USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=7 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 Set 1.1: A 438 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot -26:sc= 1.06 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 453 THR OG1 : rot 98:sc= 1.29 USER MOD Single : A 463 CYS SG : rot -39:sc= -0.829 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 26.189 31.552 17.334 1.00 1.00 N ATOM 2 CA GLY A 430 26.965 30.883 18.417 1.00 1.00 C ATOM 3 C GLY A 430 28.358 30.532 17.907 1.00 1.00 C ATOM 4 O GLY A 430 28.521 29.624 17.092 1.00 1.00 O ATOM 0 HA2 GLY A 430 27.039 31.540 19.284 1.00 1.00 H new ATOM 0 HA3 GLY A 430 26.448 29.981 18.744 1.00 1.00 H new ATOM 10 N LYS A 431 29.360 31.257 18.392 1.00 1.00 N ATOM 11 CA LYS A 431 30.737 31.011 17.978 1.00 1.00 C ATOM 12 C LYS A 431 31.180 29.611 18.393 1.00 1.00 C ATOM 13 O LYS A 431 31.844 28.909 17.630 1.00 1.00 O ATOM 14 CB LYS A 431 31.667 32.050 18.610 1.00 1.00 C ATOM 15 CG LYS A 431 31.374 33.428 18.014 1.00 1.00 C ATOM 16 CD LYS A 431 32.295 34.467 18.658 1.00 1.00 C ATOM 17 CE LYS A 431 32.009 35.845 18.058 1.00 1.00 C ATOM 18 NZ LYS A 431 32.902 36.856 18.693 1.00 1.00 N ATOM 0 H LYS A 431 29.247 32.014 19.067 1.00 1.00 H new ATOM 0 HA LYS A 431 30.789 31.090 16.892 1.00 1.00 H new ATOM 0 HB2 LYS A 431 31.524 32.072 19.690 1.00 1.00 H new ATOM 0 HB3 LYS A 431 32.707 31.779 18.431 1.00 1.00 H new ATOM 0 HG2 LYS A 431 31.527 33.410 16.935 1.00 1.00 H new ATOM 0 HG3 LYS A 431 30.331 33.695 18.184 1.00 1.00 H new ATOM 0 HD2 LYS A 431 32.138 34.489 19.736 1.00 1.00 H new ATOM 0 HD3 LYS A 431 33.338 34.196 18.493 1.00 1.00 H new ATOM 0 HE2 LYS A 431 32.172 35.826 16.980 1.00 1.00 H new ATOM 0 HE3 LYS A 431 30.965 36.114 18.218 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 32.709 37.794 18.286 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 32.726 36.880 19.718 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 33.895 36.601 18.518 1.00 1.00 H new ATOM 32 N ARG A 432 30.813 29.215 19.608 1.00 1.00 N ATOM 33 CA ARG A 432 31.186 27.898 20.113 1.00 1.00 C ATOM 34 C ARG A 432 30.535 26.799 19.281 1.00 1.00 C ATOM 35 O ARG A 432 31.154 25.775 18.995 1.00 1.00 O ATOM 36 CB ARG A 432 30.750 27.757 21.572 1.00 1.00 C ATOM 37 CG ARG A 432 31.623 28.649 22.455 1.00 1.00 C ATOM 38 CD ARG A 432 31.160 28.538 23.908 1.00 1.00 C ATOM 39 NE ARG A 432 29.842 29.138 24.064 1.00 1.00 N ATOM 40 CZ ARG A 432 29.221 29.135 25.239 1.00 1.00 C ATOM 41 NH1 ARG A 432 29.792 28.590 26.277 1.00 1.00 N ATOM 42 NH2 ARG A 432 28.040 29.680 25.354 1.00 1.00 N ATOM 0 H ARG A 432 30.264 29.780 20.255 1.00 1.00 H new ATOM 0 HA ARG A 432 32.269 27.798 20.043 1.00 1.00 H new ATOM 0 HB2 ARG A 432 29.702 28.037 21.678 1.00 1.00 H new ATOM 0 HB3 ARG A 432 30.836 26.718 21.889 1.00 1.00 H new ATOM 0 HG2 ARG A 432 32.668 28.350 22.371 1.00 1.00 H new ATOM 0 HG3 ARG A 432 31.559 29.684 22.120 1.00 1.00 H new ATOM 0 HD2 ARG A 432 31.128 27.491 24.208 1.00 1.00 H new ATOM 0 HD3 ARG A 432 31.874 29.036 24.564 1.00 1.00 H new ATOM 0 HE ARG A 432 29.388 29.568 23.258 1.00 1.00 H new ATOM 0 HH11 ARG A 432 30.715 28.166 26.187 1.00 1.00 H new ATOM 0 HH12 ARG A 432 29.315 28.588 27.179 1.00 1.00 H new ATOM 0 HH21 ARG A 432 27.594 30.108 24.542 1.00 1.00 H new ATOM 0 HH22 ARG A 432 27.563 29.678 26.256 1.00 1.00 H new ATOM 56 N SER A 433 29.281 27.015 18.894 1.00 1.00 N ATOM 57 CA SER A 433 28.562 26.029 18.095 1.00 1.00 C ATOM 58 C SER A 433 29.046 26.052 16.648 1.00 1.00 C ATOM 59 O SER A 433 29.594 27.051 16.184 1.00 1.00 O ATOM 60 CB SER A 433 27.061 26.316 18.138 1.00 1.00 C ATOM 61 OG SER A 433 26.796 27.532 17.450 1.00 1.00 O ATOM 0 H SER A 433 28.747 27.855 19.118 1.00 1.00 H new ATOM 0 HA SER A 433 28.755 25.041 18.514 1.00 1.00 H new ATOM 0 HB2 SER A 433 26.509 25.496 17.678 1.00 1.00 H new ATOM 0 HB3 SER A 433 26.722 26.388 19.171 1.00 1.00 H new ATOM 0 HG SER A 433 27.592 28.103 17.477 1.00 1.00 H new ATOM 67 N TRP A 434 28.833 24.944 15.944 1.00 1.00 N ATOM 68 CA TRP A 434 29.245 24.837 14.547 1.00 1.00 C ATOM 69 C TRP A 434 28.026 24.770 13.633 1.00 1.00 C ATOM 70 O TRP A 434 27.005 24.180 13.988 1.00 1.00 O ATOM 71 CB TRP A 434 30.100 23.584 14.351 1.00 1.00 C ATOM 72 CG TRP A 434 31.386 23.737 15.098 1.00 1.00 C ATOM 73 CD1 TRP A 434 31.681 23.126 16.268 1.00 1.00 C ATOM 74 CD2 TRP A 434 32.552 24.539 14.750 1.00 1.00 C ATOM 75 NE1 TRP A 434 32.953 23.502 16.661 1.00 1.00 N ATOM 76 CE2 TRP A 434 33.531 24.372 15.758 1.00 1.00 C ATOM 77 CE3 TRP A 434 32.850 25.388 13.669 1.00 1.00 C ATOM 78 CZ2 TRP A 434 34.763 25.024 15.695 1.00 1.00 C ATOM 79 CZ3 TRP A 434 34.091 26.045 13.602 1.00 1.00 C ATOM 80 CH2 TRP A 434 35.045 25.862 14.614 1.00 1.00 C ATOM 0 H TRP A 434 28.379 24.110 16.316 1.00 1.00 H new ATOM 0 HA TRP A 434 29.829 25.721 14.291 1.00 1.00 H new ATOM 0 HB2 TRP A 434 29.563 22.705 14.707 1.00 1.00 H new ATOM 0 HB3 TRP A 434 30.299 23.429 13.291 1.00 1.00 H new ATOM 0 HD1 TRP A 434 31.030 22.454 16.807 1.00 1.00 H new ATOM 0 HE1 TRP A 434 33.408 23.176 17.514 1.00 1.00 H new ATOM 0 HE3 TRP A 434 32.121 25.536 12.886 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 35.494 24.882 16.477 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 34.311 26.694 12.767 1.00 1.00 H new ATOM 0 HH2 TRP A 434 35.997 26.369 14.557 1.00 1.00 H new ATOM 91 N ASP A 435 28.138 25.370 12.452 1.00 1.00 N ATOM 92 CA ASP A 435 27.036 25.359 11.499 1.00 1.00 C ATOM 93 C ASP A 435 26.753 23.933 11.033 1.00 1.00 C ATOM 94 O ASP A 435 25.601 23.562 10.805 1.00 1.00 O ATOM 95 CB ASP A 435 27.370 26.245 10.295 1.00 1.00 C ATOM 96 CG ASP A 435 28.663 25.776 9.635 1.00 1.00 