USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot -67:sc= 1.2 USER MOD Single : A 442 MET CE :methyl -157:sc= -0.0726 (180deg=-0.628) USER MOD Single : A 453 THR OG1 : rot 80:sc= 1.22 USER MOD Single : A 463 CYS SG : rot 80:sc= 0.234 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 -1.273 -8.928 -11.456 1.00 1.00 N ATOM 2 CA GLY A 430 -0.250 -9.165 -10.398 1.00 1.00 C ATOM 3 C GLY A 430 1.086 -8.578 -10.843 1.00 1.00 C ATOM 4 O GLY A 430 1.696 -9.057 -11.798 1.00 1.00 O ATOM 0 HA2 GLY A 430 -0.567 -8.707 -9.461 1.00 1.00 H new ATOM 0 HA3 GLY A 430 -0.146 -10.234 -10.211 1.00 1.00 H new ATOM 10 N LYS A 431 1.530 -7.539 -10.141 1.00 1.00 N ATOM 11 CA LYS A 431 2.795 -6.887 -10.466 1.00 1.00 C ATOM 12 C LYS A 431 3.688 -6.809 -9.231 1.00 1.00 C ATOM 13 O LYS A 431 3.201 -6.639 -8.113 1.00 1.00 O ATOM 14 CB LYS A 431 2.534 -5.477 -10.999 1.00 1.00 C ATOM 15 CG LYS A 431 1.807 -5.565 -12.342 1.00 1.00 C ATOM 16 CD LYS A 431 1.534 -4.155 -12.870 1.00 1.00 C ATOM 17 CE LYS A 431 0.813 -4.245 -14.216 1.00 1.00 C ATOM 18 NZ LYS A 431 0.537 -2.871 -14.725 1.00 1.00 N ATOM 0 H LYS A 431 1.035 -7.132 -9.347 1.00 1.00 H new ATOM 0 HA LYS A 431 3.301 -7.476 -11.231 1.00 1.00 H new ATOM 0 HB2 LYS A 431 1.934 -4.912 -10.285 1.00 1.00 H new ATOM 0 HB3 LYS A 431 3.476 -4.942 -11.118 1.00 1.00 H new ATOM 0 HG2 LYS A 431 2.411 -6.122 -13.058 1.00 1.00 H new ATOM 0 HG3 LYS A 431 0.869 -6.108 -12.225 1.00 1.00 H new ATOM 0 HD2 LYS A 431 0.926 -3.599 -12.156 1.00 1.00 H new ATOM 0 HD3 LYS A 431 2.471 -3.610 -12.983 1.00 1.00 H new ATOM 0 HE2 LYS A 431 1.425 -4.794 -14.932 1.00 1.00 H new ATOM 0 HE3 LYS A 431 -0.120 -4.797 -14.105 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 0.047 -2.932 -15.640 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 -0.063 -2.362 -14.044 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 1.434 -2.359 -14.846 1.00 1.00 H new ATOM 32 N ARG A 432 4.995 -6.935 -9.445 1.00 1.00 N ATOM 33 CA ARG A 432 5.954 -6.880 -8.347 1.00 1.00 C ATOM 34 C ARG A 432 7.069 -5.888 -8.659 1.00 1.00 C ATOM 35 O ARG A 432 7.446 -5.706 -9.817 1.00 1.00 O ATOM 36 CB ARG A 432 6.555 -8.266 -8.108 1.00 1.00 C ATOM 37 CG ARG A 432 5.459 -9.224 -7.636 1.00 1.00 C ATOM 38 CD ARG A 432 6.036 -10.632 -7.494 1.00 1.00 C ATOM 39 NE ARG A 432 7.046 -10.661 -6.443 1.00 1.00 N ATOM 40 CZ ARG A 432 7.762 -11.755 -6.205 1.00 1.00 C ATOM 41 NH1 ARG A 432 7.568 -12.829 -6.923 1.00 1.00 N ATOM 42 NH2 ARG A 432 8.658 -11.756 -5.257 1.00 1.00 N ATOM 0 H ARG A 432 5.412 -7.075 -10.365 1.00 1.00 H new ATOM 0 HA ARG A 432 5.431 -6.551 -7.449 1.00 1.00 H new ATOM 0 HB2 ARG A 432 7.009 -8.640 -9.026 1.00 1.00 H new ATOM 0 HB3 ARG A 432 7.347 -8.207 -7.361 1.00 1.00 H new ATOM 0 HG2 ARG A 432 5.054 -8.888 -6.681 1.00 1.00 H new ATOM 0 HG3 ARG A 432 4.634 -9.228 -8.348 1.00 1.00 H new ATOM 0 HD2 ARG A 432 5.238 -11.337 -7.261 1.00 1.00 H new ATOM 0 HD3 ARG A 432 6.476 -10.949 -8.439 1.00 1.00 H new ATOM 0 HE ARG A 432 7.206 -9.826 -5.880 1.00 1.00 H new ATOM 0 HH11 ARG A 432 6.868 -12.827 -7.665 1.00 1.00 H new ATOM 0 HH12 ARG A 432 8.117 -13.670 -6.742 1.00 1.00 H new ATOM 0 HH21 ARG A 432 8.810 -10.917 -4.698 1.00 1.00 H new ATOM 0 HH22 ARG A 432 9.207 -12.596 -5.075 1.00 1.00 H new ATOM 56 N SER A 433 7.593 -5.248 -7.619 1.00 1.00 N ATOM 57 CA SER A 433 8.665 -4.275 -7.793 1.00 1.00 C ATOM 58 C SER A 433 9.513 -4.176 -6.529 1.00 1.00 C ATOM 59 O SER A 433 9.094 -4.606 -5.455 1.00 1.00 O ATOM 60 CB SER A 433 8.075 -2.903 -8.122 1.00 1.00 C ATOM 61 OG SER A 433 7.098 -2.565 -7.146 1.00 1.00 O ATOM 0 H SER A 433 7.295 -5.384 -6.653 1.00 1.00 H new ATOM 0 HA SER A 433 9.299 -4.606 -8.616 1.00 1.00 H new ATOM 0 HB2 SER A 433 8.863 -2.150 -8.140 1.00 1.00 H new ATOM 0 HB3 SER A 433 7.625 -2.917 -9.114 1.00 1.00 H new ATOM 0 HG SER A 433 6.719 -1.685 -7.353 1.00 1.00 H new ATOM 67 N TRP A 434 10.708 -3.606 -6.668 1.00 1.00 N ATOM 68 CA TRP A 434 11.613 -3.454 -5.534 1.00 1.00 C ATOM 69 C TRP A 434 11.714 -1.988 -5.122 1.00 1.00 C ATOM 70 O TRP A 434 11.689 -1.094 -5.968 1.00 1.00 O ATOM 71 CB TRP A 434 13.002 -3.978 -5.903 1.00 1.00 C ATOM 72 CG TRP A 434 12.937 -5.456 -6.118 1.00 1.00 C ATOM 73 CD1 TRP A 434 12.950 -6.067 -7.325 1.00 1.00 C ATOM 74 CD2 TRP A 434 12.849 -6.517 -5.124 1.00 1.00 C ATOM 75 NE1 TRP A 434 12.875 -7.434 -7.135 1.00 1.00 N ATOM 76 CE2 TRP A 434 12.812 -7.762 -5.795 1.00 1.00 C ATOM 77 CE3 TRP A 434 12.799 -6.521 -3.718 1.00 1.00 C ATOM 78 CZ2 TRP A 434 12.728 -8.968 -5.098 1.00 1.00 C ATOM 79 CZ3 TRP A 434 12.714 -7.732 -3.012 1.00 1.00 C ATOM 80 CH2 TRP A 434 12.679 -8.953 -3.701 1.00 1.00 C ATOM 0 H TRP A 434 11.070 -3.244 -7.550 1.00 1.00 H new ATOM 0 HA TRP A 434 11.217 -4.029 -4.697 1.00 1.00 H new ATOM 0 HB2 TRP A 434 13.361 -3.484 -6.806 1.00 1.00 H new ATOM 0 HB3 TRP A 434 13.712 -3.746 -5.109 1.00 1.00 H new ATOM 0 HD1 TRP A 434 13.009 -5.568 -8.281 1.00 1.00 H new ATOM 0 HE1 TRP A 434 12.867 -8.117 -7.892 1.00 1.00 H new ATOM 0 HE3 TRP A 434 12.826 -5.586 -3.178 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 12.701 -9.905 -5.634 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 12.675 -7.723 -1.933 1.00 1.00 H new ATOM 0 HH2 TRP A 434 12.614 -9.881 -3.153 1.00 1.00 H new ATOM 91 N ASP A 435 11.826 -1.750 -3.820 1.00 1.00 N ATOM 92 CA ASP A 435 11.927 -0.388 -3.308 1.00 1.00 C ATOM 93 C ASP A 435 