.778 -2.852 1.00 1.00 C ATOM 335 O ILE A 450 35.810 2.673 -3.306 1.00 1.00 O ATOM 336 CB ILE A 450 33.166 4.635 -2.951 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.789 4.631 -2.256 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.080 3.906 -4.294 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.320 3.200 -1.945 1.00 1.00 C ATOM 0 H ILE A 450 33.946 5.668 -0.859 1.00 1.00 H new ATOM 0 HA ILE A 450 33.860 2.990 -1.731 1.00 1.00 H new ATOM 0 HB ILE A 450 33.463 5.669 -3.127 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.845 5.206 -1.332 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.056 5.125 -2.894 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.331 4.388 -4.922 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.049 3.944 -4.791 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.799 2.866 -4.126 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.347 3.234 -1.456 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.240 2.634 -2.873 1.00 1.00 H new ATOM 0 HD13 ILE A 450 32.041 2.716 -1.286 1.00 1.00 H new ATOM 351 N PHE A 451 36.281 4.853 -3.022 1.00 1.00 N ATOM 352 CA PHE A 451 37.527 4.727 -3.780 1.00 1.00 C ATOM 353 C PHE A 451 38.471 3.735 -3.105 1.00 1.00 C ATOM 354 O PHE A 451 39.041 2.862 -3.757 1.00 1.00 O ATOM 355 CB PHE A 451 38.241 6.079 -3.928 1.00 1.00 C ATOM 356 CG PHE A 451 37.512 6.953 -4.927 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.427 6.561 -6.270 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.921 8.153 -4.512 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.754 7.368 -7.194 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.246 8.958 -5.439 1.00 1.00 C ATOM 361 CZ PHE A 451 36.162 8.566 -6.779 1.00 1.00 C ATOM 0 H PHE A 451 36.076 5.785 -2.663 1.00 1.00 H new ATOM 0 HA PHE A 451 37.260 4.363 -4.772 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.287 6.581 -2.962 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.269 5.921 -4.255 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.881 5.636 -6.592 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.986 8.458 -3.478 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.691 7.066 -8.229 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.790 9.883 -5.118 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.641 9.187 -7.492 1.00 1.00 H new ATOM 371 N LEU A 452 38.626 3.876 -1.792 1.00 1.00 N ATOM 372 CA LEU A 452 39.493 2.997 -1.011 1.00 1.00 C ATOM 373 C LEU A 452 38.973 1.560 -1.006 1.00 1.00 C ATOM 374 O LEU A 452 39.760 0.616 -1.090 1.00 1.00 O ATOM 375 CB LEU A 452 39.591 3.522 0.429 1.00 1.00 C ATOM 376 CG LEU A 452 40.491 2.611 1.277 1.00 1.00 C ATOM 377 CD1 LEU A 452 41.882 2.511 0.646 1.00 1.00 C ATOM 378 CD2 LEU A 452 40.618 3.200 2.683 1.00 1.00 C ATOM 0 H LEU A 452 38.159 4.597 -1.242 1.00 1.00 H new ATOM 0 HA LEU A 452 40.481 2.993 -1.472 1.00 1.00 H new ATOM 0 HB2 LEU A 452 39.991 4.536 0.426 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.596 3.573 0.872 1.00 1.00 H new ATOM 0 HG LEU A 452 40.049 1.616 1.326 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.512 1.863 1.255 1.00 1.00 H new ATOM 0 HD12 LEU A 452 41.797 2.095 -0.358 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.329 