C ATOM 97 OD1 ASP A 435 29.297 24.889 10.180 1.00 1.00 O ATOM 98 OD2 ASP A 435 29.005 26.318 8.597 1.00 1.00 O ATOM 0 H ASP A 435 28.972 25.865 12.135 1.00 1.00 H new ATOM 0 HA ASP A 435 26.146 25.751 11.992 1.00 1.00 H new ATOM 0 HB2 ASP A 435 26.553 26.213 9.574 1.00 1.00 H new ATOM 0 HB3 ASP A 435 27.472 27.282 10.615 1.00 1.00 H new ATOM 103 N THR A 436 27.813 23.141 10.907 1.00 1.00 N ATOM 104 CA THR A 436 27.686 21.751 10.480 1.00 1.00 C ATOM 105 C THR A 436 28.284 20.825 11.534 1.00 1.00 C ATOM 106 O THR A 436 29.417 21.022 11.971 1.00 1.00 O ATOM 107 CB THR A 436 28.405 21.543 9.145 1.00 1.00 C ATOM 108 OG1 THR A 436 27.826 22.389 8.161 1.00 1.00 O ATOM 109 CG2 THR A 436 28.269 20.084 8.711 1.00 1.00 C ATOM 0 H THR A 436 28.771 23.438 11.095 1.00 1.00 H new ATOM 0 HA THR A 436 26.628 21.518 10.356 1.00 1.00 H new ATOM 0 HB THR A 436 29.461 21.787 9.259 1.00 1.00 H new ATOM 0 HG1 THR A 436 28.286 22.259 7.306 1.00 1.00 H new ATOM 0 HG21 THR A 436 28.782 19.938 7.760 1.00 1.00 H new ATOM 0 HG22 THR A 436 28.714 19.437 9.467 1.00 1.00 H new ATOM 0 HG23 THR A 436 27.214 19.835 8.596 1.00 1.00 H new ATOM 117 N GLU A 437 27.516 19.822 11.945 1.00 1.00 N ATOM 118 CA GLU A 437 27.990 18.885 12.956 1.00 1.00 C ATOM 119 C GLU A 437 29.171 18.078 12.427 1.00 1.00 C ATOM 120 O GLU A 437 30.148 17.851 13.141 1.00 1.00 O ATOM 121 CB GLU A 437 26.856 17.937 13.359 1.00 1.00 C ATOM 122 CG GLU A 437 27.330 17.007 14.480 1.00 1.00 C ATOM 123 CD GLU A 437 26.187 16.098 14.919 1.00 1.00 C ATOM 124 OE1 GLU A 437 25.055 16.391 14.569 1.00 1.00 O ATOM 125 OE2 GLU A 437 26.460 15.123 15.599 1.00 1.00 O ATOM 0 H GLU A 437 26.574 19.638 11.599 1.00 1.00 H new ATOM 0 HA GLU A 437 28.316 19.452 13.828 1.00 1.00 H new ATOM 0 HB2 GLU A 437 25.991 18.511 13.692 1.00 1.00 H new ATOM 0 HB3 GLU A 437 26.537 17.350 12.498 1.00 1.00 H new ATOM 0 HG2 GLU A 437 28.172 16.406 14.135 1.00 1.00 H new ATOM 0 HG3 GLU A 437 27.684 17.595 15.327 1.00 1.00 H new ATOM 132 N SER A 438 29.080 17.651 11.172 1.00 1.00 N ATOM 133 CA SER A 438 30.155 16.874 10.565 1.00 1.00 C ATOM 134 C SER A 438 31.348 17.768 10.240 1.00 1.00 C ATOM 135 O SER A 438 31.180 18.917 9.829 1.00 1.00 O ATOM 136 CB SER A 438 29.654 16.202 9.286 1.00 1.00 C ATOM 137 OG SER A 438 28.865 15.070 9.629 1.00 1.00 O ATOM 0 H SER A 438 28.283 17.827 10.561 1.00 1.00 H new ATOM 0 HA SER A 438 30.472 16.111 11.276 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.065 16.906 8.698 1.00 1.00 H new ATOM 0 HB3 SER A 438 30.498 15.898 8.667 1.00 1.00 H new ATOM 0 HG SER A 438 28.541 14.638 8.812 1.00 1.00 H new ATOM 143 N VAL A 439 32.550 17.232 10.416 1.00 1.00 N ATOM 144 CA VAL A 439 33.761 17.989 10.127 1.00 1.00 C ATOM 145 C VAL A 439 33.846 18.302 8.636 1.00 1.00 C ATOM 146 O VAL A 439 34.218 19.408 8.242 1.00 1.00 O ATOM 147 CB VAL A 439 34.993 17.189 10.554 1.00 1.00 C ATOM 148 CG1 VAL A 439 34.892 16.850 12.042 1.00 1.00 C ATOM 149 CG2 VAL A 439 35.067 15.895 9.741 1.00 1.00 C ATOM 0 H VAL A 439 32.711 16.284 10.755 1.00 1.00 H new ATOM 0 HA VAL A 439 33.728 18.925 10.685 1.00 1.00 H new ATOM 0 HB VAL A 439 35.890 17.782 10.377 1.00 1.00 H new ATOM 0 HG11 VAL A 439 35.770 16.280 12.346 1.00 1.00 H new ATOM 0 HG12 VAL A 439 34.839 17.771 12.622 1.00 1.00 H new ATOM 0 HG13 VAL A 439 33.995 16.257 12.220 1.00 1.00 H new ATOM 0 HG21 VAL A 439 35.945 15.324 10.045 1.00 1.00 H new ATOM 0 HG22 VAL A 439 34.170 15.302 9.918 1.00 1.00 H new ATOM 0 HG23 VAL A 439 35.140 16.135 8.680 1.00 1.00 H new ATOM 159 N LEU A 440 33.501 17.312 7.819 1.00 1.00 N ATOM 160 CA LEU A 440 33.538 17.467 6.368 1.00 1.00 C ATOM 161 C LEU A 440 32.192 17.037 5.768 1.00 1.00 C ATOM 162 O LEU A 440 31.414 16.362 6.440 1.00 1.00 O ATOM 163 CB LEU A 440 34.666 16.593 5.805 1.00 1.00 C ATOM 164 CG LEU A 440 35.986 17.368 5.827 1.00 1.00 C ATOM 165 CD1 LEU A 440 37.146 16.389 6.027 1.00 1.00 C ATOM 166 CD2 LEU A 440 36.175 18.109 4.501 1.00 1.00 C ATOM 0 H LEU A 440 33.192 16.393 8.137 1.00 1.00 H new ATOM 0 HA LEU A 440 33.720 18.510 6.110 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.760 15.681 6.394 1.00 1.00 H new ATOM 0 HB3 LEU A 440 34.429 16.290 4.785 1.00 1.00 H new ATOM 0 HG LEU A 440 35.965 18.089 6.644 1.00 1.00 H new ATOM 0 HD11 LEU A 440 38.087 16.938 6.043 1.00 1.00 H new ATOM 0 HD12 LEU A 440 37.018 15.861 6.972 1.00 1.00 H new ATOM 0 HD13 LEU A 440 37.160 15.669 5.208 1.00 1.00 H new ATOM 0 HD21 LEU A 440 37.116 18.659 4.522 1.00 1.00 H new ATOM 0 HD22 LEU A 440 36.193 17.390 3.682 1.00 1.00 H new ATOM 0 HD23 LEU A 440 35.351 18.807 4.353 1.00 1.00 H new ATOM 178 N PRO A 441 31.887 17.388 4.531 1.00 1.00 N ATOM 179 CA PRO A 441 30.593 16.979 3.907 1.00 1.00 C ATOM 180 C PRO A 441 30.448 15.461 3.853 1.00 1.00 C ATOM 181 O PRO A 441 31.430 14.736 3.693 1.00 1.00 O ATOM 182 CB PRO A 441 30.643 17.563 2.492 1.00 1.00 C ATOM 183 CG PRO A 441 31.714 18.599 2.509 1.00 1.00 C ATOM 184 CD PRO A 441 32.700 18.205 3.606 1.00 1.00 C ATOM 0 HA PRO A 441 29.740 17.340 4.482 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.863 16.788 1.758 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.683 18.000 2.217 1.00 1.00 H new ATOM 0 HG2 PRO A 441 32.214 18.652 1.542 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.293 19.585 2.705 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.540 17.639 3.205 1.00 1.00 H new ATOM 0 HD3 PRO A 441 33.115 19.081 4.105 1.00 1.00 H new ATOM 192 N MET A 442 29.216 14.988 4.010 1.00 1.00 N ATOM 193 CA MET A 442 28.951 13.555 4.000 1.00 1.00 C ATOM 194 C MET A 442 29.279 12.939 2.644 1.00 1.00 C ATOM 195 O MET A 442 29.830 11.842 2.574 1.00 1.00 O ATOM 196 CB MET A 