13.239 0.253 -3.748 1.00 1.00 C ATOM 94 O ASP A 435 14.280 -0.403 -3.787 1.00 1.00 O ATOM 95 CB ASP A 435 11.850 -0.399 -1.780 1.00 1.00 C ATOM 96 CG ASP A 435 10.431 -0.732 -1.331 1.00 1.00 C ATOM 97 OD1 ASP A 435 9.538 -0.671 -2.161 1.00 1.00 O ATOM 98 OD2 ASP A 435 10.257 -1.045 -0.165 1.00 1.00 O ATOM 0 H ASP A 435 11.849 -2.476 -3.104 1.00 1.00 H new ATOM 0 HA ASP A 435 11.098 0.195 -3.710 1.00 1.00 H new ATOM 0 HB2 ASP A 435 12.549 -1.132 -1.378 1.00 1.00 H new ATOM 0 HB3 ASP A 435 12.146 0.573 -1.386 1.00 1.00 H new ATOM 103 N THR A 436 13.182 1.542 -4.068 1.00 1.00 N ATOM 104 CA THR A 436 14.368 2.272 -4.499 1.00 1.00 C ATOM 105 C THR A 436 15.351 2.424 -3.346 1.00 1.00 C ATOM 106 O THR A 436 16.533 2.696 -3.561 1.00 1.00 O ATOM 107 CB THR A 436 13.968 3.655 -5.017 1.00 1.00 C ATOM 108 OG1 THR A 436 13.283 4.362 -3.993 1.00 1.00 O ATOM 109 CG2 THR A 436 13.056 3.502 -6.234 1.00 1.00 C ATOM 0 H THR A 436 12.329 2.101 -4.037 1.00 1.00 H new ATOM 0 HA THR A 436 14.849 1.709 -5.299 1.00 1.00 H new ATOM 0 HB THR A 436 14.862 4.209 -5.305 1.00 1.00 H new ATOM 0 HG1 THR A 436 13.027 5.249 -4.322 1.00 1.00 H new ATOM 0 HG21 THR A 436 12.772 4.488 -6.602 1.00 1.00 H new ATOM 0 HG22 THR A 436 13.584 2.960 -7.019 1.00 1.00 H new ATOM 0 HG23 THR A 436 12.161 2.949 -5.950 1.00 1.00 H new ATOM 117 N GLU A 437 14.864 2.236 -2.126 1.00 1.00 N ATOM 118 CA GLU A 437 15.725 2.349 -0.957 1.00 1.00 C ATOM 119 C GLU A 437 16.796 1.264 -0.996 1.00 1.00 C ATOM 120 O GLU A 437 17.959 1.510 -0.669 1.00 1.00 O ATOM 121 CB GLU A 437 14.897 2.210 0.322 1.00 1.00 C ATOM 122 CG GLU A 437 13.972 3.422 0.464 1.00 1.00 C ATOM 123 CD GLU A 437 13.079 3.253 1.688 1.00 1.00 C ATOM 124 OE1 GLU A 437 13.222 2.250 2.369 1.00 1.00 O ATOM 125 OE2 GLU A 437 12.265 4.130 1.929 1.00 1.00 O ATOM 0 H GLU A 437 13.891 2.008 -1.922 1.00 1.00 H new ATOM 0 HA GLU A 437 16.204 3.328 -0.966 1.00 1.00 H new ATOM 0 HB2 GLU A 437 14.310 1.292 0.290 1.00 1.00 H new ATOM 0 HB3 GLU A 437 15.555 2.137 1.188 1.00 1.00 H new ATOM 0 HG2 GLU A 437 14.563 4.333 0.558 1.00 1.00 H new ATOM 0 HG3 GLU A 437 13.360 3.530 -0.431 1.00 1.00 H new ATOM 132 N SER A 438 16.395 0.069 -1.422 1.00 1.00 N ATOM 133 CA SER A 438 17.337 -1.041 -1.527 1.00 1.00 C ATOM 134 C SER A 438 18.344 -0.770 -2.638 1.00 1.00 C ATOM 135 O SER A 438 19.518 -1.121 -2.526 1.00 1.00 O ATOM 136 CB SER A 438 16.586 -2.340 -1.818 1.00 1.00 C ATOM 137 OG SER A 438 15.858 -2.200 -3.032 1.00 1.00 O ATOM 0 H SER A 438 15.438 -0.154 -1.696 1.00 1.00 H new ATOM 0 HA SER A 438 17.868 -1.140 -0.580 1.00 1.00 H new ATOM 0 HB2 SER A 438 17.288 -3.170 -1.895 1.00 1.00 H new ATOM 0 HB3 SER A 438 15.907 -2.572 -0.998 1.00 1.00 H new ATOM 0 HG SER A 438 15.138 -1.546 -2.908 1.00 1.00 H new ATOM 143 N VAL A 439 17.875 -0.134 -3.705 1.00 1.00 N ATOM 144 CA VAL A 439 18.738 0.195 -4.831 1.00 1.00 C ATOM 145 C VAL A 439 19.803 1.204 -4.418 1.00 1.00 C ATOM 146 O VAL A 439 20.969 1.085 -4.797 1.00 1.00 O ATOM 147 CB VAL A 439 17.903 0.770 -5.977 1.00 1.00 C ATOM 148 CG1 VAL A 439 18.831 1.286 -7.077 1.00 1.00 C ATOM 149 CG2 VAL A 439 17.000 -0.324 -6.548 1.00 1.00 C ATOM 0 H VAL A 439 16.905 0.163 -3.813 1.00 1.00 H new ATOM 0 HA VAL A 439 19.232 -0.718 -5.163 1.00 1.00 H new ATOM 0 HB VAL A 439 17.291 1.591 -5.603 1.00 1.00 H new ATOM 0 HG11 VAL A 439 18.236 1.695 -7.893 1.00 1.00 H new ATOM 0 HG12 VAL A 439 19.477 2.065 -6.672 1.00 1.00 H new ATOM 0 HG13 VAL A 439 19.443 0.465 -7.451 1.00 1.00 H new ATOM 0 HG21 VAL A 439 16.405 0.085 -7.364 1.00 1.00 H new ATOM 0 HG22 VAL A 439 17.613 -1.144 -6.921 1.00 1.00 H new ATOM 0 HG23 VAL A 439 16.337 -0.694 -5.766 1.00 1.00 H new ATOM 159 N LEU A 440 19.388 2.213 -3.661 1.00 1.00 N ATOM 160 CA LEU A 440 20.297 3.265 -3.220 1.00 1.00 C ATOM 161 C LEU A 440 21.410 2.664 -2.350 1.00 1.00 C ATOM 162 O LEU A 440 22.581 3.016 -2.472 1.00 1.00 O ATOM 163 CB LEU A 440 19.500 4.292 -2.400 1.00 1.00 C ATOM 164 CG LEU A 440 20.361 5.518 -2.061 1.00 1.00 C ATOM 165 CD1 LEU A 440 20.394 6.483 -3.255 1.00 1.00 C ATOM 166 CD2 LEU A 440 19.761 6.236 -0.850 1.00 1.00 C ATOM 0 H LEU A 440 18.427 2.325 -3.339 1.00 1.00 H new ATOM 0 HA LEU A 440 20.749 3.748 -4.086 1.00 1.00 H new ATOM 0 HB2 LEU A 440 18.620 4.606 -2.961 1.00 1.00 H new ATOM 0 HB3 LEU A 440 19.143 3.829 -1.480 1.00 1.00 H new ATOM 0 HG LEU A 440 21.376 5.192 -1.835 1.00 1.00 H new ATOM 0 HD11 LEU A 440 21.007 7.349 -3.006 1.00 1.00 H new ATOM 0 HD12 LEU A 440 20.818 5.976 -4.121 1.00 1.00 H new ATOM 0 HD13 LEU A 440 19.380 6.810 -3.487 1.00 1.00 H new ATOM 0 HD21 LEU A 440 20.369 7.107 -0.606 1.00 1.00 H new ATOM 0 HD22 LEU A 440 18.745 6.556 -1.083 1.00 1.00 H new ATOM 0 HD23 LEU A 440 19.741 5.557 0.002 1.00 1.00 H new ATOM 178 N ALA A 441 21.017 1.764 -1.465 1.00 1.00 N ATOM 179 CA ALA A 441 21.972 1.121 -0.561 1.00 1.00 C ATOM 180 C ALA A 441 23.040 0.316 -1.320 1.00 1.00 C ATOM 181 O ALA A 441 24.186 0.222 -0.872 1.00 1.00 O ATOM 182 CB ALA A 441 21.224 0.191 0.398 1.00 1.00 C ATOM 0 H ALA A 441 20.051 1.459 -1.349 1.00 1.00 H new ATOM 0 HA ALA A 441 22.481 1.910 -0.008 1.00 1.00 H new ATOM 0 HB1 ALA A 441 21.936 -0.287 1.071 1.00 1.00 H new ATOM 0 HB2 ALA A 441 20.507 0.769 0.980 1.00 1.00 H new ATOM 0 HB3 ALA A 441 20.696 -0.572 -0.173 1.00 1.00 H new ATOM 188 N MET A 442 22.660 -0.297 -2.435 1.00 1.00 N ATOM 189 CA MET A 442 23.598 -1.125 -3.199 1.00 1.00 C ATOM 190 C MET A 442 24.780 -0.328 -3.765 1.00 1.00 C ATOM 191 O MET A 442 25.908 -0.818 -3.726 1.00 1.00 O ATOM 192 CB MET A 442 22.859 -1.801 -4.358 1.00 1.00 C ATOM 193 CG MET A 442 21.985 -2.949 -3.835 1.00 1.00 C ATOM 194 SD MET A 442 23.018 -4.257 -3.116 1.00 1.00 S ATOM 195 CE MET A 442 23.710 -4.908 -4.659 1.00 1.00 C ATOM 0 H MET A 442 21.721 -0.241 -2.830 1.00 1.00 H new ATOM 0 HA MET A 442 24.001 -1.863 -2.505 1.00 1.00 H new ATOM 0 HB2 MET A 442 22.239 -1.071 -4.878 1.00 1.00 H new ATOM 0 HB3 MET A 442 23.578 -2.183 -5.083 1.00 1.00 H new ATOM 0 HG2 MET A 442 21.290 -2.572 -3.084 1.00 1.00 H new ATOM 0 HG3 MET A 442 21.385 -3.357 -4.648 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.035 -5.937 -4.506 1.00 1.00 H new ATOM 0 HE2 MET A 442 22.949 -4.880 -5.439 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.562 -4.299 -4.961 1.00 1.00 H new ATOM 205 N TRP A 443 24.565 0.870 -4.303 1.00 1.00 N ATOM 206 CA TRP A 443 25.709 1.599 -4.857 1.00 1.00 C ATOM 207 C TRP A 443 26.672 1.994 -3.739 1.00 1.00 C ATOM 208 O TRP A 443 27.876 2.081 -3.981 1.00 1.00 O ATOM 209 CB TRP A 443 25.310 2.841 -5.663 1.00 1.00 C ATOM 210 CG TRP A 443 24.523 3.790 -4.831 1.00 1.00 C ATOM 211 CD1 TRP A 443 23.183 3.899 -4.842 1.00 1.00 C ATOM 212 CD2 TRP A 443 25.010 4.768 -3.873 1.00 1.00 C ATOM 213 NE1 TRP A 443 22.809 4.886 -3.947 1.00 1.00 N ATOM 214 CE2 TRP A 443 23.903 5.449 -3.322 1.00 1.00 C ATOM 215 CE3 TRP A 443 26.295 5.122 -3.432 1.00 1.00 C ATOM 216 CZ2 TRP A 443 24.065 6.451 -2.363 1.00 1.00 C ATOM 217 CZ3 TRP A 443 26.464 6.130 -2.469 1.00 1.00 C ATOM 218 CH2 TRP A 443 25.351 6.792 -1.936 1.00 1.00 C ATOM 0 H TRP A 443 23.662 1.339 -4.368 1.00 1.00 H new ATOM 0 HA TRP A 443 26.198 0.918 -5.554 1.00 1.00 H new ATOM 0 HB2 TRP A 443 26.205 3.338 -6.038 1.00 1.00 H new ATOM 0 HB3 TRP A 443 24.724 2.542 -6.532 1.00 1.00 H new ATOM 0 HD1 TRP A 443 22.509 3.313 -5.449 1.00 1.00 H new ATOM 0 HE1 TRP A 443 21.843 5.163 -3.771 1.00 1.00 H new ATOM 0 HE3 TRP A 443 27.159 4.616 -3.836 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 23.203 6.958 -1.955 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 27.457 6.396 -2.138 1.00 1.00 H new ATOM 0 HH2 TRP A 443 25.487 7.566 -1.195 1.00 1.00 H new ATOM 229 N VAL A 444 26.181 2.225 -2.524 1.00 1.00 N ATOM 230 CA VAL A 444 27.065 2.592 -1.419 1.00 1.00 C ATOM 231 C VAL A 444 28.042 1.456 -1.139 1.00 1.00 C ATOM 232 O VAL A 444 29.241 1.684 -1.000 1.00 1.00 O ATOM 233 CB VAL A 444 26.243 2.875 -0.155 1.00 1.00 C ATOM 234 CG1 VAL A 444 27.184 3.028 1.041 1.00 1.00 C ATOM 235 CG2 VAL A 444 25.440 4.166 -0.330 1.00 1.00 C ATOM 0 H VAL A 444 25.192 2.166 -2.281 1.00 1.00 H new ATOM 0 HA VAL A 444 27.617 3.490 -1.697 1.00 1.00 H new ATOM 0 HB VAL A 444 25.558 2.045 0.016 1.00 1.00 H new ATOM 0 HG11 VAL A 444 26.601 3.229 1.940 1.00 1.00 H new ATOM 0 HG12 VAL A 444 27.753 2.108 1.176 1.00 1.00 H new ATOM 0 HG13 VAL A 444 27.870 3.856 0.861 1.00 1.00 H new ATOM 0 HG21 VAL A 444 24.860 4.359 0.572 1.00 1.00 H new ATOM 0 HG22 VAL A 444 26.122 4.998 -0.507 1.00 1.00 H new ATOM 0 HG23 VAL A 444 24.766 4.063 -1.180 1.00 1.00 H new ATOM 245 N LEU A 445 27.537 0.234 -1.075 1.00 1.00 N ATOM 246 CA LEU A 445 28.395 -0.917 -0.825 1.00 1.00 C ATOM 247 C LEU A 445 29.410 -1.067 -1.953 1.00 1.00 C ATOM 248 O LEU A 445 30.577 -1.369 -1.704 1.00 1.00 O ATOM 249 CB LEU A 445 27.541 -2.183 -0.728 1.00 1.00 C ATOM 250 CG LEU A 445 26.693 -2.139 0.546 1.00 1.00 C ATOM 251 CD1 LEU A 445 25.698 -3.296 0.530 1.00 1.00 C ATOM 252 CD2 LEU A 445 27.588 -2.259 1.790 1.00 1.00 C ATOM 0 H LEU A 445 26.548 0.013 -1.191 1.00 1.00 H new ATOM 0 HA LEU A 445 28.928 -0.767 0.114 1.00 1.00 H new ATOM 0 HB2 LEU A 445 26.896 -2.266 -1.603 1.00 1.00 H new ATOM 0 HB3 LEU A 445 28.181 -3.065 -0.720 1.00 1.00 H new ATOM 0 HG LEU A 445 26.161 -1.188 0.583 1.00 1.00 H new ATOM 0 HD11 LEU A 445 25.092 -3.268 1.436 1.00 1.00 H new ATOM 0 HD12 LEU A 445 25.050 -3.207 -0.342 1.00 1.00 H new ATOM 0 HD13 LEU A 445 26.239 -4.241 0.485 1.00 1.00 H new ATOM 0 HD21 LEU A 445 26.970 -2.226 2.687 1.00 1.00 H new ATOM 0 HD22 LEU A 445 28.131 -3.204 1.758 1.00 1.00 H new ATOM 0 HD23 LEU A 445 28.298 -1.433 1.808 1.00 1.00 H new ATOM 264 N ALA A 446 28.972 -0.870 -3.187 1.00 1.00 N ATOM 265 CA ALA A 446 29.877 -1.008 -4.321 1.00 1.00 C ATOM 266 C ALA A 446 31.037 -0.015 -4.209 1.00 1.00 C ATOM 267 O ALA A 446 32.191 -0.362 -4.478 1.00 1.00 O ATOM 268 CB ALA A 446 29.124 -0.756 -5.626 1.00 1.00 C ATOM 0 H ALA A 446 28.013 -0.618 -3.428 1.00 1.00 H new ATOM 0 HA ALA A 446 30.275 -2.023 -4.318 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.809 -0.861 -6.467 1.00 1.00 H new ATOM 0 HB2 ALA A 446 28.314 -1.479 -5.724 1.00 1.00 H new ATOM 0 HB3 ALA A 446 28.711 0.253 -5.619 1.00 1.00 H new ATOM 274 N LEU A 447 30.736 1.218 -3.807 1.00 1.00 N ATOM 275 CA LEU A 447 31.789 2.237 -3.657 1.00 1.00 C ATOM 276 C LEU A 447 32.788 1.843 -2.568 1.00 1.00 C ATOM 277 O LEU A 447 33.980 2.104 -2.697 1.00 1.00 O ATOM 278 CB LEU A 447 31.203 3.603 -3.324 1.00 1.00 C ATOM 279 CG LEU A 447 30.420 4.148 -4.519 1.00 1.00 C ATOM 280 CD1 LEU A 447 29.720 5.445 -4.112 1.00 1.00 C ATOM 281 CD2 LEU A 447 31.368 4.430 -5.692 1.00 1.00 C ATOM 0 H LEU A 447 29.794 1.538 -3.582 1.00 1.00 H new ATOM 0 HA LEU A 447 32.305 2.298 -4.615 1.00 1.00 H new