3.504 0.591 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.256 2.558 3.290 1.00 1.00 H new ATOM 0 HD22 LEU A 452 41.058 4.195 2.622 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.631 3.267 3.140 1.00 1.00 H new ATOM 390 N THR A 453 37.659 1.397 -0.890 1.00 1.00 N ATOM 391 CA THR A 453 37.080 0.055 -0.858 1.00 1.00 C ATOM 392 C THR A 453 37.346 -0.682 -2.168 1.00 1.00 C ATOM 393 O THR A 453 37.681 -1.867 -2.172 1.00 1.00 O ATOM 394 CB THR A 453 35.573 0.137 -0.617 1.00 1.00 C ATOM 395 OG1 THR A 453 34.984 0.961 -1.610 1.00 1.00 O ATOM 396 CG2 THR A 453 35.308 0.733 0.767 1.00 1.00 C ATOM 0 H THR A 453 36.985 2.159 -0.818 1.00 1.00 H new ATOM 0 HA THR A 453 37.549 -0.496 -0.043 1.00 1.00 H new ATOM 0 HB THR A 453 35.140 -0.862 -0.668 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.677 1.512 -2.031 1.00 1.00 H new ATOM 0 HG21 THR A 453 34.233 0.791 0.938 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.763 0.100 1.529 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.739 1.733 0.821 1.00 1.00 H new ATOM 404 N ILE A 454 37.192 0.030 -3.278 1.00 1.00 N ATOM 405 CA ILE A 454 37.418 -0.550 -4.595 1.00 1.00 C ATOM 406 C ILE A 454 38.884 -0.935 -4.783 1.00 1.00 C ATOM 407 O ILE A 454 39.201 -1.993 -5.324 1.00 1.00 O ATOM 408 CB ILE A 454 37.008 0.450 -5.677 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.490 0.640 -5.643 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.424 -0.081 -7.050 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.102 1.835 -6.518 1.00 1.00 C ATOM 0 H ILE A 454 36.911 1.011 -3.292 1.00 1.00 H new ATOM 0 HA ILE A 454 36.813 -1.453 -4.678 1.00 1.00 H new ATOM 0 HB ILE A 454 37.500 1.405 -5.494 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.992 -0.262 -6.000 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.157 0.803 -4.618 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.131 0.633 -7.820 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.505 -0.218 -7.075 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.933 -1.036 -7.235 1.00 1.00 H new ATOM 0 HD11 ILE A 454 34.021 1.969 -6.493 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.588 2.735 -6.141 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.421 1.653 -7.544 1.00 1.00 H new ATOM 423 N ALA A 455 39.764 -0.036 -4.357 1.00 1.00 N ATOM 424 CA ALA A 455 41.201 -0.246 -4.507 1.00 1.00 C ATOM 425 C ALA A 455 41.693 -1.493 -3.774 1.00 1.00 C ATOM 426 O ALA A 455 42.442 -2.290 -4.338 1.00 1.00 O ATOM 427 CB ALA A 455 41.956 0.975 -3.982 1.00 1.00 C ATOM 0 H ALA A 455 39.510 0.843 -3.906 1.00 1.00 H new ATOM 0 HA ALA A 455 41.394 -0.391 -5.570 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.028 0.816 -4.095 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.658 1.858 -4.548 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.720 1.123 -2.928 1.00 1.00 H new ATOM 433 N VAL A 456 41.289 -1.660 -2.518 1.00 1.00 N ATOM 434 CA VAL A 456 41.732 -2.819 -1.749 1.00 1.00 C ATOM 435 C VAL A 456 41.193 -4.125 -2.332 1.00 1.00 C ATOM 436 O VAL A 456 41.926 -5.110 -2.408 1.00 1.00 O ATOM 437 CB VAL A 456 41.324 -2.680 -0.276 1.00 1.00 C ATOM 438 CG1 VAL A 456 39.808 -2.548 -0.158 