442 27.479 13.298 4.334 1.00 1.00 C ATOM 197 CG MET A 442 27.203 13.723 5.779 1.00 1.00 C ATOM 198 SD MET A 442 25.466 13.409 6.184 1.00 1.00 S ATOM 199 CE MET A 442 25.440 14.283 7.770 1.00 1.00 C ATOM 0 H MET A 442 28.391 15.572 4.145 1.00 1.00 H new ATOM 0 HA MET A 442 29.589 13.090 4.751 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.837 13.854 3.651 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.244 12.242 4.203 1.00 1.00 H new ATOM 0 HG2 MET A 442 27.851 13.172 6.461 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.431 14.781 5.907 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.443 14.216 8.206 1.00 1.00 H new ATOM 0 HE2 MET A 442 26.164 13.829 8.447 1.00 1.00 H new ATOM 0 HE3 MET A 442 25.698 15.330 7.613 1.00 1.00 H new ATOM 209 N TRP A 443 28.937 13.640 1.567 1.00 1.00 N ATOM 210 CA TRP A 443 29.206 13.121 0.232 1.00 1.00 C ATOM 211 C TRP A 443 30.710 13.003 -0.018 1.00 1.00 C ATOM 212 O TRP A 443 31.162 12.045 -0.648 1.00 1.00 O ATOM 213 CB TRP A 443 28.531 13.995 -0.831 1.00 1.00 C ATOM 214 CG TRP A 443 28.935 15.426 -0.674 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.304 16.328 0.113 1.00 1.00 C ATOM 216 CD2 TRP A 443 30.015 16.144 -1.335 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.945 17.548 -0.004 1.00 1.00 N ATOM 218 CE2 TRP A 443 30.003 17.486 -0.887 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.999 15.763 -2.264 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.935 18.418 -1.346 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.938 16.699 -2.730 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.906 18.024 -2.270 1.00 1.00 C ATOM 0 H TRP A 443 28.481 14.552 1.591 1.00 1.00 H new ATOM 0 HA TRP A 443 28.783 12.119 0.162 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.804 13.642 -1.826 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.448 13.907 -0.747 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.441 16.128 0.731 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.669 18.390 0.501 1.00 1.00 H new ATOM 0 HE3 TRP A 443 31.034 14.745 -2.622 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.906 19.437 -0.989 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.688 16.397 -3.446 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.631 18.739 -2.630 1.00 1.00 H new ATOM 233 N VAL A 444 31.488 13.954 0.495 1.00 1.00 N ATOM 234 CA VAL A 444 32.940 13.899 0.327 1.00 1.00 C ATOM 235 C VAL A 444 33.500 12.665 1.024 1.00 1.00 C ATOM 236 O VAL A 444 34.334 11.947 0.472 1.00 1.00 O ATOM 237 CB VAL A 444 33.603 15.147 0.918 1.00 1.00 C ATOM 238 CG1 VAL A 444 35.117 14.931 1.000 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.326 16.352 0.022 1.00 1.00 C ATOM 0 H VAL A 444 31.146 14.758 1.021 1.00 1.00 H new ATOM 0 HA VAL A 444 33.154 13.852 -0.741 1.00 1.00 H new ATOM 0 HB VAL A 444 33.198 15.327 1.914 1.00 1.00 H new ATOM 0 HG11 VAL A 444 35.589 15.819 1.421 1.00 1.00 H new ATOM 0 HG12 VAL A 444 35.328 14.072 1.637 1.00 1.00 H new ATOM 0 HG13 VAL A 444 35.513 14.748 0.001 1.00 1.00 H new ATOM 0 HG21 VAL A 444 33.799 17.237 0.446 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.730 16.166 -0.973 1.00 1.00 H new ATOM 0 HG23 VAL A 444 32.250 16.514 -0.048 1.00 1.00 H new ATOM 249 N LEU A 445 33.031 12.431 2.244 1.00 1.00 N ATOM 250 CA LEU A 445 33.481 11.285 3.029 1.00 1.00 C ATOM 251 C LEU A 445 33.113 9.982 2.334 1.00 1.00 C ATOM 252 O LEU A 445 33.889 9.027 2.313 1.00 1.00 O ATOM 253 CB LEU A 445 32.849 11.328 4.424 1.00 1.00 C ATOM 254 CG LEU A 445 33.308 10.128 5.270 1.00 1.00 C ATOM 255 CD1 LEU A 445 34.836 10.122 5.392 1.00 1.00 C ATOM 256 CD2 LEU A 445 32.689 10.237 6.667 1.00 1.00 C ATOM 0 H LEU A 445 32.340 13.018 2.712 1.00 1.00 H new ATOM 0 HA LEU A 445 34.566 11.334 3.123 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.123 12.257 4.924 1.00 1.00 H new ATOM 0 HB3 LEU A 445 31.763 11.322 4.336 1.00 1.00 H new ATOM 0 HG LEU A 445 32.987 9.204 4.789 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.150 9.268 5.993 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.280 10.050 4.399 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.166 11.044 5.871 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.009 9.390 7.274 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.015 11.165 7.138 1.00 1.00 H new ATOM 0 HD23 LEU A 445 31.602 10.234 6.585 1.00 1.00 H new ATOM 268 N ALA A 446 31.899 9.950 1.798 1.00 1.00 N ATOM 269 CA ALA A 446 31.391 8.760 1.134 1.00 1.00 C ATOM 270 C ALA A 446 32.242 8.353 -0.064 1.00 1.00 C ATOM 271 O ALA A 446 32.519 7.177 -0.284 1.00 1.00 O ATOM 272 CB ALA A 446 29.964 9.019 0.662 1.00 1.00 C ATOM 0 H ALA A 446 31.249 10.736 1.811 1.00 1.00 H new ATOM 0 HA ALA A 446 31.423 7.944 1.856 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.579 8.130 0.163 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.334 9.256 1.520 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.958 9.857 -0.035 1.00 1.00 H new ATOM 278 N LEU A 447 32.657 9.356 -0.837 1.00 1.00 N ATOM 279 CA LEU A 447 33.478 9.126 -2.020 1.00 1.00 C ATOM 280 C LEU A 447 34.827 8.508 -1.655 1.00 1.00 C ATOM 281 O LEU A 447 35.315 7.620 -2.356 1.00 1.00 O ATOM 282 CB LEU A 447 33.694 10.445 -2.771 1.00 1.00 C ATOM 283 CG LEU A 447 32.391 10.885 -3.462 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.543 12.303 -4.027 1.00 1.00 C ATOM 285 CD2 LEU A 447 32.053 9.921 -4.608 1.00 1.00 C ATOM 0 H LEU A 447 32.436 10.337 -0.663 1.00 1.00 H new ATOM 0 HA LEU A 447 32.949 8.422 -2.663 1.00 1.00 H new ATOM 0 HB2 LEU A 447 34.024 11.217 -2.076 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.484 10.324 -3.512 