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 Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot -10:sc= 0.874 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 180:sc= 0 USER MOD Single : A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 80:sc= 1.14 USER MOD Single : A 463 CYS SG : rot 77:sc= 0.612 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 35.058 32.648 5.025 1.00 1.00 N ATOM 2 CA GLY A 430 34.779 34.053 5.439 1.00 1.00 C ATOM 3 C GLY A 430 33.513 34.092 6.287 1.00 1.00 C ATOM 4 O GLY A 430 32.488 33.520 5.917 1.00 1.00 O ATOM 0 HA2 GLY A 430 35.621 34.450 6.006 1.00 1.00 H new ATOM 0 HA3 GLY A 430 34.660 34.686 4.559 1.00 1.00 H new ATOM 10 N LYS A 431 33.589 34.771 7.426 1.00 1.00 N ATOM 11 CA LYS A 431 32.441 34.877 8.319 1.00 1.00 C ATOM 12 C LYS A 431 31.294 35.605 7.625 1.00 1.00 C ATOM 13 O LYS A 431 30.137 35.205 7.738 1.00 1.00 O ATOM 14 CB LYS A 431 32.833 35.632 9.591 1.00 1.00 C ATOM 15 CG LYS A 431 33.817 34.790 10.403 1.00 1.00 C ATOM 16 CD LYS A 431 34.220 35.553 11.667 1.00 1.00 C ATOM 17 CE LYS A 431 35.198 34.707 12.484 1.00 1.00 C ATOM 18 NZ LYS A 431 35.597 35.452 13.710 1.00 1.00 N ATOM 0 H LYS A 431 34.427 35.253 7.751 1.00 1.00 H new ATOM 0 HA LYS A 431 32.114 33.871 8.583 1.00 1.00 H new ATOM 0 HB2 LYS A 431 33.285 36.590 9.333 1.00 1.00 H new ATOM 0 HB3 LYS A 431 31.946 35.848 10.186 1.00 1.00 H new ATOM 0 HG2 LYS A 431 33.362 33.837 10.671 1.00 1.00 H new ATOM 0 HG3 LYS A 431 34.700 34.565 9.804 1.00 1.00 H new ATOM 0 HD2 LYS A 431 34.681 36.504 11.399 1.00 1.00 H new ATOM 0 HD3 LYS A 431 33.337 35.784 12.263 1.00 1.00 H new ATOM 0 HE2 LYS A 431 34.735 33.759 12.757 1.00 1.00 H new ATOM 0 HE3 LYS A 431 36.079 34.471 11.886 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 36.262 34.876 14.265 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 36.055 36.346 13.440 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 34.753 35.655 14.283 1.00 1.00 H new ATOM 32 N ARG A 432 31.627 36.672 6.904 1.00 1.00 N ATOM 33 CA ARG A 432 30.617 37.445 6.191 1.00 1.00 C ATOM 34 C ARG A 432 29.975 36.598 5.094 1.00 1.00 C ATOM 35 O ARG A 432 28.767 36.666 4.870 1.00 1.00 O ATOM 36 CB ARG A 432 31.255 38.690 5.571 1.00 1.00 C ATOM 37 CG ARG A 432 31.623 39.681 6.677 1.00 1.00 C ATOM 38 CD ARG A 432 32.305 40.901 6.060 1.00 1.00 C ATOM 39 NE ARG A 432 32.652 41.865 7.099 1.00 1.00 N ATOM 40 CZ ARG A 432 33.353 42.957 6.818 1.00 1.00 C ATOM 41 NH1 ARG A 432 33.748 43.183 5.595 1.00 