ATOM 0 HB2 LEU A 447 30.548 3.524 -2.456 1.00 1.00 H new ATOM 0 HB3 LEU A 447 32.002 4.295 -3.058 1.00 1.00 H new ATOM 0 HG LEU A 447 29.683 3.407 -4.829 1.00 1.00 H new ATOM 0 HD11 LEU A 447 29.160 5.838 -4.961 1.00 1.00 H new ATOM 0 HD12 LEU A 447 29.036 5.246 -3.287 1.00 1.00 H new ATOM 0 HD13 LEU A 447 30.464 6.177 -3.798 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.797 4.817 -6.536 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.113 5.166 -5.389 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.868 3.507 -5.985 1.00 1.00 H new ATOM 293 N ILE A 448 32.317 1.247 -1.491 1.00 1.00 N ATOM 294 CA ILE A 448 33.227 0.859 -0.402 1.00 1.00 C ATOM 295 C ILE A 448 34.237 -0.160 -0.945 1.00 1.00 C ATOM 296 O ILE A 448 35.433 -0.158 -0.612 1.00 1.00 O ATOM 297 CB ILE A 448 32.471 0.223 0.778 1.00 1.00 C ATOM 298 CG1 ILE A 448 31.526 1.242 1.422 1.00 1.00 C ATOM 299 CG2 ILE A 448 33.469 -0.281 1.840 1.00 1.00 C ATOM 300 CD1 ILE A 448 32.285 2.479 1.939 1.00 1.00 C ATOM 0 H ILE A 448 31.335 1.020 -1.336 1.00 1.00 H new ATOM 0 HA ILE A 448 33.726 1.758 -0.040 1.00 1.00 H new ATOM 0 HB ILE A 448 31.889 -0.616 0.396 1.00 1.00 H new ATOM 0 HG12 ILE A 448 30.777 1.553 0.694 1.00 1.00 H new ATOM 0 HG13 ILE A 448 30.992 0.772 2.248 1.00 1.00 H new ATOM 0 HG21 ILE A 448 32.922 -0.729 2.670 1.00 1.00 H new ATOM 0 HG22 ILE A 448 34.128 -1.027 1.395 1.00 1.00 H new ATOM 0 HG23 ILE A 448 34.063 0.556 2.207 1.00 1.00 H new ATOM 0 HD11 ILE A 448 31.579 3.177 2.388 1.00 1.00 H new ATOM 0 HD12 ILE A 448 33.016 2.171 2.686 1.00 1.00 H new ATOM 0 HD13 ILE A 448 32.797 2.965 1.109 1.00 1.00 H new ATOM 312 N VAL A 449 33.722 -1.083 -1.759 1.00 1.00 N ATOM 313 CA VAL A 449 34.588 -2.124 -2.311 1.00 1.00 C ATOM 314 C VAL A 449 35.632 -1.502 -3.240 1.00 1.00 C ATOM 315 O VAL A 449 36.804 -1.883 -3.210 1.00 1.00 O ATOM 316 CB VAL A 449 33.764 -3.171 -3.061 1.00 1.00 C ATOM 317 CG1 VAL A 449 34.705 -4.093 -3.839 1.00 1.00 C ATOM 318 CG2 VAL A 449 32.928 -3.989 -2.059 1.00 1.00 C ATOM 0 H VAL A 449 32.744 -1.132 -2.043 1.00 1.00 H new ATOM 0 HA VAL A 449 35.101 -2.620 -1.487 1.00 1.00 H new ATOM 0 HB VAL A 449 33.089 -2.675 -3.759 1.00 1.00 H new ATOM 0 HG11 VAL A 449 34.121 -4.841 -4.375 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.283 -3.505 -4.552 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.382 -4.591 -3.145 1.00 1.00 H new ATOM 0 HG21 VAL A 449 32.342 -4.734 -2.597 1.00 1.00 H new ATOM 0 HG22 VAL A 449 33.592 -4.489 -1.354 1.00 1.00 H new ATOM 0 HG23 VAL A 449 32.257 -3.323 -1.516 1.00 1.00 H new ATOM 328 N ILE A 450 35.206 -0.562 -4.084 1.00 1.00 N ATOM 329 CA ILE A 450 36.121 0.055 -5.033 1.00 1.00 C ATOM 330 C ILE A 450 37.243 0.801 -4.310 1.00 1.00 C ATOM 331 O ILE A 450 38.408 0.659 -4.667 1.00 1.00 O ATOM 332 CB ILE A 450 35.351 1.046 -5.909 1.00 1.00 C ATOM 333 CG1 ILE A 450 34.374 0.256 -6.755 1.00 1.00 C ATOM 334 CG2 ILE A 450 36.315 1.787 -6.856 1.00 1.00 C ATOM 335 CD1 ILE A 450 33.382 1.218 -7.405 1.00 1.00 C ATOM 0 H ILE A 450 34.247 -0.218 -4.127 1.00 1.00 H new ATOM 0 HA ILE A 450 36.562 -0.732 -5.644 1.00 1.00 H new ATOM 0 HB ILE A 450 34.841 1.772 -5.276 1.00 1.00 H new ATOM 0 HG12 ILE A 450 34.909 -0.306 -7.521 1.00 1.00 H new ATOM 0 HG13 ILE A 450 33.844 -0.470 -6.138 1.00 1.00 H new ATOM 0 HG21 ILE A 450 35.752 2.488 -7.472 1.00 1.00 H new ATOM 0 HG22 ILE A 450 37.054 2.332 -6.269 1.00 1.00 H new ATOM 0 HG23 ILE A 450 36.821 1.066 -7.497 1.00 1.00 H new ATOM 0 HD11 ILE A 450 32.676 0.655 -8.015 1.00 1.00 H new ATOM 0 HD12 ILE A 450 32.840 1.760 -6.630 1.00 1.00 H new ATOM 0 HD13 ILE A 450 33.921 1.926 -8.034 1.00 1.00 H new ATOM 347 N PHE A 451 36.911 1.580 -3.276 1.00 1.00 N ATOM 348 CA PHE A 451 37.967 2.299 -2.561 1.00 1.00 C ATOM 349 C PHE A 451 38.935 1.325 -1.893 1.00 1.00 C ATOM 350 O PHE A 451 40.144 1.522 -1.939 1.00 1.00 O ATOM 351 CB PHE A 451 37.394 3.240 -1.514 1.00 1.00 C ATOM 352 CG PHE A 451 36.747 4.426 -2.186 1.00 1.00 C ATOM 353 CD1 PHE A 451 37.537 5.333 -2.908 1.00 1.00 C ATOM 354 CD2 PHE A 451 35.368 4.633 -2.075 1.00 1.00 C ATOM 355 CE1 PHE A 451 36.948 6.441 -3.518 1.00 1.00 C ATOM 356 CE2 PHE A 451 34.780 5.747 -2.686 1.00 1.00 C ATOM 357 CZ PHE A 451 35.570 6.649 -3.408 1.00 1.00 C ATOM 0 H PHE A 451 35.963 1.725 -2.928 1.00 1.00 H new ATOM 0 HA PHE A 451 38.506 2.891 -3.301 1.00 1.00 H new ATOM 0 HB2 PHE A 451 36.661 2.714 -0.902 1.00 1.00 H new ATOM 0 HB3 PHE A 451 38.185 3.578 -0.844 1.00 1.00 H new ATOM 0 HD1 PHE A 451 38.602 5.173 -2.992 1.00 1.00 H new ATOM 0 HD2 PHE A 451 34.759 3.935 -1.520 1.00 1.00 H new ATOM 0 HE1 PHE A 451 37.557 7.138 -4.075 1.00 1.00 H new ATOM 0 HE2 PHE A 451 33.716 5.910 -2.600 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.115 7.507 -3.881 1.00 1.00 H new ATOM 367 N LEU A 452 38.405 0.283 -1.268 1.00 1.00 N ATOM 368 CA LEU A 452 39.257 -0.696 -0.600 1.00 1.00 C ATOM 369 C LEU A 452 40.136 -1.429 -1.608 1.00 1.00 C ATOM 370 O LEU A 452 41.322 -1.666 -1.371 1.00 1.00 O ATOM 371 CB LEU A 452 38.395 -1.707 0.158 1.00 1.00 C ATOM 372 CG LEU A 452 37.727 -1.020 1.351 1.00 1.00 C ATOM 373 CD1 LEU A 452 36.700 -1.970 1.956 1.00 1.00 C ATOM 374 CD2 LEU A 452 38.772 -0.654 2.414 1.00 1.00 C ATOM 0 H LEU A 452 37.405 0.093 -1.208 1.00 1.00 H new ATOM 0 HA LEU A 452 39.900 -0.165 0.102 1.00 1.00 H new ATOM 0 HB2 LEU A 452 37.637 -2.124 -0.506 1.00 