1.00 1.00 H new ATOM 0 HG LEU A 447 31.588 10.873 -2.725 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.615 12.602 -4.513 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.768 12.996 -3.216 1.00 1.00 H new ATOM 0 HD13 LEU A 447 33.355 12.320 -4.754 1.00 1.00 H new ATOM 0 HD21 LEU A 447 31.130 10.240 -5.091 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.864 9.924 -5.337 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.926 8.914 -4.211 1.00 1.00 H new ATOM 297 N ILE A 448 35.431 8.999 -0.575 1.00 1.00 N ATOM 298 CA ILE A 448 36.736 8.513 -0.134 1.00 1.00 C ATOM 299 C ILE A 448 36.647 7.031 0.228 1.00 1.00 C ATOM 300 O ILE A 448 37.523 6.238 -0.119 1.00 1.00 O ATOM 301 CB ILE A 448 37.195 9.296 1.103 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.474 10.770 0.740 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.455 8.650 1.692 1.00 1.00 C ATOM 304 CD1 ILE A 448 38.579 10.888 -0.319 1.00 1.00 C ATOM 0 H ILE A 448 35.037 9.734 0.012 1.00 1.00 H new ATOM 0 HA ILE A 448 37.450 8.652 -0.946 1.00 1.00 H new ATOM 0 HB ILE A 448 36.399 9.270 1.847 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.560 11.233 0.368 1.00 1.00 H new ATOM 0 HG13 ILE A 448 37.767 11.317 1.636 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.775 9.211 2.570 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.236 7.621 1.979 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.250 8.658 0.947 1.00 1.00 H new ATOM 0 HD11 ILE A 448 38.750 11.939 -0.551 1.00 1.00 H new ATOM 0 HD12 ILE A 448 39.499 10.447 0.064 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.274 10.362 -1.223 1.00 1.00 H new ATOM 316 N VAL A 449 35.583 6.669 0.939 1.00 1.00 N ATOM 317 CA VAL A 449 35.404 5.284 1.347 1.00 1.00 C ATOM 318 C VAL A 449 35.310 4.389 0.118 1.00 1.00 C ATOM 319 O VAL A 449 35.908 3.319 0.084 1.00 1.00 O ATOM 320 CB VAL A 449 34.140 5.133 2.204 1.00 1.00 C ATOM 321 CG1 VAL A 449 33.827 3.646 2.425 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.382 5.794 3.560 1.00 1.00 C ATOM 0 H VAL A 449 34.844 7.305 1.239 1.00 1.00 H new ATOM 0 HA VAL A 449 36.265 4.984 1.944 1.00 1.00 H new ATOM 0 HB VAL A 449 33.300 5.605 1.694 1.00 1.00 H new ATOM 0 HG11 VAL A 449 32.928 3.550 3.034 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.666 3.161 1.462 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.664 3.170 2.936 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.490 5.693 4.178 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.224 5.310 4.056 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.605 6.851 3.415 1.00 1.00 H new ATOM 332 N ILE A 450 34.546 4.811 -0.887 1.00 1.00 N ATOM 333 CA ILE A 450 34.375 4.001 -2.093 1.00 1.00 C ATOM 334 C ILE A 450 35.721 3.810 -2.817 1.00 1.00 C ATOM 335 O ILE A 450 36.032 2.710 -3.267 1.00 1.00 O ATOM 336 CB ILE A 450 33.386 4.678 -3.048 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.993 4.720 -2.393 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.320 3.845 -4.337 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.054 5.598 -3.225 1.00 1.00 C ATOM 0 H ILE A 450 34.041 5.697 -0.893 1.00 1.00 H new ATOM 0 HA ILE A 450 33.989 3.027 -1.793 1.00 1.00 H new ATOM 0 HB ILE A 450 33.707 5.695 -3.271 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.588 3.711 -2.314 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.070 5.113 -1.379 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.621 4.308 -5.034 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.309 3.800 -4.792 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.983 2.836 -4.101 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.070 5.624 -2.757 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.456 6.610 -3.281 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.967 5.186 -4.230 1.00 1.00 H new ATOM 351 N PHE A 451 36.517 4.878 -2.934 1.00 1.00 N ATOM 352 CA PHE A 451 37.808 4.733 -3.621 1.00 1.00 C ATOM 353 C PHE A 451 38.689 3.710 -2.901 1.00 1.00 C ATOM 354 O PHE A 451 39.281 2.836 -3.529 1.00 1.00 O ATOM 355 CB PHE A 451 38.554 6.069 -3.707 1.00 1.00 C ATOM 356 CG PHE A 451 37.897 6.960 -4.734 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.901 6.590 -6.087 1.00 1.00 C ATOM 358 CD2 PHE A 451 37.288 8.156 -4.340 1.00 1.00 C ATOM 359 CE1 PHE A 451 37.297 7.414 -7.040 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.685 8.981 -5.296 1.00 1.00 C ATOM 361 CZ PHE A 451 36.689 8.610 -6.645 1.00 1.00 C ATOM 0 H PHE A 451 36.307 5.812 -2.581 1.00 1.00 H new ATOM 0 HA PHE A 451 37.597 4.387 -4.633 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.553 6.559 -2.734 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.596 5.897 -3.976 1.00 1.00 H new ATOM 0 HD1 PHE A 451 38.372 5.667 -6.392 1.00 1.00 H new ATOM 0 HD2 PHE A 451 37.283 8.443 -3.299 1.00 1.00 H new ATOM 0 HE1 PHE A 451 37.300 7.128 -8.081 1.00 1.00 H new ATOM 0 HE2 PHE A 451 36.216 9.905 -4.992 1.00 1.00 H new ATOM 0 HZ PHE A 451 36.222 9.247 -7.382 1.00 1.00 H new ATOM 371 N LEU A 452 38.766 3.821 -1.580 1.00 1.00 N ATOM 372 CA LEU A 452 39.559 2.896 -0.771 1.00 1.00 C ATOM 373 C LEU A 452 38.974 1.483 -0.820 1.00 1.00 C ATOM 374 O LEU A 452 39.713 0.501 -0.880 1.00 1.00 O ATOM 375 CB LEU A 452 39.606 3.392 0.684 1.00 1.00 C ATOM 376 CG LEU A 452 40.427 2.431 1.561 1.00 1.00 C ATOM 377 CD1 LEU A 452 41.843 2.287 0.998 1.00 1.00 C ATOM 378 CD2 LEU A 452 40.510 2.986 2.988 1.00 1.00 C ATOM 0 H LEU A 452 38.288 4.544 -1.043 1.00 1.00 H new ATOM 0 HA LEU A 452 40.569 2.860 -1.179 1.00 1.00 H new ATOM 0 HB2 LEU A 452 40.045 4.389 0.719 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.593 3.476 1.078 