1.00 N ATOM 42 NH2 ARG A 432 33.647 43.803 7.768 1.00 1.00 N ATOM 0 H ARG A 432 32.581 37.018 6.799 1.00 1.00 H new ATOM 0 HA ARG A 432 29.847 37.748 6.900 1.00 1.00 H new ATOM 0 HB2 ARG A 432 32.145 38.412 5.006 1.00 1.00 H new ATOM 0 HB3 ARG A 432 30.563 39.154 4.868 1.00 1.00 H new ATOM 0 HG2 ARG A 432 30.728 39.986 7.219 1.00 1.00 H new ATOM 0 HG3 ARG A 432 32.287 39.206 7.400 1.00 1.00 H new ATOM 0 HD2 ARG A 432 33.203 40.593 5.525 1.00 1.00 H new ATOM 0 HD3 ARG A 432 31.643 41.366 5.329 1.00 1.00 H new ATOM 0 HE ARG A 432 32.350 41.697 8.059 1.00 1.00 H new ATOM 0 HH11 ARG A 432 33.518 42.521 4.854 1.00 1.00 H new ATOM 0 HH12 ARG A 432 34.286 44.022 5.380 1.00 1.00 H new ATOM 0 HH21 ARG A 432 33.338 43.624 8.724 1.00 1.00 H new ATOM 0 HH22 ARG A 432 34.185 44.643 7.555 1.00 1.00 H new ATOM 56 N SER A 433 30.792 35.802 4.413 1.00 1.00 N ATOM 57 CA SER A 433 30.300 34.943 3.340 1.00 1.00 C ATOM 58 C SER A 433 29.396 33.844 3.891 1.00 1.00 C ATOM 59 O SER A 433 28.607 33.258 3.150 1.00 1.00 O ATOM 60 CB SER A 433 31.477 34.310 2.596 1.00 1.00 C ATOM 61 OG SER A 433 32.259 33.550 3.507 1.00 1.00 O ATOM 0 H SER A 433 31.795 35.733 4.584 1.00 1.00 H new ATOM 0 HA SER A 433 29.720 35.558 2.652 1.00 1.00 H new ATOM 0 HB2 SER A 433 31.112 33.671 1.792 1.00 1.00 H new ATOM 0 HB3 SER A 433 32.088 35.085 2.134 1.00 1.00 H new ATOM 0 HG SER A 433 31.966 33.736 4.424 1.00 1.00 H new ATOM 67 N TRP A 434 29.522 33.574 5.192 1.00 1.00 N ATOM 68 CA TRP A 434 28.721 32.539 5.851 1.00 1.00 C ATOM 69 C TRP A 434 28.438 31.378 4.904 1.00 1.00 C ATOM 70 O TRP A 434 27.494 31.422 4.114 1.00 1.00 O ATOM 71 CB TRP A 434 27.395 33.124 6.341 1.00 1.00 C ATOM 72 CG TRP A 434 27.646 34.060 7.479 1.00 1.00 C ATOM 73 CD1 TRP A 434 27.547 35.408 7.414 1.00 1.00 C ATOM 74 CD2 TRP A 434 28.039 33.743 8.844 1.00 1.00 C ATOM 75 NE1 TRP A 434 27.853 35.938 8.655 1.00 1.00 N ATOM 76 CE2 TRP A 434 28.164 34.951 9.569 1.00 1.00 C ATOM 77 CE3 TRP A 434 28.296 32.535 9.517 1.00 1.00 C ATOM 78 CZ2 TRP A 434 28.531 34.961 10.917 1.00 1.00 C ATOM 79 CZ3 TRP A 434 28.665 32.541 10.871 1.00 1.00 C ATOM 80 CH2 TRP A 434 28.782 33.751 11.569 1.00 1.00 C ATOM 0 H TRP A 434 30.172 34.058 5.811 1.00 1.00 H new ATOM 0 HA TRP A 434 29.294 32.168 6.701 1.00 1.00 H new ATOM 0 HB2 TRP A 434 26.896 33.651 5.527 1.00 1.00 H new ATOM 0 HB3 TRP A 434 26.728 32.322 6.658 1.00 1.00 H new ATOM 0 HD1 TRP A 434 27.274 35.977 6.537 1.00 1.00 H new ATOM 0 HE1 TRP A 434 27.849 36.935 8.868 1.00 