1.00 H new ATOM 0 HB3 LEU A 452 39.010 -2.539 0.502 1.00 1.00 H new ATOM 0 HG LEU A 452 37.241 -0.106 1.011 1.00 1.00 H new ATOM 0 HD11 LEU A 452 36.218 -1.490 2.808 1.00 1.00 H new ATOM 0 HD12 LEU A 452 35.949 -2.219 1.206 1.00 1.00 H new ATOM 0 HD13 LEU A 452 37.198 -2.881 2.287 1.00 1.00 H new ATOM 0 HD21 LEU A 452 38.280 -0.166 3.255 1.00 1.00 H new ATOM 0 HD22 LEU A 452 39.271 -1.559 2.760 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.508 0.024 1.982 1.00 1.00 H new ATOM 386 N THR A 453 39.531 -1.769 -2.737 1.00 1.00 N ATOM 387 CA THR A 453 40.276 -2.468 -3.775 1.00 1.00 C ATOM 388 C THR A 453 41.407 -1.587 -4.295 1.00 1.00 C ATOM 389 O THR A 453 42.550 -2.022 -4.408 1.00 1.00 O ATOM 390 CB THR A 453 39.350 -2.848 -4.940 1.00 1.00 C ATOM 391 OG1 THR A 453 38.337 -3.725 -4.475 1.00 1.00 O ATOM 392 CG2 THR A 453 40.156 -3.554 -6.025 1.00 1.00 C ATOM 0 H THR A 453 38.553 -1.579 -2.955 1.00 1.00 H new ATOM 0 HA THR A 453 40.694 -3.376 -3.341 1.00 1.00 H new ATOM 0 HB THR A 453 38.898 -1.944 -5.347 1.00 1.00 H new ATOM 0 HG1 THR A 453 37.636 -3.207 -4.028 1.00 1.00 H new ATOM 0 HG21 THR A 453 39.497 -3.823 -6.851 1.00 1.00 H new ATOM 0 HG22 THR A 453 40.939 -2.888 -6.388 1.00 1.00 H new ATOM 0 HG23 THR A 453 40.608 -4.456 -5.613 1.00 1.00 H new ATOM 400 N ILE A 454 41.062 -0.345 -4.603 1.00 1.00 N ATOM 401 CA ILE A 454 42.033 0.618 -5.112 1.00 1.00 C ATOM 402 C ILE A 454 43.086 0.940 -4.048 1.00 1.00 C ATOM 403 O ILE A 454 44.280 1.052 -4.343 1.00 1.00 O ATOM 404 CB ILE A 454 41.321 1.895 -5.553 1.00 1.00 C ATOM 405 CG1 ILE A 454 40.444 1.590 -6.771 1.00 1.00 C ATOM 406 CG2 ILE A 454 42.365 2.954 -5.927 1.00 1.00 C ATOM 407 CD1 ILE A 454 39.535 2.790 -7.057 1.00 1.00 C ATOM 0 H ILE A 454 40.115 0.022 -4.510 1.00 1.00 H new ATOM 0 HA ILE A 454 42.539 0.178 -5.972 1.00 1.00 H new ATOM 0 HB ILE A 454 40.699 2.269 -4.740 1.00 1.00 H new ATOM 0 HG12 ILE A 454 41.069 1.378 -7.639 1.00 1.00 H new ATOM 0 HG13 ILE A 454 39.842 0.700 -6.586 1.00 1.00 H new ATOM 0 HG21 ILE A 454 41.860 3.867 -6.242 1.00 1.00 H new ATOM 0 HG22 ILE A 454 42.993 3.167 -5.062 1.00 1.00 H new ATOM 0 HG23 ILE A 454 42.985 2.582 -6.743 1.00 1.00 H new ATOM 0 HD11 ILE A 454 38.910 2.575 -7.924 1.00 1.00 H new ATOM 0 HD12 ILE A 454 38.901 2.981 -6.191 1.00 1.00 H new ATOM 0 HD13 ILE A 454 40.146 3.669 -7.260 1.00 1.00 H new ATOM 419 N ALA A 455 42.625 1.123 -2.811 1.00 1.00 N ATOM 420 CA ALA A 455 43.531 1.469 -1.712 1.00 1.00 C ATOM 421 C ALA A 455 44.645 0.441 -1.557 1.00 1.00 C ATOM 422 O ALA A 455 45.812 0.778 -1.359 1.00 1.00 O ATOM 423 CB ALA A 455 42.756 1.568 -0.397 1.00 1.00 C ATOM 0 H ALA A 455 41.644 1.039 -2.545 1.00 1.00 H new ATOM 0 HA ALA A 455 43.980 2.433 -1.953 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.441 1.826 0.411 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.990 2.339 -0.483 1.00 1.00 H new ATOM 0 HB3 ALA A 455 42.283 0.610 -0.180 1.00 1.00 H new ATOM 429 N VAL A 456 44.245 -0.823 -1.613 1.00 1.00 N ATOM 430 CA VAL A 456 45.185 -1.921 -1.448 1.00 1.00 C ATOM 431 C VAL A 456 46.240 -1.930 -2.548 1.00 1.00 C ATOM 432 O VAL A 456 47.425 -2.093 -2.267 1.00 1.00 O ATOM 433 CB VAL A 456 44.436 -3.255 -1.453 1.00 1.00 C ATOM 434 CG1 VAL A 456 45.448 -4.399 -1.483 1.00 1.00 C ATOM 435 CG2 VAL A 456 43.582 -3.365 -0.187 1.00 1.00 C ATOM 0 H VAL A 456 43.279 -1.111 -1.771 1.00 1.00 H new ATOM 0 HA VAL A 456 45.690 -1.781 -0.493 1.00 1.00 H new ATOM 0 HB VAL A 456 43.792 -3.311 -2.331 1.00 1.00 H new ATOM 0 HG11 VAL A 456 44.919 -5.352 -1.487 1.00 1.00 H new ATOM 0 HG12 VAL A 456 46.060 -4.320 -2.382 1.00 1.00 H new ATOM 0 HG13 VAL A 456 46.088 -4.342 -0.602 1.00 1.00 H new ATOM 0 HG21 VAL A 456 43.048 -4.315 -0.190 1.00 1.00 H new ATOM 0 HG22 VAL A 456 44.225 -3.313 0.691 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.864 -2.545 -0.160 1.00 1.00 H new ATOM 445 N LEU A 457 45.817 -1.767 -3.797 1.00 1.00 N ATOM 446 CA LEU A 457 46.763 -1.783 -4.910 1.00 1.00 C ATOM 447 C LEU A 457 47.762 -0.636 -4.799 1.00 1.00 C ATOM 448 O LEU A 457 48.958 -0.841 -5.018 1.00 1.00 O ATOM 449 CB LEU A 457 46.007 -1.672 -6.238 1.00 1.00 C ATOM 450 CG LEU A 457 45.215 -2.960 -6.490 1.00 1.00 C ATOM 451 CD1 LEU A 457 44.293 -2.758 -7.694 1.00 1.00 C ATOM 452 CD2 LEU A 457 46.168 -4.131 -6.771 1.00 1.00 C ATOM 0 H LEU A 457 44.843 -1.625 -4.063 1.00 1.00 H new ATOM 0 HA LEU A 457 47.311 -2.725 -4.874 1.00 1.00 H new ATOM 0 HB2 LEU A 457 45.331 -0.817 -6.213 1.00 1.00 H new ATOM 0 HB3 LEU A 457 46.709 -1.500 -7.054 1.00 1.00 H new ATOM 0 HG LEU A 457 44.626 -3.191 -5.602 1.00 1.00 H new ATOM 0 HD11 LEU A 457 43.728 -3.672 -7.877 1.00 1.00 H new ATOM 0 HD12 LEU A 457 43.603 -1.939 -7.491 1.00 1.00 H new ATOM 0 HD13 LEU A 457 44.890 -2.519 -8.574 1.00 1.00 H new ATOM 0 HD21 LEU A 457 45.589 -5.037 -6.948 1.00 1.00 H new ATOM 0 HD22 LEU A 457 46.769 -3.907 -7.652 1.00 1.00 H new ATOM 0 HD23 LEU A 457 46.823 -4.281 -5.913 1.00 1.00 H new ATOM 464 N LEU A 458 47.296 0.559 -4.454 1.00 1.00 N ATOM 465 CA LEU A 458 48.211 1.690 -4.323 1.00 1.00 C ATOM 466 C LEU A 458 49.208 1.423 -3.200 1.00 1.00 C ATOM 467 O LEU A 458 50.407 1.662 -3.348 1.00 1.00 O ATOM 468 CB LEU A 458 47.423 2.967 -4.020 1.00 1.00 C ATOM 469 CG LEU A 458 46.607 3.375 -5.254 1.00 1.00 C ATOM 470 CD1 LEU A 458 45.662 4.518 -4.883 1.00 1.00 C ATOM 471 CD2 LEU A 458 47.539 3.830 -6.386 1.00 1.00 C ATOM 0 H LEU A 458 46.316 0.769 -4.264 1.00 1.00 H new ATOM 0 HA LEU A 458 48.752 1.818 -5.260 1.00 1.00 H new ATOM 0 HB2 LEU A 458 46.759 2.804 -3.171 1.00 1.00 H new ATOM 0 HB3 LEU A 458 48.106 3.770 -3.741 1.00 1.00 H new ATOM 0 HG LEU A 458 46.031 2.515 -5.596 1.00 1.00 H new ATOM 0 HD11 LEU A 458 45.082 4.809 -5.759 1.00 1.00 H new ATOM 0 HD12 LEU A 458 44.987 4.190 -4.093 1.00 1.00 H new ATOM 0 HD13 LEU A 458 46.243 5.371 -4.533 1.00 1.00 H new ATOM 0 HD21 LEU A 458 46.945 4.116 -7.254 1.00 1.00 H new ATOM 0 HD22 LEU A 458 48.127 4.684 -6.052 1.00 1.00 H new ATOM 0 HD23 LEU A 458 48.208 3.013 -6.657 1.00 1.00 H new ATOM 483 N ALA A 459 48.707 0.907 -2.085 1.00 1.00 N ATOM 484 CA ALA A 459 49.553 0.587 -0.942 1.00 1.00 C ATOM 485 C ALA A 459 50.475 -0.593 -1.248 1.00 1.00 C ATOM 486 O ALA A 459 51.620 -0.604 -0.796 1.00 1.00 O ATOM 487 CB ALA A 459 48.681 0.248 0.269 1.00 1.00 C ATOM 0 H ALA A 459 47.718 0.701 -1.948 1.00 1.00 H new ATOM 0 HA ALA A 459 50.169 1.459 -0.724 1.00 1.00 H new ATOM 0 HB1 ALA A 459 49.318 0.010 1.121 1.00 1.00 H new ATOM 0 HB2 ALA A 459 48.051 1.103 0.515 1.00 1.00 H new ATOM 0 HB3 ALA A 459 48.051 -0.611 0.035 1.00 1.00 H new ATOM 493 N LEU A 460 50.003 -1.586 -1.995 1.00 1.00 N ATOM 494 CA LEU A 460 50.844 -2.737 -2.303 1.00 1.00 C ATOM 495 C LEU A 460 52.076 -2.283 -3.088 1.00 1.00 C ATOM 496 O LEU A 460 53.196 -2.717 -2.824 1.00 1.00 O ATOM 497 CB LEU A 460 50.030 -3.800 -3.080 1.00 1.00 C ATOM 498 CG LEU A 460 50.701 -4.205 -4.406 1.00 1.00 C ATOM 499 CD1 LEU A 460 52.036 -4.905 -4.131 1.00 1.00 C ATOM 500 CD2 LEU A 460 49.780 -5.180 -5.142 1.00 1.00 C ATOM 0 H LEU A 460 49.064 -1.619 -2.391 1.00 1.00 H new ATOM 0 HA LEU A 460 51.187 -3.197 -1.376 1.00 1.00 H new ATOM 0 HB2 LEU A 460 49.904 -4.684 -2.455 1.00 1.00 H new ATOM 0 HB3 LEU A 460 49.033 -3.410 -3.285 1.00 1.00 H new ATOM 0 HG LEU A 460 50.880 -3.313 -5.006 1.00 1.00 H new ATOM 0 HD11 LEU A 460 52.501 -5.186 -5.076 1.00 1.00 H new ATOM 0 HD12 LEU A 460 52.697 -4.228 -3.589 1.00 1.00 H new ATOM 0 HD13 LEU A 460 51.862 -5.799 -3.532 1.00 1.00 H new ATOM 0 HD21 LEU A 460 50.242 -5.476 -6.084 1.00 1.00 H new ATOM 0 HD22 LEU A 460 49.617 -6.063 -4.524 1.00 1.00 H new ATOM 0 HD23 LEU A 460 48.824 -4.696 -5.343 1.00 1.00 H new ATOM 512 N ARG A 461 51.844 -1.394 -4.049 1.00 1.00 N ATOM 513 CA ARG A 461 52.920 -0.861 -4.876 1.00 1.00 C ATOM 514 C ARG A 461 53.896 -0.074 -4.012 1.00 1.00 C ATOM 515 O ARG A 461 55.113 -0.187 -4.167 1.00 1.00 O ATOM 516 CB ARG A 461 52.325 0.026 -5.984 1.00 1.00 C ATOM 517 CG ARG A 461 53.425 0.542 -6.927 1.00 1.00 C ATOM 518 CD ARG A 461 53.898 1.941 -6.505 1.00 1.00 C ATOM 519 NE ARG A 461 52.810 2.901 -6.646 1.00 1.00 N ATOM 520 CZ ARG A 461 52.975 4.180 -6.322 1.00 1.00 C ATOM 521 NH1 ARG A 461 54.125 4.595 -5.869 1.00 1.00 N ATOM 522 NH2 ARG A 461 51.987 5.021 -6.459 1.00 1.00 N ATOM 0 H ARG A 461 50.919 -1.028 -4.274 1.00 1.00 H new ATOM 0 HA ARG A 461 53.465 -1.681 -5.343 1.00 1.00 H new ATOM 0 HB2 ARG A 461 51.590 -0.542 -6.554 1.00 1.00 H new ATOM 0 HB3 ARG A 461 51.799 0.870 -5.537 1.00 1.00 H new ATOM 0 HG2 ARG A 461 54.268 -0.149 -6.920 1.00 1.00 H new ATOM 0 HG3 ARG A 461 53.047 0.574 -7.949 1.00 1.00 H new ATOM 0 HD2 ARG A 461 54.243 1.920 -5.471 1.00 1.00 H new ATOM 0 HD3 ARG A 461 54.745 2.247 -7.118 1.00 1.00 H new ATOM 0 HE ARG A 461 51.906 2.586 -6.999 1.00 1.00 H new ATOM 0 HH11 ARG A 461 54.898 3.938 -5.763 1.00 1.00 H new ATOM 0 HH12 ARG A 461 54.251 5.576 -5.621 1.00 1.00 H new ATOM 0 HH21 ARG A 461 51.087 4.697 -6.815 1.00 1.00 H new ATOM 0 HH22 ARG A 461 52.114 6.002 -6.210 1.00 1.00 H new ATOM 536 N PHE A 462 53.350 0.724 -3.102 1.00 1.00 N ATOM 537 CA PHE A 462 54.168 1.535 -2.208 1.00 1.00 C ATOM 538 C PHE A 462 55.059 0.639 -1.365 1.00 1.00 C ATOM 539 O PHE A 462 56.257 0.886 -1.228 1.00 1.00 O ATOM 540 CB PHE A 462 53.274 2.377 -1.296 1.00 1.00 C ATOM 541 CG PHE A 462 54.134 3.219 -0.385 1.00 1.00 C ATOM 542 CD1 PHE A 462 54.804 4.339 -0.895 1.00 1.00 C ATOM 543 CD2 PHE A 462 54.265 2.881 0.967 1.00 1.00 C ATOM 544 CE1 PHE A 462 55.602 5.121 -0.050 1.00 1.00 C ATOM 545 CE2 PHE A 462 55.062 3.662 1.811 1.00 1.00 C ATOM 546 CZ PHE A 462 55.732 4.783 1.302 1.00 1.00 C ATOM 0 H PHE A 462 52.345 0.827 -2.964 1.00 1.00 H new ATOM 0 HA PHE A 462 54.791 2.199 -2.808 1.00 1.00 H new ATOM 0 HB2 PHE A 462 52.625 3.017 -1.895 1.00 1.00 H new ATOM 0 HB3 PHE A 462 52.626 1.729 -0.706 1.00 1.00 H new ATOM 0 HD1 PHE A 462 54.705 4.599 -1.939 1.00 1.00 H new ATOM 0 HD2 PHE A 462 53.750 2.016 1.359 1.00 1.00 H new ATOM 0 HE1 PHE A 462 56.117 5.985 -0.442 1.00 1.00 H new ATOM 0 HE2 PHE A 462 55.161 3.401 2.854 1.00 1.00 H new ATOM 0 HZ PHE A 462 56.348 5.386 1.953 1.00 1.00 H new ATOM 556 N CYS A 463 54.473 -0.415 -0.814 1.00 1.00 N ATOM 557 CA CYS A 463 55.202 -1.371 0.002 1.00 1.00 C ATOM 558 C CYS A 463 56.104 -2.231 -0.875 1.00 1.00 C ATOM 559 O CYS A 463 57.139 -2.724 -0.420 1.00 1.00 O ATOM 560 CB CYS A 463 54.220 -2.268 0.759 1.00 1.00 C ATOM 561 SG CYS A 463 53.234 -1.261 1.894 1.00 1.00 S ATOM 0 H CYS A 463 53.482 -0.629 -0.921 1.00 1.00 H new ATOM 0 HA CYS A 463 55.816 -0.823 0.717 1.00 1.00 H new ATOM 0 HB2 CYS A 463 53.568 -2.786 0.056 1.00 1.00 H new ATOM 0 HB3 CYS A 463 54.763 -3.033 1.313 1.00 1.00 H new ATOM 0 HG CYS A 463 52.283 -0.669 1.234 1.00 1.00 H new