1.00 1.00 H new ATOM 0 HG LEU A 452 39.940 1.456 1.569 1.00 1.00 H new ATOM 0 HD11 LEU A 452 42.416 1.605 1.626 1.00 1.00 H new ATOM 0 HD12 LEU A 452 41.793 1.891 -0.016 1.00 1.00 H new ATOM 0 HD13 LEU A 452 42.330 3.262 0.983 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.092 2.305 3.610 1.00 1.00 H new ATOM 0 HD22 LEU A 452 40.992 3.963 2.971 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.505 3.084 3.399 1.00 1.00 H new ATOM 390 N THR A 453 37.648 1.390 -0.767 1.00 1.00 N ATOM 391 CA THR A 453 36.986 0.087 -0.772 1.00 1.00 C ATOM 392 C THR A 453 37.232 -0.695 -2.061 1.00 1.00 C ATOM 393 O THR A 453 37.547 -1.886 -2.018 1.00 1.00 O ATOM 394 CB THR A 453 35.480 0.271 -0.579 1.00 1.00 C ATOM 395 OG1 THR A 453 35.236 0.880 0.681 1.00 1.00 O ATOM 396 CG2 THR A 453 34.791 -1.093 -0.633 1.00 1.00 C ATOM 0 H THR A 453 37.017 2.190 -0.721 1.00 1.00 H new ATOM 0 HA THR A 453 37.413 -0.488 0.050 1.00 1.00 H new ATOM 0 HB THR A 453 35.085 0.908 -1.370 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.103 1.843 0.558 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.717 -0.964 -0.496 1.00 1.00 H new ATOM 0 HG22 THR A 453 34.980 -1.558 -1.601 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.184 -1.731 0.159 1.00 1.00 H new ATOM 404 N ILE A 454 37.066 -0.030 -3.203 1.00 1.00 N ATOM 405 CA ILE A 454 37.248 -0.687 -4.495 1.00 1.00 C ATOM 406 C ILE A 454 38.714 -1.025 -4.753 1.00 1.00 C ATOM 407 O ILE A 454 39.036 -2.083 -5.294 1.00 1.00 O ATOM 408 CB ILE A 454 36.687 0.189 -5.626 1.00 1.00 C ATOM 409 CG1 ILE A 454 36.667 -0.608 -6.935 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.547 1.440 -5.808 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.853 0.153 -7.984 1.00 1.00 C ATOM 0 H ILE A 454 36.808 0.955 -3.260 1.00 1.00 H new ATOM 0 HA ILE A 454 36.695 -1.626 -4.471 1.00 1.00 H new ATOM 0 HB ILE A 454 35.673 0.490 -5.363 1.00 1.00 H new ATOM 0 HG12 ILE A 454 37.684 -0.765 -7.293 1.00 1.00 H new ATOM 0 HG13 ILE A 454 36.232 -1.593 -6.767 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.136 2.050 -6.613 1.00 1.00 H new ATOM 0 HG22 ILE A 454 37.552 2.016 -4.883 1.00 1.00 H new ATOM 0 HG23 ILE A 454 38.567 1.147 -6.059 1.00 1.00 H new ATOM 0 HD11 ILE A 454 35.839 -0.414 -8.915 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.832 0.287 -7.625 1.00 1.00 H new ATOM 0 HD13 ILE A 454 36.307 1.128 -8.160 1.00 1.00 H new ATOM 423 N ALA A 455 39.589 -0.100 -4.377 1.00 1.00 N ATOM 424 CA ALA A 455 41.018 -0.296 -4.594 1.00 1.00 C ATOM 425 C ALA A 455 41.542 -1.501 -3.815 1.00 1.00 C ATOM 426 O ALA A 455 42.338 -2.284 -4.330 1.00 1.00 O ATOM 427 CB ALA A 455 41.783 0.957 -4.163 1.00 1.00 C ATOM 0 H ALA A 455 39.340 0.781 -3.927 1.00 1.00 H new ATOM 0 HA ALA A 455 41.172 -0.482 -5.657 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.850 0.806 -4.327 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.443 1.811 -4.749 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.602 1.148 -3.105 1.00 1.00 H new ATOM 433 N VAL A 456 41.091 -1.646 -2.573 1.00 1.00 N ATOM 434 CA VAL A 456 41.528 -2.760 -1.738 1.00 1.00 C ATOM 435 C VAL A 456 41.062 -4.097 -2.303 1.00 1.00 C ATOM 436 O VAL A 456 41.839 -5.051 -2.357 1.00 1.00 O ATOM 437 CB VAL A 456 40.984 -2.591 -0.319 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.273 -3.856 0.493 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.662 -1.391 0.345 1.00 1.00 C ATOM 0 H VAL A 456 40.429 -1.012 -2.125 1.00 1.00 H new ATOM 0 HA VAL A 456 42.618 -2.757 -1.721 1.00 1.00 H new ATOM 0 HB VAL A 456 39.907 -2.425 -0.359 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.885 -3.736 1.505 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.791 -4.711 0.019 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.349 -4.024 0.535 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.276 -1.269 1.357 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.738 -1.558 0.385 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.456 -0.490 -0.233 1.00 1.00 H new ATOM 449 N LEU A 457 39.804 -4.179 -2.722 1.00 1.00 N ATOM 450 CA LEU A 457 39.287 -5.428 -3.267 1.00 1.00 C ATOM 451 C LEU A 457 40.032 -5.820 -4.541 1.00 1.00 C ATOM 452 O LEU A 457 40.381 -6.985 -4.738 1.00 1.00 O ATOM 453 CB LEU A 457 37.794 -5.283 -3.571 1.00 1.00 C ATOM 454 CG LEU A 457 37.007 -5.173 -2.260 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.554 -4.805 -2.569 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.041 -6.508 -1.502 1.00 1.00 C ATOM 0 H LEU A 457 39.134 -3.410 -2.696 1.00 1.00 H new ATOM 0 HA LEU A 457 39.437 -6.211 -2.524 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.622 -4.399 -4.184 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.445 -6.142 -4.145 1.00 1.00 H new ATOM 0 HG LEU A 457 37.463 -4.401 -1.640 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.993 -4.726 -1.638 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.524 -3.849 -3.093 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.109 -5.577 -3.197 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.478 -6.414 -0.573 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.595 -7.288 -2.119 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.074 -6.771 -1.275 1.00 1.00 H new ATOM 468 N LEU A 458 40.270 -4.832 -5.399 1.00 1.00 N ATOM 469 CA LEU A 458 40.977 -5.064 -6.654 1.00 1.00 C ATOM 470 C LEU A 458 42.413 -5.513 -6.410 1.00 1.00 C ATOM 471 O LEU A 458 42.922 -6.390 -7.107 1.00 1.00 O ATOM 472 CB LEU A 458 40.990 -3.792 -7.507 1.00 1.00 C ATOM 473 CG LEU A 458 39.578 -3.489 -8.022 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.571 -2.119 -8.702 