1.00 H new ATOM 0 HE3 TRP A 434 28.209 31.597 8.989 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 28.620 35.896 11.450 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 28.860 31.608 11.378 1.00 1.00 H new ATOM 0 HH2 TRP A 434 29.066 33.748 12.611 1.00 1.00 H new ATOM 91 N ASP A 435 29.256 30.335 4.997 1.00 1.00 N ATOM 92 CA ASP A 435 29.080 29.163 4.147 1.00 1.00 C ATOM 93 C ASP A 435 28.262 28.098 4.870 1.00 1.00 C ATOM 94 O ASP A 435 28.726 27.497 5.840 1.00 1.00 O ATOM 95 CB ASP A 435 30.444 28.588 3.762 1.00 1.00 C ATOM 96 CG ASP A 435 30.276 27.573 2.637 1.00 1.00 C ATOM 97 OD1 ASP A 435 29.163 27.109 2.445 1.00 1.00 O ATOM 98 OD2 ASP A 435 31.261 27.273 1.983 1.00 1.00 O ATOM 0 H ASP A 435 30.041 30.277 5.646 1.00 1.00 H new ATOM 0 HA ASP A 435 28.547 29.466 3.246 1.00 1.00 H new ATOM 0 HB2 ASP A 435 31.111 29.390 3.445 1.00 1.00 H new ATOM 0 HB3 ASP A 435 30.906 28.113 4.627 1.00 1.00 H new ATOM 103 N THR A 436 27.044 27.868 4.388 1.00 1.00 N ATOM 104 CA THR A 436 26.169 26.872 4.996 1.00 1.00 C ATOM 105 C THR A 436 26.793 25.484 4.894 1.00 1.00 C ATOM 106 O THR A 436 26.813 24.727 5.866 1.00 1.00 O ATOM 107 CB THR A 436 24.809 26.875 4.296 1.00 1.00 C ATOM 108 OG1 THR A 436 24.330 28.210 4.203 1.00 1.00 O ATOM 109 CG2 THR A 436 23.818 26.026 5.095 1.00 1.00 C ATOM 0 H THR A 436 26.644 28.353 3.585 1.00 1.00 H new ATOM 0 HA THR A 436 26.035 27.124 6.048 1.00 1.00 H new ATOM 0 HB THR A 436 24.914 26.456 3.295 1.00 1.00 H new ATOM 0 HG1 THR A 436 23.459 28.215 3.753 1.00 1.00 H new ATOM 0 HG21 THR A 436 22.850 26.030 4.595 1.00 1.00 H new ATOM 0 HG22 THR A 436 24.188 25.003 5.163 1.00 1.00 H new ATOM 0 HG23 THR A 436 23.710 26.440 6.097 1.00 1.00 H new ATOM 117 N GLU A 437 27.304 25.160 3.711 1.00 1.00 N ATOM 118 CA GLU A 437 27.931 23.859 3.489 1.00 1.00 C ATOM 119 C GLU A 437 29.189 23.729 4.345 1.00 1.00 C ATOM 120 O GLU A 437 29.965 24.674 4.480 1.00 1.00 O ATOM 121 CB GLU A 437 28.299 23.696 2.008 1.00 1.00 C ATOM 122 CG GLU A 437 27.021 23.656 1.164 1.00 1.00 C ATOM 123 CD GLU A 437 26.191 22.419 1.494 1.00 1.00 C ATOM 124 OE1 GLU A 437 26.759 21.470 2.009 1.00 1.00 O ATOM 125 OE2 GLU A 437 24.993 22.454 1.264 1.00 1.00 O ATOM 0 H GLU A 437 27.298 25.774 2.896 1.00 1.00 H new ATOM 0 HA GLU A 437 27.223 23.079 3.771 1.00 1.00 H new ATOM 0 HB2 GLU A 437 28.933 24.522 1.687 1.00 1.00 H new ATOM 0 HB3 GLU A 437 28.872 22.780 1.863 1.00 1.00 H new ATOM 0 HG2 GLU A 437 26.431 24.554 1.347 1.00 1.00 H new ATOM 0 HG3 