ATOM 567 N GLY A 464 55.712 -2.400 -2.134 1.00 1.00 N ATOM 568 CA GLY A 464 56.506 -3.201 -3.061 1.00 1.00 C ATOM 569 C GLY A 464 57.866 -2.562 -3.326 1.00 1.00 C ATOM 570 O GLY A 464 58.882 -3.254 -3.408 1.00 1.00 O ATOM 0 H GLY A 464 54.862 -2.000 -2.532 1.00 1.00 H new ATOM 0 HA2 GLY A 464 56.646 -4.201 -2.652 1.00 1.00 H new ATOM 0 HA3 GLY A 464 55.966 -3.314 -4.001 1.00 1.00 H new ATOM 574 N ILE A 465 57.877 -1.242 -3.468 1.00 1.00 N ATOM 575 CA ILE A 465 59.111 -0.509 -3.735 1.00 1.00 C ATOM 576 C ILE A 465 59.799 -0.100 -2.431 1.00 1.00 C ATOM 577 O ILE A 465 60.880 0.488 -2.450 1.00 1.00 O ATOM 578 CB ILE A 465 58.799 0.724 -4.596 1.00 1.00 C ATOM 579 CG1 ILE A 465 60.100 1.388 -5.058 1.00 1.00 C ATOM 580 CG2 ILE A 465 57.978 1.730 -3.786 1.00 1.00 C ATOM 581 CD1 ILE A 465 59.792 2.381 -6.181 1.00 1.00 C ATOM 0 H ILE A 465 57.045 -0.656 -3.403 1.00 1.00 H new ATOM 0 HA ILE A 465 59.797 -1.159 -4.278 1.00 1.00 H new ATOM 0 HB ILE A 465 58.228 0.405 -5.468 1.00 1.00 H new ATOM 0 HG12 ILE A 465 60.575 1.902 -4.223 1.00 1.00 H new ATOM 0 HG13 ILE A 465 60.803 0.632 -5.408 1.00 1.00 H new ATOM 0 HG21 ILE A 465 57.760 2.602 -4.402 1.00 1.00 H new ATOM 0 HG22 ILE A 465 57.043 1.266 -3.470 1.00 1.00 H new ATOM 0 HG23 ILE A 465 58.545 2.039 -2.908 1.00 1.00 H new ATOM 0 HD11 ILE A 465 60.716 2.855 -6.511 1.00 1.00 H new ATOM 0 HD12 ILE A 465 59.335 1.853 -7.018 1.00 1.00 H new ATOM 0 HD13 ILE A 465 59.105 3.143 -5.814 1.00 1.00 H new ATOM 593 N TYR A 466 59.180 -0.433 -1.301 1.00 1.00 N ATOM 594 CA TYR A 466 59.764 -0.104 0.000 1.00 1.00 C ATOM 595 C TYR A 466 60.388 -1.341 0.637 1.00 1.00 C ATOM 596 O TYR A 466 61.113 -1.240 1.626 1.00 1.00 O ATOM 597 CB TYR A 466 58.699 0.464 0.936 1.00 1.00 C ATOM 598 CG TYR A 466 59.353 0.936 2.213 1.00 1.00 C ATOM 599 CD1 TYR A 466 60.031 2.161 2.240 1.00 1.00 C ATOM 600 CD2 TYR A 466 59.283 0.148 3.368 1.00 1.00 C ATOM 601 CE1 TYR A 466 60.638 2.599 3.424 1.00 1.00 C ATOM 602 CE2 TYR A 466 59.890 0.586 4.552 1.00 1.00 C ATOM 603 CZ TYR A 466 60.567 1.811 4.580 1.00 1.00 C ATOM 604 OH TYR A 466 61.166 2.242 5.746 1.00 1.00 O ATOM 0 H TYR A 466 58.287 -0.923 -1.257 1.00 1.00 H new ATOM 0 HA TYR A 466 60.539 0.645 -0.160 1.00 1.00 H new ATOM 0 HB2 TYR A 466 58.179 1.292 0.453 1.00 1.00 H new ATOM 0 HB3 TYR A 466 57.951 -0.297 1.157 1.00 1.00 H new ATOM 0 HD1 TYR A 466 60.086 2.768 1.348 1.00 1.00 H new ATOM 0 HD2 TYR A 466 58.761 -0.797 3.346 1.00 1.00 H new ATOM 0 HE1 TYR A 466 61.161 3.544 3.446 1.00 1.00 H new ATOM 0 HE2 TYR A 466 59.836 -0.021 5.443 1.00 1.00 H new ATOM 0 HH TYR A 466 61.022 1.578 6.453 1.00 1.00 H new ATOM 614 N GLY A 467 60.104 -2.510 0.067 1.00 1.00 N ATOM 615 CA GLY A 467 60.651 -3.755 0.598 1.00 1.00 C ATOM 616 C GLY A 467 59.881 -4.208 1.834 1.00 1.00 C ATOM 617 O GLY A 467 60.403 -4.964 2.654 1.00 1.00 O ATOM 0 H GLY A 467 59.506 -2.621 -0.752 1.00 1.00 H new ATOM 0 HA2 GLY A 467 60.607 -4.531 -0.166 1.00 1.00 H new ATOM 0 HA3 GLY A 467 61.702 -3.616 0.851 1.00 1.00 H new ATOM 621 N TYR A 468 58.646 -3.739 1.970 1.00 1.00 N ATOM 622 CA TYR A 468 57.829 -4.105 3.123 1.00 1.00 C ATOM 623 C TYR A 468 58.635 -3.962 4.410 1.00 1.00 C ATOM 624 O TYR A 468 58.805 -2.856 4.925 1.00 1.00 O ATOM 625 CB TYR A 468 57.342 -5.550 2.987 1.00 1.00 C ATOM 626 CG TYR A 468 56.438 -5.674 1.784 1.00 1.00 C ATOM 627 CD1 TYR A 468 56.983 -5.939 0.522 1.00 1.00 C ATOM 628 CD2 TYR A 468 55.053 -5.529 1.932 1.00 1.00 C ATOM 629 CE1 TYR A 468 56.143 -6.058 -0.591 1.00 1.00 C ATOM 630 CE2 TYR A 468 54.214 -5.648 0.819 1.00 1.00 C ATOM 631 CZ TYR A 468 54.759 -5.913 -0.443 1.00 1.00 C ATOM 632 OH TYR A 468 53.932 -6.031 -1.542 1.00 1.00 O ATOM 0 H TYR A 468 58.192 -3.112 1.306 1.00 1.00 H new ATOM 0 HA TYR A 468 56.969 -3.436 3.162 1.00 1.00 H new ATOM 0 HB2 TYR A 468 58.194 -6.222 2.884 1.00 1.00 H new ATOM 0 HB3 TYR A 468 56.807 -5.849 3.888 1.00 1.00 H new ATOM 0 HD1 TYR A 468 58.051 -6.052 0.407 1.00 1.00 H new ATOM 0 HD2 TYR A 468 54.633 -5.325 2.906 1.00 1.00 H new ATOM 0 HE1 TYR A 468 56.563 -6.262 -1.565 1.00 1.00 H new ATOM 0 HE2 TYR A 468 53.146 -5.535 0.933 1.00 1.00 H new ATOM 0 HH TYR A 468 53.000 -5.904 -1.266 1.00 1.00 H new ATOM 642 N ARG A 469 59.129 -5.086 4.923 1.00 1.00 N ATOM 643 CA ARG A 469 59.919 -5.082 6.151 1.00 1.00 C ATOM 644 C ARG A 469 61.241 -5.811 5.937 1.00 1.00 C ATOM 645 O ARG A 469 61.315 -6.773 5.174 1.00 1.00 O ATOM 646 CB ARG A 469 59.136 -5.761 7.277 1.00 1.00 C ATOM 647 CG ARG A 469 57.886 -4.940 7.600 1.00 1.00 C ATOM 648 CD ARG A 469 57.051 -5.671 8.652 1.00 1.00 C ATOM 649 NE ARG A 469 57.785 -5.759 9.908 1.00 1.00 N ATOM 650 CZ ARG A 469 57.303 -6.443 10.939 1.00 1.00 C ATOM 651 NH1 ARG A 469 56.153 -7.053 10.839 1.00 1.00 N ATOM 652 NH2 ARG A 469 57.978 -6.505 12.055 1.00 1.00 N ATOM 0 H ARG A 469 58.997 -6.009 4.509 1.00 1.00 H new ATOM 0 HA ARG A 469 60.127 -4.048 6.426 1.00 1.00 H new ATOM 0 HB2 ARG A 469 58.853 -6.771 6.980 1.00 1.00 H new ATOM 0 HB3 ARG A 469 59.762 -5.854 8.164 1.00 1.00 H new ATOM 0 HG2 ARG A 469 58.171 -3.954 7.968 1.00 1.00 H new ATOM 0 HG3 ARG A 469 57.297 -4.785 6.696 1.00 1.00 H new ATOM 0 HD2 ARG A 469 56.110 -5.145 8.809 1.00 1.00 H new ATOM 0 HD3 ARG A 469 56.802 -6.671 8.298 1.00 1.00 H new ATOM 0 HE ARG A 469 58.685 -5.287 9.997 1.00 1.00 H new ATOM 0 HH11 ARG A 469 55.624 -7.004 9.968 1.00 1.00 H new ATOM 0 