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.134 -4.558 -9.030 1.00 1.00 C ATOM 0 H LEU A 458 39.984 -3.865 -5.248 1.00 1.00 H new ATOM 0 HA LEU A 458 40.446 -5.856 -7.182 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.358 -2.953 -6.917 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.673 -3.915 -8.347 1.00 1.00 H new ATOM 0 HG LEU A 458 38.887 -3.491 -7.179 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.568 -1.900 -9.069 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.869 -1.355 -7.984 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.271 -2.124 -9.538 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.130 -4.328 -9.386 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.824 -4.571 -9.874 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.133 -5.535 -8.547 1.00 1.00 H new ATOM 487 N ALA A 459 43.076 -4.889 -5.439 1.00 1.00 N ATOM 488 CA ALA A 459 44.466 -5.217 -5.147 1.00 1.00 C ATOM 489 C ALA A 459 44.624 -6.671 -4.716 1.00 1.00 C ATOM 490 O ALA A 459 45.567 -7.357 -5.109 1.00 1.00 O ATOM 491 CB ALA A 459 44.992 -4.301 -4.042 1.00 1.00 C ATOM 0 H ALA A 459 42.677 -4.161 -4.847 1.00 1.00 H new ATOM 0 HA ALA A 459 45.041 -5.070 -6.062 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.031 -4.550 -3.827 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.927 -3.263 -4.368 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.393 -4.436 -3.141 1.00 1.00 H new ATOM 497 N LEU A 460 43.701 -7.120 -3.874 1.00 1.00 N ATOM 498 CA LEU A 460 43.767 -8.480 -3.364 1.00 1.00 C ATOM 499 C LEU A 460 43.648 -9.499 -4.494 1.00 1.00 C ATOM 500 O LEU A 460 44.397 -10.474 -4.533 1.00 1.00 O ATOM 501 CB LEU A 460 42.643 -8.710 -2.350 1.00 1.00 C ATOM 502 CG LEU A 460 42.912 -7.889 -1.083 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.686 -7.946 -0.172 1.00 1.00 C ATOM 504 CD2 LEU A 460 44.131 -8.444 -0.331 1.00 1.00 C ATOM 0 H LEU A 460 42.911 -6.571 -3.535 1.00 1.00 H new ATOM 0 HA LEU A 460 44.735 -8.613 -2.880 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.685 -8.423 -2.784 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.576 -9.769 -2.101 1.00 1.00 H new ATOM 0 HG LEU A 460 43.115 -6.857 -1.370 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.875 -7.363 0.729 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.824 -7.534 -0.696 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.484 -8.982 0.101 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.307 -7.849 0.565 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.943 -9.480 -0.048 1.00 1.00 H new ATOM 0 HD23 LEU A 460 45.009 -8.397 -0.976 1.00 1.00 H new ATOM 516 N ARG A 461 42.722 -9.275 -5.422 1.00 1.00 N ATOM 517 CA ARG A 461 42.556 -10.200 -6.541 1.00 1.00 C ATOM 518 C ARG A 461 43.781 -10.152 -7.449 1.00 1.00 C ATOM 519 O ARG A 461 44.293 -11.188 -7.877 1.00 1.00 O ATOM 520 CB ARG A 461 41.283 -9.834 -7.323 1.00 1.00 C ATOM 521 CG ARG A 461 41.028 -10.839 -8.460 1.00 1.00 C ATOM 522 CD ARG A 461 41.600 -10.319 -9.787 1.00 1.00 C ATOM 523 NE ARG A 461 40.956 -9.063 -10.153 1.00 1.00 N ATOM 524 CZ ARG A 461 39.776 -9.048 -10.766 1.00 1.00 C ATOM 525 NH1 ARG A 461 39.174 -10.171 -11.050 1.00 1.00 N ATOM 526 NH2 ARG A 461 39.221 -7.911 -11.083 1.00 1.00 N ATOM 0 H ARG A 461 42.086 -8.478 -5.424 1.00 1.00 H new ATOM 0 HA ARG A 461 42.456 -11.216 -6.160 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.428 -9.819 -6.647 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.381 -8.830 -7.735 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.484 -11.798 -8.213 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.957 -11.013 -8.564 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.676 -10.172 -9.695 1.00 1.00 H new ATOM 0 HD3 ARG A 461 41.446 -11.058 -10.573 1.00 1.00 H new ATOM 0 HE ARG A 461 41.419 -8.181 -9.935 1.00 1.00 H new ATOM 0 HH11 ARG A 461 39.609 -11.060 -10.802 1.00 1.00 H new ATOM 0 HH12 ARG A 461 38.269 -10.160 -11.520 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.692 -7.034 -10.861 1.00 1.00 H new ATOM 0 HH22 ARG A 461 38.316 -7.899 -11.553 1.00 1.00 H new ATOM 540 N PHE A 462 44.247 -8.937 -7.729 1.00 1.00 N ATOM 541 CA PHE A 462 45.416 -8.721 -8.578 1.00 1.00 C ATOM 542 C PHE A 462 46.655 -9.343 -7.959 1.00 1.00 C ATOM 543 O PHE A 462 47.424 -10.024 -8.634 1.00 1.00 O ATOM 544 CB PHE A 462 45.643 -7.221 -8.780 1.00 1.00 C ATOM 545 CG PHE A 462 46.845 -7.010 -9.668 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.753 -7.259 -11.043 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.053 -6.564 -9.116 1.00 1.00 C ATOM 548 CE1 PHE A 462 47.869 -7.063 -11.866 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.168 -6.369 -9.940 1.00 1.00 C ATOM 550 CZ PHE A 462 49.076 -6.618 -11.315 1.00 1.00 C ATOM 0 H PHE A 462 43.827 -8.078 -7.375 1.00 1.00 H new ATOM 0 HA PHE A 462 45.231 -9.196 -9.541 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.761 -6.766 -9.230 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.798 -6.733 -7.818 1.00 1.00 H new ATOM 0 HD1 PHE A 462 45.822 -7.602 -11.469 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.124 -6.371 -8.056 1.00 1.00 H new ATOM 0 HE1 PHE A 462 47.798 -7.255 -12.926 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.100 -6.026 -9.515 1.00 1.00 H new ATOM 0 HZ PHE A 462 49.936 -6.467 -11.950 1.00 1.00 H new ATOM 560 N CYS A 463 46.834 -9.124 -6.667 1.00 1.00 N ATOM 561 CA CYS A 463 47.968 -9.669 -5.946 1.00 1.00 C ATOM 562 C CYS A 463 47.734 -11.138 -5.634 1.00 1.00 C ATOM 563 O CYS A 463 48.677 -11.885 -5.374 1.00 1.00 O ATOM 564 CB CYS A 463 48.173 -8.882 -4.652 1.00 1.00 C ATOM 565 SG CYS A 463 47.207 -9.643 -3.328 1.00 1.00 