GLU A 437 27.279 23.654 0.105 1.00 1.00 H new ATOM 132 N SER A 438 29.384 22.548 4.922 1.00 1.00 N ATOM 133 CA SER A 438 30.551 22.307 5.761 1.00 1.00 C ATOM 134 C SER A 438 31.803 22.137 4.907 1.00 1.00 C ATOM 135 O SER A 438 31.718 21.844 3.714 1.00 1.00 O ATOM 136 CB SER A 438 30.339 21.052 6.609 1.00 1.00 C ATOM 137 OG SER A 438 30.669 19.903 5.839 1.00 1.00 O ATOM 0 H SER A 438 28.756 21.750 4.825 1.00 1.00 H new ATOM 0 HA SER A 438 30.684 23.169 6.415 1.00 1.00 H new ATOM 0 HB2 SER A 438 30.960 21.095 7.504 1.00 1.00 H new ATOM 0 HB3 SER A 438 29.303 20.995 6.942 1.00 1.00 H new ATOM 0 HG SER A 438 30.536 19.097 6.380 1.00 1.00 H new ATOM 143 N VAL A 439 32.965 22.322 5.528 1.00 1.00 N ATOM 144 CA VAL A 439 34.232 22.188 4.816 1.00 1.00 C ATOM 145 C VAL A 439 34.424 20.759 4.319 1.00 1.00 C ATOM 146 O VAL A 439 34.825 20.540 3.177 1.00 1.00 O ATOM 147 CB VAL A 439 35.394 22.564 5.736 1.00 1.00 C ATOM 148 CG1 VAL A 439 36.721 22.233 5.051 1.00 1.00 C ATOM 149 CG2 VAL A 439 35.338 24.061 6.035 1.00 1.00 C ATOM 0 H VAL A 439 33.055 22.563 6.515 1.00 1.00 H new ATOM 0 HA VAL A 439 34.212 22.861 3.959 1.00 1.00 H new ATOM 0 HB VAL A 439 35.317 22.000 6.666 1.00 1.00 H new ATOM 0 HG11 VAL A 439 37.547 22.502 5.709 1.00 1.00 H new ATOM 0 HG12 VAL A 439 36.762 21.166 4.835 1.00 1.00 H new ATOM 0 HG13 VAL A 439 36.800 22.795 4.121 1.00 1.00 H new ATOM 0 HG21 VAL A 439 36.165 24.332 6.691 1.00 1.00 H new ATOM 0 HG22 VAL A 439 35.415 24.621 5.103 1.00 1.00 H new ATOM 0 HG23 VAL A 439 34.394 24.299 6.525 1.00 1.00 H new ATOM 159 N LEU A 440 34.138 19.794 5.188 1.00 1.00 N ATOM 160 CA LEU A 440 34.283 18.386 4.836 1.00 1.00 C ATOM 161 C LEU A 440 32.963 17.642 5.043 1.00 1.00 C ATOM 162 O LEU A 440 32.758 17.010 6.079 1.00 1.00 O ATOM 163 CB LEU A 440 35.370 17.746 5.707 1.00 1.00 C ATOM 164 CG LEU A 440 36.747 18.060 5.123 1.00 1.00 C ATOM 165 CD1 LEU A 440 37.772 18.150 6.258 1.00 1.00 C ATOM 166 CD2 LEU A 440 37.148 16.945 4.155 1.00 1.00 C ATOM 0 H LEU A 440 33.806 19.961 6.138 1.00 1.00 H new ATOM 0 HA LEU A 440 34.565 18.318 3.785 1.00 1.00 H new ATOM 0 HB2 LEU A 440 35.302 18.124 6.727 1.00 1.00 H new ATOM 0 HB3 LEU A 440 35.222 16.667 5.756 1.00 1.00 H new ATOM 0 HG LEU A 440 36.714 19.011 4.591 1.00 1.00 H new ATOM 0 HD11 LEU A 440 38.755 18.374 5.844 1.00 1.00 H new ATOM 0 HD12 LEU A 440 37.481 18.941 6.949 1.00 1.00 H new ATOM 0 HD13 LEU A 440 37.810 17.199 6.790 1.00 1.00 H new ATOM 0 HD21 LEU A 440 38.130 17.163 3.735 1.00 1.00 