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.785 -3.919 0.496 1.00 1.00 C ATOM 0 H VAL A 456 40.669 -1.022 -2.019 1.00 1.00 H new ATOM 0 HA VAL A 456 42.820 -2.854 -1.810 1.00 1.00 H new ATOM 0 HB VAL A 456 41.792 -1.787 0.139 1.00 1.00 H new ATOM 0 HG11 VAL A 456 39.532 -2.450 0.892 1.00 1.00 H new ATOM 0 HG12 VAL A 456 39.476 -1.665 -0.704 1.00 1.00 H new ATOM 0 HG13 VAL A 456 39.332 -3.434 -0.577 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.497 -3.824 1.543 1.00 1.00 H new ATOM 0 HG22 VAL A 456 41.318 -4.807 0.071 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.869 -4.010 0.425 1.00 1.00 H new ATOM 449 N LEU A 457 39.929 -4.149 -2.752 1.00 1.00 N ATOM 450 CA LEU A 457 39.372 -5.374 -3.322 1.00 1.00 C ATOM 451 C LEU A 457 40.115 -5.756 -4.601 1.00 1.00 C ATOM 452 O LEU A 457 40.448 -6.922 -4.822 1.00 1.00 O ATOM 453 CB LEU A 457 37.885 -5.182 -3.641 1.00 1.00 C ATOM 454 CG LEU A 457 37.081 -5.068 -2.340 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.641 -4.671 -2.666 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.083 -6.409 -1.592 1.00 1.00 C ATOM 0 H LEU A 457 39.287 -3.358 -2.711 1.00 1.00 H new ATOM 0 HA LEU A 457 39.487 -6.172 -2.589 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.747 -4.284 -4.244 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.520 -6.022 -4.232 1.00 1.00 H new ATOM 0 HG LEU A 457 37.540 -4.309 -1.706 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.068 -4.590 -1.742 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.636 -3.711 -3.182 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.191 -5.429 -3.307 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.509 -6.313 -0.671 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.634 -7.177 -2.221 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.108 -6.690 -1.352 1.00 1.00 H new ATOM 468 N LEU A 458 40.376 -4.749 -5.430 1.00 1.00 N ATOM 469 CA LEU A 458 41.089 -4.955 -6.685 1.00 1.00 C ATOM 470 C LEU A 458 42.516 -5.431 -6.437 1.00 1.00 C ATOM 471 O LEU A 458 43.021 -6.294 -7.157 1.00 1.00 O ATOM 472 CB LEU A 458 41.115 -3.659 -7.499 1.00 1.00 C ATOM 473 CG LEU A 458 39.708 -3.344 -8.019 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.695 -1.940 -8.626 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.294 -4.363 -9.090 1.00 1.00 C ATOM 0 H LEU A 458 40.104 -3.782 -5.254 1.00 1.00 H new ATOM 0 HA LEU A 458 40.560 -5.726 -7.246 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.476 -2.837 -6.880 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.808 -3.757 -8.335 1.00 1.00 H new ATOM 0 HG LEU A 458 39.004 -3.397 -7.188 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.695 -1.713 -8.997 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.973 -1.212 -7.864 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.407 -1.893 -9.450 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.293 -4.126 -9.450 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.997 -4.323 -9.922 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.298 -5.365 -8.660 1.00 1.00 H new ATOM 487 N ALA A 459 43.173 -4.851 -5.437 1.00 1.00 N ATOM 488 CA ALA A 459 44.552 -5.212 -5.132 1.00 1.00 C ATOM 489 C ALA A 459 44.668 -6.682 -4.747 1.00 