HH12 ARG A 469 55.784 -7.578 11.632 1.00 1.00 H new ATOM 0 HH21 ARG A 469 58.876 -6.028 12.135 1.00 1.00 H new ATOM 0 HH22 ARG A 469 57.607 -7.031 12.847 1.00 1.00 H new ATOM 666 N LEU A 470 62.285 -5.342 6.614 1.00 1.00 N ATOM 667 CA LEU A 470 63.603 -5.955 6.486 1.00 1.00 C ATOM 668 C LEU A 470 63.576 -7.398 6.980 1.00 1.00 C ATOM 669 O LEU A 470 64.165 -8.284 6.361 1.00 1.00 O ATOM 670 CB LEU A 470 64.631 -5.158 7.294 1.00 1.00 C ATOM 671 CG LEU A 470 64.865 -3.794 6.634 1.00 1.00 C ATOM 672 CD1 LEU A 470 65.717 -2.921 7.557 1.00 1.00 C ATOM 673 CD2 LEU A 470 65.583 -3.966 5.288 1.00 1.00 C ATOM 0 H LEU A 470 62.245 -4.547 7.251 1.00 1.00 H new ATOM 0 HA LEU A 470 63.883 -5.949 5.433 1.00 1.00 H new ATOM 0 HB2 LEU A 470 64.278 -5.022 8.316 1.00 1.00 H new ATOM 0 HB3 LEU A 470 65.569 -5.710 7.352 1.00 1.00 H new ATOM 0 HG LEU A 470 63.900 -3.317 6.460 1.00 1.00 H new ATOM 0 HD11 LEU A 470 65.884 -1.951 7.089 1.00 1.00 H new ATOM 0 HD12 LEU A 470 65.199 -2.781 8.506 1.00 1.00 H new ATOM 0 HD13 LEU A 470 66.676 -3.408 7.735 1.00 1.00 H new ATOM 0 HD21 LEU A 470 65.741 -2.988 4.833 1.00 1.00 H new ATOM 0 HD22 LEU A 470 66.545 -4.452 5.448 1.00 1.00 H new ATOM 0 HD23 LEU A 470 64.973 -4.580 4.626 1.00 1.00 H new ATOM 685 N ARG A 471 62.889 -7.624 8.097 1.00 1.00 N ATOM 686 CA ARG A 471 62.790 -8.964 8.668 1.00 1.00 C ATOM 687 C ARG A 471 61.334 -9.321 8.953 1.00 1.00 C ATOM 688 O ARG A 471 60.538 -8.458 9.322 1.00 1.00 O ATOM 689 CB ARG A 471 63.599 -9.041 9.963 1.00 1.00 C ATOM 690 CG ARG A 471 65.091 -8.935 9.641 1.00 1.00 C ATOM 691 CD ARG A 471 65.897 -8.959 10.940 1.00 1.00 C ATOM 692 NE ARG A 471 67.323 -8.865 10.651 1.00 1.00 N ATOM 693 CZ ARG A 471 68.218 -8.767 11.628 1.00 1.00 C ATOM 694 NH1 ARG A 471 67.826 -8.753 12.873 1.00 1.00 N ATOM 695 NH2 ARG A 471 69.488 -8.683 11.343 1.00 1.00 N ATOM 0 H ARG A 471 62.396 -6.902 8.622 1.00 1.00 H new ATOM 0 HA ARG A 471 63.191 -9.675 7.946 1.00 1.00 H new ATOM 0 HB2 ARG A 471 63.304 -8.237 10.637 1.00 1.00 H new ATOM 0 HB3 ARG A 471 63.393 -9.980 10.477 1.00 1.00 H new ATOM 0 HG2 ARG A 471 65.394 -9.761 8.997 1.00 1.00 H new ATOM 0 HG3 ARG A 471 65.291 -8.014 9.094 1.00 1.00 H new ATOM 0 HD2 ARG A 471 65.593 -8.131 11.580 1.00 1.00 H new ATOM 0 HD3 ARG A 471 65.690 -9.878 11.488 1.00 1.00 H new ATOM 0 HE ARG A 471 67.639 -8.875 9.681 1.00 1.00 H new ATOM 0 HH11 ARG A 471 66.833 -8.817 13.096 1.00 1.00 H new ATOM 0 HH12 ARG A 471 68.513 -8.678 13.623 1.00 1.00 H new ATOM 0 HH21 ARG A 471 69.794 -8.693 10.370 1.00 1.00 H new ATOM 0 HH22 ARG A 471 70.175 -8.608 12.093 1.00 1.00 H new ATOM 709 N ARG A 472 60.999 -10.596 8.777 1.00 1.00 N ATOM 710 CA ARG A 472 59.638 -11.066 9.016 1.00 1.00 C ATOM 711 C ARG A 472 59.644 -12.236 9.996 1.00 1.00 C ATOM 712 O ARG A 472 60.428 -13.173 9.853 1.00 1.00 O ATOM 713 CB ARG A 472 58.999 -11.502 7.696 1.00 1.00 C ATOM 714 CG ARG A 472 57.539 -11.900 7.934 1.00 1.00 C ATOM 715 CD ARG A 472 56.896 -12.297 6.605 1.00 1.00 C ATOM 716 NE ARG A 472 57.529 -13.501 6.076 1.00 1.00 N ATOM 717 CZ ARG A 472 57.199 -13.985 4.884 1.00 1.00 C ATOM 718 NH1 ARG A 472 56.293 -13.383 4.163 1.00 1.00 N ATOM 719 NH2 ARG A 472 57.781 -15.062 4.434 1.00 1.00 N ATOM 0 H ARG A 472 61.649 -11.320 8.471 1.00 1.00 H new ATOM 0 HA ARG A 472 59.058 -10.250 9.446 1.00 1.00 H new ATOM 0 HB2 ARG A 472 59.051 -10.690 6.970 1.00 1.00 H new ATOM 0 HB3 ARG A 472 59.551 -12.342 7.274 1.00 1.00 H new ATOM 0 HG2 ARG A 472 57.487 -12.731 8.638 1.00 1.00 H new ATOM 0 HG3 ARG A 472 56.993 -11.069 8.381 1.00 1.00 H new ATOM 0 HD2 ARG A 472 55.829 -12.471 6.747 1.00 1.00 H new ATOM 0 HD3 ARG A 472 56.993 -11.482 5.888 1.00 1.00 H new ATOM 0 HE ARG A 472 58.238 -13.980 6.632 1.00 1.00 H new ATOM 0 HH11 ARG A 472 55.838 -12.541 4.515 1.00 1.00 H new ATOM 0 HH12 ARG A 472 56.040 -13.755 3.248 1.00 1.00 H new ATOM 0 HH21 ARG A 472 58.489 -15.532 4.997 1.00 1.00 H new ATOM 0 HH22 ARG A 472 57.528 -15.434 3.519 1.00 1.00 H new ATOM 733 N LYS A 473 58.764 -12.172 10.991 1.00 1.00 N ATOM 734 CA LYS A 473 58.679 -13.233 11.989 1.00 1.00 C ATOM 735 C LYS A 473 60.054 -13.520 12.582 1.00 1.00 C ATOM 736 O LYS A 473 60.708 -14.431 12.099 1.00 1.00 O ATOM 737 CB LYS A 473 58.117 -14.505 11.349 1.00 1.00 C ATOM 738 CG LYS A 473 57.917 -15.576 12.425 1.00 1.00 C ATOM 739 CD LYS A 473 57.303 -16.826 11.795 1.00 1.00 C ATOM 740 CE LYS A 473 57.086 -17.888 12.874 1.00 1.00 C ATOM 741 NZ LYS A 473 56.470 -19.098 12.262 1.00 1.00 N ATOM 742 OXT LYS A 473 60.431 -12.826 13.511 1.00 1.00 O ATOM 0 H LYS A 473 58.106 -11.405 11.127 1.00 1.00 H new ATOM 0 HA LYS A 473 58.014 -12.906 12.788 1.00 1.00 H new ATOM 0 HB2 LYS A 473 57.169 -14.288 10.857 1.00 1.00 H new ATOM 0 HB3 LYS A 473 58.799 -14.870 10.581 1.00 1.00 H new ATOM 0 HG2 LYS A 473 58.872 -15.822 12.890 1.00 1.00 H new ATOM 0 HG3 LYS A 473 57.267 -15.197 13.214 1.00 1.00 H new ATOM 0 HD2 LYS A 473 56.355 -16.578 11.319 1.00 1.00 H new ATOM 0 HD3 LYS A 473 57.959 -17.213 11.016 1.00 1.00 H new ATOM 0 HE2 LYS A 473 58.036 -18.147 13.341 1.00 1.00 H new ATOM 0 HE3 LYS A 473 56.441 -17.496 13.660 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 56.322 -19.821 12.995 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 55.556 -18.844 11.836 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 57.102 -19.475 11.527 1.00 1.00 H new TER 756 LYS A 473