H new ATOM 0 HD22 LEU A 440 37.185 15.995 4.689 1.00 1.00 H new ATOM 0 HD23 LEU A 440 36.415 16.881 3.350 1.00 1.00 H new ATOM 178 N PRO A 441 32.069 17.702 4.083 1.00 1.00 N ATOM 179 CA PRO A 441 30.746 17.009 4.174 1.00 1.00 C ATOM 180 C PRO A 441 30.902 15.492 4.319 1.00 1.00 C ATOM 181 O PRO A 441 31.834 14.894 3.779 1.00 1.00 O ATOM 182 CB PRO A 441 30.042 17.362 2.858 1.00 1.00 C ATOM 183 CG PRO A 441 30.787 18.524 2.286 1.00 1.00 C ATOM 184 CD PRO A 441 32.213 18.437 2.820 1.00 1.00 C ATOM 0 HA PRO A 441 30.184 17.326 5.053 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.054 16.516 2.171 1.00 1.00 H new ATOM 0 HB3 PRO A 441 28.997 17.617 3.032 1.00 1.00 H new ATOM 0 HG2 PRO A 441 30.779 18.490 1.197 1.00 1.00 H new ATOM 0 HG3 PRO A 441 30.321 19.465 2.579 1.00 1.00 H new ATOM 0 HD2 PRO A 441 32.869 17.913 2.125 1.00 1.00 H new ATOM 0 HD3 PRO A 441 32.642 19.426 2.979 1.00 1.00 H new ATOM 192 N MET A 442 30.006 14.886 5.082 1.00 1.00 N ATOM 193 CA MET A 442 30.060 13.443 5.320 1.00 1.00 C ATOM 194 C MET A 442 29.769 12.635 4.050 1.00 1.00 C ATOM 195 O MET A 442 30.364 11.581 3.826 1.00 1.00 O ATOM 196 CB MET A 442 29.059 13.051 6.406 1.00 1.00 C ATOM 197 CG MET A 442 29.494 13.659 7.743 1.00 1.00 C ATOM 198 SD MET A 442 28.317 13.188 9.036 1.00 1.00 S ATOM 199 CE MET A 442 28.949 14.283 10.334 1.00 1.00 C ATOM 0 H MET A 442 29.234 15.364 5.547 1.00 1.00 H new ATOM 0 HA MET A 442 31.075 13.210 5.643 1.00 1.00 H new ATOM 0 HB2 MET A 442 28.062 13.403 6.141 1.00 1.00 H new ATOM 0 HB3 MET A 442 29.002 11.966 6.489 1.00 1.00 H new ATOM 0 HG2 MET A 442 30.494 13.312 8.004 1.00 1.00 H new ATOM 0 HG3 MET A 442 29.544 14.745 7.661 1.00 1.00 H new ATOM 0 HE1 MET A 442 28.356 14.154 11.240 1.00 1.00 H new ATOM 0 HE2 MET A 442 29.990 14.036 10.543 1.00 1.00 H new ATOM 0 HE3 MET A 442 28.881 15.319 10.001 1.00 1.00 H new ATOM 209 N TRP A 443 28.819 13.109 3.243 1.00 1.00 N ATOM 210 CA TRP A 443 28.441 12.377 2.033 1.00 1.00 C ATOM 211 C TRP A 443 29.612 12.246 1.059 1.00 1.00 C ATOM 212 O TRP A 443 29.895 11.154 0.568 1.00 1.00 O ATOM 213 CB TRP A 443 27.271 13.068 1.329 1.00 1.00 C ATOM 214 CG TRP A 443 27.643 14.472 0.993 1.00 1.00 C ATOM 215 CD1 TRP A 443 27.443 15.539 1.796 1.00 1.00 C ATOM 216 CD2 TRP A 443 28.269 14.982 -0.220 1.00 1.00 C ATOM 217 NE1 TRP A 443 27.904 16.672 1.156 1.00 1.00 N ATOM 218 CE2 TRP A 443 28.423 16.382 -0.090 1.00 1.00 C ATOM 219 CE3 TRP A 443 28.713 14.373 -1.407 1.00 1.00 C ATOM 220 CZ2 TRP A 443 