1.00 C ATOM 490 O ALA A 459 45.609 -7.373 -5.135 1.00 1.00 O ATOM 491 CB ALA A 459 45.075 -4.342 -3.988 1.00 1.00 C ATOM 0 H ALA A 459 42.776 -4.135 -4.829 1.00 1.00 H new ATOM 0 HA ALA A 459 45.150 -5.044 -6.028 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.106 -4.616 -3.764 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.034 -3.293 -4.281 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.458 -4.496 -3.102 1.00 1.00 H new ATOM 497 N LEU A 460 43.705 -7.136 -3.950 1.00 1.00 N ATOM 498 CA LEU A 460 43.712 -8.514 -3.477 1.00 1.00 C ATOM 499 C LEU A 460 43.613 -9.495 -4.641 1.00 1.00 C ATOM 500 O LEU A 460 44.333 -10.491 -4.673 1.00 1.00 O ATOM 501 CB LEU A 460 42.538 -8.741 -2.521 1.00 1.00 C ATOM 502 CG LEU A 460 42.781 -7.978 -1.214 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.513 -8.013 -0.361 1.00 1.00 C ATOM 504 CD2 LEU A 460 43.937 -8.617 -0.431 1.00 1.00 C ATOM 0 H LEU A 460 42.918 -6.576 -3.622 1.00 1.00 H new ATOM 0 HA LEU A 460 44.653 -8.688 -2.956 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.610 -8.404 -2.983 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.424 -9.805 -2.316 1.00 1.00 H new ATOM 0 HG LEU A 460 43.040 -6.946 -1.451 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.685 -7.471 0.569 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.694 -7.546 -0.908 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.255 -9.048 -0.135 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.098 -8.065 0.495 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.690 -9.653 -0.197 1.00 1.00 H new ATOM 0 HD23 LEU A 460 44.845 -8.588 -1.034 1.00 1.00 H new ATOM 516 N ARG A 461 42.742 -9.216 -5.603 1.00 1.00 N ATOM 517 CA ARG A 461 42.609 -10.106 -6.751 1.00 1.00 C ATOM 518 C ARG A 461 43.907 -10.109 -7.551 1.00 1.00 C ATOM 519 O ARG A 461 44.399 -11.163 -7.956 1.00 1.00 O ATOM 520 CB ARG A 461 41.428 -9.648 -7.624 1.00 1.00 C ATOM 521 CG ARG A 461 41.202 -10.618 -8.795 1.00 1.00 C ATOM 522 CD ARG A 461 41.905 -10.113 -10.064 1.00 1.00 C ATOM 523 NE ARG A 461 41.682 -11.045 -11.163 1.00 1.00 N ATOM 524 CZ ARG A 461 40.604 -10.955 -11.938 1.00 1.00 C ATOM 525 NH1 ARG A 461 39.714 -10.026 -11.715 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.435 -11.797 -12.919 1.00 1.00 N ATOM 0 H ARG A 461 42.130 -8.400 -5.614 1.00 1.00 H new ATOM 0 HA ARG A 461 42.413 -11.122 -6.409 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.524 -9.587 -7.017 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.622 -8.647 -8.008 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.580 -11.606 -8.533 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.134 -10.725 -8.984 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.527 -9.126 -10.331 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.974 -10.005 -9.879 1.00 1.00 H new ATOM 0 HE ARG A 461 42.366 -11.781 -11.341 1.00 1.00 H new ATOM 0 HH11 ARG A 461 39.845 -9.368 -10.946 1.00 1.00 H new ATOM 0 HH12 ARG A 461 38.888 -9.958 -12.310 1.00 1.00 H new ATOM 0 HH21 ARG A 461 41.129 -12.524 -13.092 1.00 1.00 H new ATOM 0 HH22 ARG A 461 39.609 -11.728 -13.513 1.00 1.00 H new ATOM 540 N PHE A 462 44.455 -8.915 -7.758 1.00 1.00 N ATOM 541 CA PHE A 462 45.705 -8.736 -8.493 1.00 1.00 C ATOM 542 C PHE A 462 46.854 -9.431 -7.782 1.00 1.00 C ATOM 543 O PHE A 462 47.657 -10.126 -8.403 1.00 1.00 O ATOM 544 CB PHE A 462 46.016 -7.246 -8.636 1.00 1.00 C ATOM 545 CG PHE A 462 47.302 -7.072 -9.408 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.323 -7.287 -10.791 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.474 -6.695 -8.741 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.515 -7.125 -11.508 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.666 -6.534 -9.457 1.00 1.00 C ATOM 550 CZ PHE A 462 49.687 -6.749 -10.841 1.00 1.00 C ATOM 0 H PHE A 462 44.046 -8.044 -7.421 1.00 1.00 H new ATOM 0 HA PHE A 462 45.588 -9.181 -9.481 1.00 1.00 H new ATOM 0 HB2 PHE A 462 45.199 -6.741 -9.151 1.00 1.00 H new ATOM 0 HB3 PHE A 462 46.105 -6.786 -7.652 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.419 -7.578 -11.306 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.458 -6.528 -7.674 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.530 -7.290 -12.575 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.570 -6.244 -8.942 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.607 -6.625 -11.393 1.00 1.00 H new ATOM 560 N CYS A 463 46.921 -9.246 -6.473 1.00 1.00 N ATOM 561 CA CYS A 463 47.957 -9.851 -5.656 1.00 1.00 C ATOM 562 C CYS A 463 47.675 -11.328 -5.458 1.00 1.00 C ATOM 563 O CYS A 463 48.592 -12.116 -5.225 1.00 1.00 O ATOM 564 CB CYS A 463 48.018 -9.155 -4.296 1.00 1.00 C ATOM 565 SG CYS A 463 48.463 -7.416 -4.527 1.00 1.00 S ATOM 0 H CYS A 463 46.259 -8.673 -5.949 1.00 1.00 H new ATOM 0 HA CYS A 463 48.914 -9.738 -6.165 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.054 -9.231 -3.793 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.751 -9.647 -3.656 1.00 1.00 H new ATOM 0 HG CYS A 463 47.408 -6.741 -4.877 1.00 1.00 H new ATOM 571 N GLY A 464 46.404 -11.702 -5.539 1.00 1.00 N ATOM 572 CA GLY A 464 46.045 -13.098 -5.348 1.00 1.00 C ATOM 573 C GLY A 464 46.627 -13.983 -6.446 1.00 1.00 C ATOM 574 O GLY A 464 47.305 -14.968 -6.161 1.00 1.00 O ATOM 0 H GLY A 464 45.623 -11.075 -5.731 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.406 -13.437 -4.377 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.960 -13.197 -5.337 1.00 1.00 H new ATOM 578 N ILE A 465 46.376 -13.621 -7.703 1.00 1.00 N ATOM 579 CA ILE A 465 46.891 -14.397 -8.829 1.00 1.00 C ATOM 580 C ILE A 465 48.417 -14.369 -8.856 1.00 1.00 C ATOM 581 O ILE A 465 49.060 -15.399 -9.061 1.00 1.00 O ATOM 582 CB ILE A 465 46.349 -13.833 -10.144 1.00 1.00 C ATOM 583 CG1 ILE A 465 44.813 -13.770 -10.087 1.00 1.00 C ATOM 584 CG2 ILE A 465 46.800 -14.712 -11.314 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.215 -15.159 -9.814 1.00 1.00 C ATOM 0 H ILE A 465 45.825 -12.804 -7.966 1.00 1.00 H new ATOM 0 HA ILE A 465 46.562 -15.429 -8.709 1.00 1.00 H new ATOM 0 HB ILE A 465 46.740 -12.826 -10.292 1.00 1.00 H new ATOM 0 HG12 ILE A 465 44.503 -13.076 -9.306 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.426 -13.382 -11.029 1.00 1.00 H new ATOM 0 HG21 ILE A 465 46.410 -14.304 -12.247 1.00 1.00 H new ATOM 0 HG22 ILE A 465 47.889 -14.733 -11.354 1.00 1.00 H new ATOM 0 HG23 ILE A 465 46.422 -15.725 -11.175 