S ATOM 0 H CYS A 463 46.201 -8.567 -6.093 1.00 1.00 H new ATOM 0 HA CYS A 463 48.862 -9.585 -6.564 1.00 1.00 H new ATOM 0 HB2 CYS A 463 49.230 -8.869 -4.385 1.00 1.00 H new ATOM 0 HB3 CYS A 463 47.866 -7.845 -4.791 1.00 1.00 H new ATOM 0 HG CYS A 463 46.060 -10.034 -3.798 1.00 1.00 H new ATOM 571 N GLY A 464 46.472 -11.548 -5.669 1.00 1.00 N ATOM 572 CA GLY A 464 46.145 -12.939 -5.392 1.00 1.00 C ATOM 573 C GLY A 464 46.729 -13.858 -6.461 1.00 1.00 C ATOM 574 O GLY A 464 47.411 -14.833 -6.149 1.00 1.00 O ATOM 0 H GLY A 464 45.673 -10.950 -5.882 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.533 -13.220 -4.413 1.00 1.00 H new ATOM 0 HA3 GLY A 464 45.063 -13.062 -5.353 1.00 1.00 H new ATOM 578 N ILE A 465 46.467 -13.532 -7.724 1.00 1.00 N ATOM 579 CA ILE A 465 46.973 -14.330 -8.839 1.00 1.00 C ATOM 580 C ILE A 465 48.498 -14.296 -8.881 1.00 1.00 C ATOM 581 O ILE A 465 49.143 -15.322 -9.089 1.00 1.00 O ATOM 582 CB ILE A 465 46.415 -13.795 -10.160 1.00 1.00 C ATOM 583 CG1 ILE A 465 44.880 -13.732 -10.087 1.00 1.00 C ATOM 584 CG2 ILE A 465 46.854 -14.697 -11.317 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.288 -15.115 -9.776 1.00 1.00 C ATOM 0 H ILE A 465 45.909 -12.724 -8.001 1.00 1.00 H new ATOM 0 HA ILE A 465 46.649 -15.361 -8.696 1.00 1.00 H new ATOM 0 HB ILE A 465 46.803 -12.791 -10.333 1.00 1.00 H new ATOM 0 HG12 ILE A 465 44.578 -13.021 -9.318 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.482 -13.366 -11.033 1.00 1.00 H new ATOM 0 HG21 ILE A 465 46.453 -14.309 -12.253 1.00 1.00 H new ATOM 0 HG22 ILE A 465 47.943 -14.717 -11.370 1.00 1.00 H new ATOM 0 HG23 ILE A 465 46.480 -15.707 -11.153 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.201 -15.044 -9.730 1.00 1.00 H new ATOM 0 HD12 ILE A 465 44.572 -15.817 -10.560 1.00 1.00 H new ATOM 0 HD13 ILE A 465 44.670 -15.467 -8.818 1.00 1.00 H new ATOM 597 N TYR A 466 49.066 -13.112 -8.694 1.00 1.00 N ATOM 598 CA TYR A 466 50.519 -12.977 -8.731 1.00 1.00 C ATOM 599 C TYR A 466 51.170 -13.610 -7.496 1.00 1.00 C ATOM 600 O TYR A 466 52.350 -13.955 -7.521 1.00 1.00 O ATOM 601 CB TYR A 466 50.906 -11.502 -8.851 1.00 1.00 C ATOM 602 CG TYR A 466 50.774 -11.070 -10.295 1.00 1.00 C ATOM 603 CD1 TYR A 466 49.507 -10.918 -10.872 1.00 1.00 C ATOM 604 CD2 TYR A 466 51.922 -10.814 -11.055 1.00 1.00 C ATOM 605 CE1 TYR A 466 49.389 -10.512 -12.206 1.00 1.00 C ATOM 606 CE2 TYR A 466 51.804 -10.409 -12.390 1.00 1.00 C ATOM 607 CZ TYR A 466 50.537 -10.259 -12.966 1.00 1.00 C ATOM 608 OH TYR A 466 50.420 -9.859 -14.282 1.00 1.00 O ATOM 0 H TYR A 466 48.556 -12.246 -8.518 1.00 1.00 H new ATOM 0 HA TYR A 466 50.889 -13.511 -9.607 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.263 -10.892 -8.216 1.00 1.00 H new ATOM 0 HB3 TYR A 466 51.929 -11.353 -8.506 1.00 1.00 H new ATOM 0 HD1 TYR A 466 48.621 -11.114 -10.287 1.00 1.00 H new ATOM 0 HD2 TYR A 466 52.900 -10.929 -10.611 1.00 1.00 H new ATOM 0 HE1 TYR A 466 48.411 -10.394 -12.650 1.00 1.00 H new ATOM 0 HE2 TYR A 466 52.690 -10.212 -12.975 1.00 1.00 H new ATOM 0 HH TYR A 466 51.313 -9.725 -14.664 1.00 1.00 H new ATOM 618 N GLY A 467 50.389 -13.788 -6.430 1.00 1.00 N ATOM 619 CA GLY A 467 50.914 -14.415 -5.215 1.00 1.00 C ATOM 620 C GLY A 467 51.617 -13.420 -4.293 1.00 1.00 C ATOM 621 O GLY A 467 52.467 -13.805 -3.491 1.00 1.00 O ATOM 0 H GLY A 467 49.408 -13.513 -6.381 1.00 1.00 H new ATOM 0 HA2 GLY A 467 50.096 -14.890 -4.674 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.613 -15.204 -5.492 1.00 1.00 H new ATOM 625 N TYR A 468 51.255 -12.148 -4.399 1.00 1.00 N ATOM 626 CA TYR A 468 51.858 -11.122 -3.551 1.00 1.00 C ATOM 627 C TYR A 468 50.955 -10.819 -2.360 1.00 1.00 C ATOM 628 O TYR A 468 51.209 -9.890 -1.592 1.00 1.00 O ATOM 629 CB TYR A 468 52.114 -9.852 -4.362 1.00 1.00 C ATOM 630 CG TYR A 468 53.408 -10.005 -5.122 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.511 -10.960 -6.138 1.00 1.00 C ATOM 632 CD2 TYR A 468 54.504 -9.185 -4.819 1.00 1.00 C ATOM 633 CE1 TYR A 468 54.706 -11.100 -6.851 1.00 1.00 C ATOM 634 CE2 TYR A 468 55.701 -9.326 -5.532 1.00 1.00 C ATOM 635 CZ TYR A 468 55.803 -10.284 -6.548 1.00 1.00 C ATOM 636 OH TYR A 468 56.982 -10.422 -7.250 1.00 1.00 O ATOM 0 H TYR A 468 50.555 -11.802 -5.055 1.00 1.00 H new ATOM 0 HA TYR A 468 52.811 -11.495 -3.175 1.00 1.00 H new ATOM 0 HB2 TYR A 468 51.290 -9.675 -5.054 1.00 1.00 H new ATOM 0 HB3 TYR A 468 52.166 -8.987 -3.700 1.00 1.00 H new ATOM 0 HD1 TYR A 468 52.666 -11.591 -6.373 1.00 1.00 H new ATOM 0 HD2 TYR A 468 54.425 -8.445 -4.036 1.00 1.00 H new ATOM 0 HE1 TYR A 468 54.783 -11.838 -7.636 1.00 1.00 H new ATOM 0 HE2 TYR A 468 56.546 -8.695 -5.298 1.00 1.00 H new ATOM 0 HH TYR A 468 57.640 -9.778 -6.914 1.00 1.00 H new ATOM 646 N ARG A 469 49.905 -11.621 -2.209 1.00 1.00 N ATOM 647 CA ARG A 469 48.968 -11.452 -1.103 1.00 1.00 C ATOM 648 C ARG A 469 49.694 -11.628 0.227 1.00 1.00 C ATOM 649 O ARG A 469 49.474 -10.869 1.171 1.00 1.00 O ATOM 650 CB ARG A 469 47.843 -12.486 -1.218 1.00 1.00 C ATOM 651 CG ARG A 469 46.810 -12.263 -0.108 1.00 1.00 C ATOM 652 CD ARG A 469 45.701 -13.310 -0.231 1.00 1.00 C ATOM 653 NE ARG A 469 44.716 -13.133 0.832 1.00 1.00 N ATOM 654 CZ ARG A 469 43.675 -12.320 0.682 1.00 1.00 C ATOM 655 NH1 ARG A 469 43.514 -11.655 -0.430 1.00 1.00 N ATOM 656 NH2 ARG A 469 42.812 -12.184 1.651 1.00 1.00 N ATOM 0 H ARG A 469 49.682 -12.393 -2.837 1.00 1.00 H new ATOM 0 HA ARG A 469 48.543 -10.449 -1.146 1.00 1.00 H new ATOM 0 HB2 ARG A 469 47.363 -12.407 -2.194 1.00 1.00 H new ATOM 0 HB3 ARG A 469 48.255 -13.493 -1.146 1.00 1.00 H new ATOM 0 HG2 ARG A 469 47.288 -12.336 0.869 1.00 1.00 H new ATOM 0 HG3 ARG A 469 46.389 -11.260 -0.183 1.00 1.00 H new ATOM 0 HD2 ARG A 469 45.216 -13.223 -1.203 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.129 -14.311 -0.176 1.00 1.00 H new ATOM 0 HE ARG A 469 44.829 -13.644 1.708 1.00 1.00 H new ATOM 0 HH11 ARG A 469 44.189 -11.758 -1.188 1.00 1.00 H new ATOM 0 HH12 ARG A 469 42.714 -11.032 -0.541 1.00 1.00 H new ATOM 0 HH21 ARG A 469 42.937 -12.701 2.521 1.00 1.00 H new ATOM 0 HH22 ARG A 469 42.012 -11.561 1.538 1.00 1.00 H new ATOM 670 N LEU A 470 50.558 -12.636 0.292 1.00 1.00 N ATOM 671 CA LEU A 470 51.313 -12.913 1.509 1.00 1.00 C ATOM 672 C LEU A 470 52.765 -12.472 1.348 1.00 1.00 C ATOM 673 O LEU A 470 53.399 -12.745 0.329 1.00 1.00 O ATOM 674 CB LEU A 470 51.265 -14.411 1.825 1.00 1.00 C ATOM 675 CG LEU A 470 49.811 -14.860 2.004 1.00 1.00 C ATOM 676 CD1 LEU A 470 49.772 -16.369 2.256 1.00 1.00 C ATOM 677 CD2 LEU A 470 49.181 -14.133 3.195 1.00 1.00 C ATOM 0 H LEU A 470 50.752 -13.273 -0.481 1.00 1.00 H new ATOM 0 HA LEU A 470 50.863 -12.355 2.330 1.00 1.00 H new ATOM 0 HB2 LEU A 470 51.733 -14.977 1.019 1.00 1.00 H new ATOM 0 HB3 LEU A 470 51.833 -14.619 2.732 1.00 1.00 H new ATOM 0 HG LEU A 470 49.251 -14.621 1.100 1.00 1.00 H new ATOM 0 HD11 LEU A 470 48.738 -16.690 2.384 1.00 1.00 H new ATOM 0 HD12 LEU A 470 50.212 -16.891 1.406 1.00 1.00 H new ATOM 0 HD13 LEU A 470 50.338 -16.602 3.158 1.00 1.00 H new ATOM 0 HD21 LEU A 470 48.148 -14.458 3.315 1.00 1.00 H new ATOM 0 HD22 LEU A 470 49.742 -14.365 4.101 1.00 1.00 H new ATOM 0 HD23 LEU A 470 49.205 -13.058 3.019 1.00 1.00 H new ATOM 689 N ARG A 471 53.278 -11.778 2.357 1.00 1.00 N ATOM 690 CA ARG A 471 54.651 -11.286 2.324 1.00 1.00 C ATOM 691 C ARG A 471 55.644 -12.444 2.287 1.00 1.00 C ATOM 692 O ARG A 471 56.667 -12.373 1.606 1.00 1.00 O ATOM 693 CB ARG A 471 54.922 -10.422 3.556 1.00 1.00 C ATOM 694 CG ARG A 471 54.160 -9.102 3.433 1.00 1.00 C ATOM 695 CD ARG A 471 54.403 -8.253 4.682 1.00 1.00 C ATOM 696 NE ARG A 471 53.686 -6.987 4.579 1.00 1.00 N ATOM 697 CZ ARG A 471 53.965 -5.972 5.390 1.00 1.00 C ATOM 698 NH1 ARG A 471 54.897 -6.096 6.295 1.00 1.00 N ATOM 699 NH2 ARG A 471 53.308 -4.850 5.281 1.00 1.00 N ATOM 0 H ARG A 471 52.765 -11.543 3.207 1.00 1.00 H new ATOM 0 HA ARG A 471 54.778 -10.689 1.421 1.00 1.00 H new ATOM 0 HB2 ARG A 471 54.613 -10.950 4.458 1.00 1.00 H new ATOM 0 HB3 ARG A 471 55.991 -10.229 3.650 1.00 1.00 H new ATOM 0 HG2 ARG A 471 54.488 -8.562 2.544 1.00 1.00 H new ATOM 0 HG3 ARG A 471 53.094 -9.295 3.314 1.00 1.00 H new ATOM 0 HD2 ARG A 471 54.073 -8.795 5.568 1.00 1.00 H new ATOM 0 HD3 ARG A 471 55.470 -8.066 4.801 1.00 1.00 H new ATOM 0 HE ARG A 471 52.958 -6.879 3.873 1.00 1.00 H new ATOM 0 HH11 ARG A 471 55.412 -6.972 6.380 1.00 1.00 H new ATOM 0 HH12 ARG A 471 55.111 -5.316 6.917 1.00 1.00 H new ATOM 0 HH21 ARG A 471 52.580 -4.752 4.573 1.00 1.00 H new ATOM 0 HH22 ARG A 471 53.522 -4.071 5.904 1.00 1.00 H new ATOM 713 N ARG A 472 55.343 -13.506 3.026 1.00 1.00 N ATOM 714 CA ARG A 472 56.228 -14.666 3.070 1.00 1.00 C ATOM 715 C ARG A 472 56.385 -15.275 1.680 1.00 1.00 C ATOM 716 O ARG A 472 57.490 -15.630 1.271 1.00 1.00 O ATOM 717 CB ARG A 472 55.664 -15.715 4.033 1.00 1.00 C ATOM 718 CG ARG A 472 56.640 -16.889 4.149 1.00 1.00 C ATOM 719 CD ARG A 472 56.091 -17.914 5.142 1.00 1.00 C ATOM 720 NE ARG A 472 54.861 -18.505 4.628 1.00 1.00 N ATOM 721 CZ ARG A 472 54.150 -19.358 5.358 1.00 1.00 C ATOM 722 NH1 ARG A 472 54.551 -19.681 6.558 1.00 1.00 N ATOM 723 NH2 ARG A 472 53.054 -19.875 4.876 1.00 1.00 N ATOM 0 H ARG A 472 54.502 -13.589 3.598 1.00 1.00 H new ATOM 0 HA ARG A 472 57.207 -14.341 3.421 1.00 1.00 H new ATOM 0 HB2 ARG A 472 55.498 -15.270 5.014 1.00 1.00 H new ATOM 0 HB3 ARG A 472 54.697 -16.068 3.675 1.00 1.00 H new ATOM 0 HG2 ARG A 472 56.784 -17.353 3.173 1.00 1.00 H new ATOM 0 HG3 ARG A 472 57.616 -16.533 4.480 1.00 1.00 H new ATOM 0 HD2 ARG A 472 56.832 -18.694 5.318 1.00 1.00 H new ATOM 0 HD3 ARG A 472 55.899 -17.435 6.102 1.00 1.00 H new ATOM 0 HE ARG A 472 54.541 -18.259 3.691 1.00 1.00 H new ATOM 0 HH11 ARG A 472 55.409 -19.279 6.934 1.00 1.00 H new ATOM 0 HH12 ARG A 472 54.006 -20.336 7.119 1.00 1.00 H new ATOM 0 HH21 ARG A 472 52.742 -19.625 3.938 1.00 1.00 H new ATOM 0 HH22 ARG A 472 52.509 -20.530 5.437 1.00 1.00 H new ATOM 737 N LYS A 473 55.276 -15.392 0.955 1.00 1.00 N ATOM 738 CA LYS A 473 55.314 -15.961 -0.389 1.00 1.00 C ATOM 739 C LYS A 473 55.612 -14.876 -1.419 1.00 1.00 C ATOM 740 O LYS A 473 56.612 -14.195 -1.262 1.00 1.00 O ATOM 741 CB LYS A 473 53.976 -16.624 -0.717 1.00 1.00 C ATOM 742 CG LYS A 473 53.783 -17.854 0.173 1.00 1.00 C ATOM 743 CD LYS A 473 52.438 -18.509 -0.147 1.00 1.00 C ATOM 744 CE LYS A 473 52.247 -19.742 0.737 1.00 1.00 C ATOM 745 NZ LYS A 473 50.932 -20.373 0.430 1.00 1.00 N ATOM 746 OXT LYS A 473 54.837 -14.743 -2.351 1.00 1.00 O ATOM 0 H LYS A 473 54.350 -15.104 1.271 1.00 1.00 H new ATOM 0 HA LYS A 473 56.106 -16.709 -0.424 1.00 1.00 H new ATOM 0 HB2 LYS A 473 53.160 -15.918 -0.561 1.00 1.00 H new ATOM 0 HB3 LYS A 473 53.950 -16.914 -1.767 1.00 1.00 H new ATOM 0 HG2 LYS A 473 54.593 -18.565 0.010 1.00 1.00 H new ATOM 0 HG3 LYS A 473 53.818 -17.565 1.223 1.00 1.00 H new ATOM 0 HD2 LYS A 473 51.627 -17.800 0.020 1.00 1.00 H new ATOM 0 HD3 LYS A 473 52.401 -18.793 -1.199 1.00 1.00 H new ATOM 0 HE2 LYS A 473 53.054 -20.455 0.565 1.00 1.00 H new ATOM 0 HE3 LYS A 473 52.290 -19.459 1.789 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 50.801 -21.212 1.031 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 50.168 -19.692 0.615 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 50.908 -20.656 -0.570 1.00 1.00 H new TER 760 LYS A 473