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.128 -15.087 -9.779 1.00 1.00 H new ATOM 0 HD12 ILE A 465 44.507 -15.844 -10.610 1.00 1.00 H new ATOM 0 HD13 ILE A 465 44.585 -15.533 -8.859 1.00 1.00 H new ATOM 597 N TYR A 466 48.991 -13.191 -8.656 1.00 1.00 N ATOM 598 CA TYR A 466 50.445 -13.065 -8.669 1.00 1.00 C ATOM 599 C TYR A 466 51.068 -13.646 -7.402 1.00 1.00 C ATOM 600 O TYR A 466 52.250 -13.993 -7.385 1.00 1.00 O ATOM 601 CB TYR A 466 50.842 -11.595 -8.821 1.00 1.00 C ATOM 602 CG TYR A 466 50.742 -11.197 -10.276 1.00 1.00 C ATOM 603 CD1 TYR A 466 49.489 -10.990 -10.866 1.00 1.00 C ATOM 604 CD2 TYR A 466 51.908 -11.028 -11.034 1.00 1.00 C ATOM 605 CE1 TYR A 466 49.402 -10.616 -12.213 1.00 1.00 C ATOM 606 CE2 TYR A 466 51.821 -10.655 -12.380 1.00 1.00 C ATOM 607 CZ TYR A 466 50.568 -10.449 -12.970 1.00 1.00 C ATOM 608 OH TYR A 466 50.482 -10.080 -14.297 1.00 1.00 O ATOM 0 H TYR A 466 48.485 -12.322 -8.486 1.00 1.00 H new ATOM 0 HA TYR A 466 50.823 -13.633 -9.519 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.190 -10.966 -8.215 1.00 1.00 H new ATOM 0 HB3 TYR A 466 51.859 -11.442 -8.460 1.00 1.00 H new ATOM 0 HD1 TYR A 466 48.590 -11.119 -10.282 1.00 1.00 H new ATOM 0 HD2 TYR A 466 52.875 -11.186 -10.579 1.00 1.00 H new ATOM 0 HE1 TYR A 466 48.435 -10.456 -12.668 1.00 1.00 H new ATOM 0 HE2 TYR A 466 52.720 -10.526 -12.964 1.00 1.00 H new ATOM 0 HH TYR A 466 51.383 -10.007 -14.675 1.00 1.00 H new ATOM 618 N GLY A 467 50.269 -13.755 -6.344 1.00 1.00 N ATOM 619 CA GLY A 467 50.763 -14.303 -5.086 1.00 1.00 C ATOM 620 C GLY A 467 51.588 -13.271 -4.326 1.00 1.00 C ATOM 621 O GLY A 467 52.345 -13.618 -3.419 1.00 1.00 O ATOM 0 H GLY A 467 49.288 -13.475 -6.332 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.923 -14.626 -4.471 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.371 -15.186 -5.284 1.00 1.00 H new ATOM 625 N TYR A 468 51.453 -12.006 -4.706 1.00 1.00 N ATOM 626 CA TYR A 468 52.210 -10.942 -4.055 1.00 1.00 C ATOM 627 C TYR A 468 51.878 -10.867 -2.569 1.00 1.00 C ATOM 628 O TYR A 468 52.774 -10.786 -1.729 1.00 1.00 O ATOM 629 CB TYR A 468 51.905 -9.598 -4.722 1.00 1.00 C ATOM 630 CG TYR A 468 52.614 -8.494 -3.975 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.986 -8.289 -4.161 1.00 1.00 C ATOM 632 CD2 TYR A 468 51.896 -7.673 -3.094 1.00 1.00 C ATOM 633 CE1 TYR A 468 54.642 -7.265 -3.468 1.00 1.00 C ATOM 634 CE2 TYR A 468 52.553 -6.649 -2.402 1.00 1.00 C ATOM 635 CZ TYR A 468 53.926 -6.444 -2.588 1.00 1.00 C ATOM 636 OH TYR A 468 54.572 -5.434 -1.906 1.00 1.00 O ATOM 0 H TYR A 468 50.833 -11.693 -5.453 1.00 1.00 H new ATOM 0 HA TYR A 468 53.271 -11.166 -4.160 1.00 1.00 H new ATOM 0 HB2 TYR A 468 52.229 -9.614 -5.763 1.00 1.00 H new ATOM 0 HB3 TYR A 468 50.830 -9.417 -4.726 1.00 1.00 H new ATOM 0 HD1 TYR A 468 54.539 -8.921 -4.840 1.00 1.00 H new ATOM 0 HD2 TYR A 468 50.837 -7.831 -2.950 1.00 1.00 H new ATOM 0 HE1 TYR A 468 55.701 -7.108 -3.612 1.00 1.00 H new ATOM 0 HE2 TYR A 468 52.000 -6.016 -1.724 1.00 1.00 H new ATOM 0 HH TYR A 468 53.929 -4.959 -1.339 1.00 1.00 H new ATOM 646 N ARG A 469 50.590 -10.895 -2.248 1.00 1.00 N ATOM 647 CA ARG A 469 50.165 -10.831 -0.854 1.00 1.00 C ATOM 648 C ARG A 469 50.690 -12.039 -0.083 1.00 1.00 C ATOM 649 O ARG A 469 51.164 -11.910 1.045 1.00 1.00 O ATOM 650 CB ARG A 469 48.635 -10.788 -0.775 1.00 1.00 C ATOM 651 CG ARG A 469 48.194 -10.633 0.685 1.00 1.00 C ATOM 652 CD ARG A 469 46.668 -10.601 0.754 1.00 1.00 C ATOM 653 NE ARG A 469 46.231 -10.290 2.111 1.00 1.00 N ATOM 654 CZ ARG A 469 44.978 -10.510 2.496 1.00 1.00 C ATOM 655 NH1 ARG A 469 44.115 -11.011 1.655 1.00 1.00 N ATOM 656 NH2 ARG A 469 44.611 -10.225 3.715 1.00 1.00 N ATOM 0 H ARG A 469 49.829 -10.961 -2.924 1.00 1.00 H new ATOM 0 HA ARG A 469 50.572 -9.925 -0.406 1.00 1.00 H new ATOM 0 HB2 ARG A 469 48.254 -9.957 -1.369 1.00 1.00 H new ATOM 0 HB3 ARG A 469 48.214 -11.701 -1.197 1.00 1.00 H new ATOM 0 HG2 ARG A 469 48.579 -11.460 1.282 1.00 1.00 H new ATOM 0 HG3 ARG A 469 48.607 -9.716 1.106 1.00 1.00 H new ATOM 0 HD2 ARG A 469 46.281 -9.855 0.060 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.263 -11.565 0.445 1.00 1.00 H new ATOM 0 HE ARG A 469 46.898 -9.897 2.775 1.00 1.00 H new ATOM 0 HH11 ARG A 469 44.402 -11.234 0.702 1.00 1.00 H new ATOM 0 HH12 ARG A 469 43.154 -11.180 1.951 1.00 1.00 H new ATOM 0 HH21 ARG A 469 45.286 -9.833 4.372 1.00 1.00 H new ATOM 0 HH22 ARG A 469 43.650 -10.394 4.011 1.00 1.00 H new ATOM 670 N LEU A 470 50.596 -13.214 -0.699 1.00 1.00 N ATOM 671 CA LEU A 470 51.061 -14.440 -0.060 1.00 1.00 C ATOM 672 C LEU A 470 52.564 -14.379 0.199 1.00 1.00 C ATOM 673 O LEU A 470 53.037 -14.791 1.258 1.00 1.00 O ATOM 674 CB LEU A 470 50.745 -15.644 -0.950 1.00 1.00 C ATOM 675 CG LEU A 470 49.290 -16.070 -0.745 1.00 1.00 C ATOM 676 CD1 LEU A 470 48.360 -14.922 -1.142 1.00 1.00 C ATOM 677 CD2 LEU A 470 48.990 -17.291 -1.617 1.00 1.00 C ATOM 0 H LEU A 470 50.205 -13.343 -1.632 1.00 1.00 H new ATOM 0 HA LEU A 470 50.545 -14.545 0.894 1.00 1.00 H new ATOM 0 HB2 LEU A 470 50.915 -15.390 -1.996 1.00 1.00 H new ATOM 0 HB3 LEU A 470 51.413 -16.471 -0.710 1.00 1.00 H new ATOM 0 HG LEU A 470 49.130 -16.321 0.303 1.00 1.00 H new ATOM 0 HD11 LEU A 470 47.324 -15.226 -0.996 1.00 1.00 H new ATOM 0 HD12 LEU A 470 48.573 -14.050 -0.523 1.00 1.00 H new ATOM 0 HD13 LEU A 470 48.520 -14.670 -2.190 1.00 1.00 H new ATOM 0 HD21 LEU A 470 47.954 -17.596 -1.472 1.00 1.00 H new ATOM 0 HD22 LEU A 470 49.151 -17.038 -2.665 1.00 1.00 H new ATOM 0 HD23 LEU A 470 49.652 -18.110 -1.336 1.00 1.00 H new ATOM 689 N ARG A 471 53.309 -13.863 -0.772 1.00 1.00 N ATOM 690 CA ARG A 471 54.757 -13.757 -0.635 1.00 1.00 C ATOM 691 C ARG A 471 55.126 -12.608 0.297 1.00 1.00 C ATOM 692 O ARG A 471 54.472 -11.566 0.304 1.00 1.00 O ATOM 693 CB ARG A 471 55.397 -13.530 -2.007 1.00 1.00 C ATOM 694 CG ARG A 471 55.237 -14.790 -2.860 1.00 1.00 C ATOM 695 CD ARG A 471 55.849 -14.554 -4.241 1.00 1.00 C ATOM 696 NE ARG A 471 55.683 -15.737 -5.076 1.00 1.00 N ATOM 697 CZ ARG A 471 56.578 -16.721 -5.064 1.00 1.00 C ATOM 698 NH1 ARG A 471 57.623 -16.648 -4.284 1.00 1.00 N ATOM 699 NH2 ARG A 471 56.408 -17.765 -5.828 1.00 1.00 N ATOM 0 H ARG A 471 52.938 -13.514 -1.656 1.00 1.00 H new ATOM 0 HA ARG A 471 55.131 -14.688 -0.209 1.00 1.00 H new ATOM 0 HB2 ARG A 471 54.928 -12.680 -2.503 1.00 1.00 H new ATOM 0 HB3 ARG A 471 56.453 -13.288 -1.892 1.00 1.00 H new ATOM 0 HG2 ARG A 471 55.725 -15.635 -2.374 1.00 1.00 H new ATOM 0 HG3 ARG A 471 54.182 -15.044 -2.957 1.00 1.00 H new ATOM 0 HD2 ARG A 471 55.373 -13.696 -4.715 1.00 1.00 H new ATOM 0 HD3 ARG A 471 56.908 -14.316 -4.141 1.00 1.00 H new ATOM 0 HE ARG A 471 54.865 -15.812 -5.681 1.00 1.00 H new ATOM 0 HH11 ARG A 471 57.754 -15.835 -3.682 1.00 1.00 H new ATOM 0 HH12 ARG A 471 58.308 -17.404 -4.277 1.00 1.00 H new ATOM 0 HH21 ARG A 471 55.590 -17.826 -6.434 1.00 1.00 H new ATOM 0 HH22 ARG A 471 57.094 -18.520 -5.820 1.00 1.00 H new ATOM 713 N ARG A 472 56.179 -12.807 1.083 1.00 1.00 N ATOM 714 CA ARG A 472 56.630 -11.780 2.016 1.00 1.00 C ATOM 715 C ARG A 472 57.590 -10.816 1.329 1.00 1.00 C ATOM 716 O ARG A 472 58.421 -11.224 0.518 1.00 1.00 O ATOM 717 CB ARG A 472 57.326 -12.432 3.212 1.00 1.00 C ATOM 718 CG ARG A 472 56.318 -13.280 3.991 1.00 1.00 C ATOM 719 CD ARG A 472 57.014 -13.933 5.186 1.00 1.00 C ATOM 720 NE ARG A 472 58.007 -14.897 4.727 1.00 1.00 N ATOM 721 CZ ARG A 472 57.659 -16.138 4.401 1.00 1.00 C ATOM 722 NH1 ARG A 472 56.413 -16.510 4.489 1.00 1.00 N ATOM 723 NH2 ARG A 472 58.567 -16.983 3.993 1.00 1.00 N ATOM 0 H ARG A 472 56.733 -13.663 1.093 1.00 1.00 H new ATOM 0 HA ARG A 472 55.760 -11.222 2.362 1.00 1.00 H new ATOM 0 HB2 ARG A 472 58.153 -13.054 2.870 1.00 1.00 H new ATOM 0 HB3 ARG A 472 57.751 -11.666 3.861 1.00 1.00 H new ATOM 0 HG2 ARG A 472 55.492 -12.657 4.334 1.00 1.00 H new ATOM 0 HG3 ARG A 472 55.893 -14.045 3.342 1.00 1.00 H new ATOM 0 HD2 ARG A 472 57.494 -13.169 5.798 1.00 1.00 H new ATOM 0 HD3 ARG A 472 56.278 -14.431 5.817 1.00 1.00 H new ATOM 0 HE ARG A 472 58.984 -14.615 4.655 1.00 1.00 H new ATOM 0 HH11 ARG A 472 55.705 -15.849 4.808 1.00 1.00 H new ATOM 0 HH12 ARG A 472 56.146 -17.462 4.239 1.00 1.00 H new ATOM 0 HH21 ARG A 472 59.542 -16.691 3.925 1.00 1.00 H new ATOM 0 HH22 ARG A 472 58.301 -17.935 3.743 1.00 1.00 H new ATOM 737 N LYS A 473 57.470 -9.534 1.658 1.00 1.00 N ATOM 738 CA LYS A 473 58.334 -8.520 1.065 1.00 1.00 C ATOM 739 C LYS A 473 59.787 -8.985 1.067 1.00 1.00 C ATOM 740 O LYS A 473 60.100 -9.878 1.837 1.00 1.00 O ATOM 741 CB LYS A 473 58.215 -7.210 1.846 1.00 1.00 C ATOM 742 CG LYS A 473 56.821 -6.615 1.637 1.00 1.00 C ATOM 743 CD LYS A 473 56.700 -5.306 2.419 1.00 1.00 C ATOM 744 CE LYS A 473 55.338 -4.668 2.141 1.00 1.00 C ATOM 745 NZ LYS A 473 54.257 -5.570 2.631 1.00 1.00 N ATOM 746 OXT LYS A 473 60.564 -8.441 0.301 1.00 1.00 O ATOM 0 H LYS A 473 56.789 -9.175 2.327 1.00 1.00 H new ATOM 0 HA LYS A 473 58.017 -8.359 0.035 1.00 1.00 H new ATOM 0 HB2 LYS A 473 58.390 -7.390 2.907 1.00 1.00 H new ATOM 0 HB3 LYS A 473 58.976 -6.505 1.512 1.00 1.00 H new ATOM 0 HG2 LYS A 473 56.647 -6.434 0.576 1.00 1.00 H new ATOM 0 HG3 LYS A 473 56.060 -7.321 1.969 1.00 1.00 H new ATOM 0 HD2 LYS A 473 56.813 -5.496 3.486 1.00 1.00 H new ATOM 0 HD3 LYS A 473 57.499 -4.623 2.131 1.00 1.00 H new ATOM 0 HE2 LYS A 473 55.270 -3.699 2.636 1.00 1.00 H new ATOM 0 HE3 LYS A 473 55.220 -4.488 1.072 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 53.373 -5.031 2.727 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 54.118 -6.346 1.952 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 54.525 -5.963 3.556 1.00 1.00 H new TER 760 LYS A 473