28.997 17.152 -1.100 1.00 1.00 C ATOM 221 CZ3 TRP A 443 29.292 15.146 -2.428 1.00 1.00 C ATOM 222 CH2 TRP A 443 29.432 16.532 -2.274 1.00 1.00 C ATOM 0 H TRP A 443 28.307 13.977 3.399 1.00 1.00 H new ATOM 0 HA TRP A 443 28.141 11.377 2.346 1.00 1.00 H new ATOM 0 HB2 TRP A 443 27.008 12.524 0.421 1.00 1.00 H new ATOM 0 HB3 TRP A 443 26.391 13.059 1.972 1.00 1.00 H new ATOM 0 HD1 TRP A 443 26.995 15.511 2.779 1.00 1.00 H new ATOM 0 HE1 TRP A 443 27.866 17.610 1.555 1.00 1.00 H new ATOM 0 HE3 TRP A 443 28.609 13.306 -1.535 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 29.105 18.219 -0.976 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 29.631 14.669 -3.336 1.00 1.00 H new ATOM 0 HH2 TRP A 443 29.876 17.121 -3.063 1.00 1.00 H new ATOM 233 N VAL A 444 30.294 13.354 0.777 1.00 1.00 N ATOM 234 CA VAL A 444 31.427 13.312 -0.144 1.00 1.00 C ATOM 235 C VAL A 444 32.567 12.482 0.444 1.00 1.00 C ATOM 236 O VAL A 444 33.251 11.751 -0.271 1.00 1.00 O ATOM 237 CB VAL A 444 31.912 14.728 -0.480 1.00 1.00 C ATOM 238 CG1 VAL A 444 32.918 15.210 0.568 1.00 1.00 C ATOM 239 CG2 VAL A 444 32.582 14.723 -1.855 1.00 1.00 C ATOM 0 H VAL A 444 30.088 14.275 1.164 1.00 1.00 H new ATOM 0 HA VAL A 444 31.095 12.838 -1.068 1.00 1.00 H new ATOM 0 HB VAL A 444 31.055 15.401 -0.485 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.253 16.216 0.315 1.00 1.00 H new ATOM 0 HG12 VAL A 444 32.444 15.221 1.549 1.00 1.00 H new ATOM 0 HG13 VAL A 444 33.775 14.537 0.587 1.00 1.00 H new ATOM 0 HG21 VAL A 444 32.927 15.729 -2.095 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.432 14.041 -1.843 1.00 1.00 H new ATOM 0 HG23 VAL A 444 31.865 14.396 -2.608 1.00 1.00 H new ATOM 249 N LEU A 445 32.766 12.607 1.753 1.00 1.00 N ATOM 250 CA LEU A 445 33.827 11.874 2.433 1.00 1.00 C ATOM 251 C LEU A 445 33.602 10.368 2.323 1.00 1.00 C ATOM 252 O LEU A 445 34.542 9.601 2.107 1.00 1.00 O ATOM 253 CB LEU A 445 33.873 12.283 3.909 1.00 1.00 C ATOM 254 CG LEU A 445 34.972 11.505 4.648 1.00 1.00 C ATOM 255 CD1 LEU A 445 36.327 11.747 3.980 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.032 11.982 6.097 1.00 1.00 C ATOM 0 H LEU A 445 32.208 13.207 2.361 1.00 1.00 H new ATOM 0 HA LEU A 445 34.776 12.117 1.956 1.00 1.00 H new ATOM 0 HB2 LEU A 445 34.060 13.354 3.990 1.00 1.00 H new ATOM 0 HB3 LEU A 445 32.907 12.092 4.376 1.00 1.00 H new ATOM 0 HG LEU A 445 34.744 10.440 4.614 1.00 1.00 H new ATOM 0 HD11 LEU A 445 37.099 11.191 4.512 1.00 1.00 H new ATOM 0 HD12 LEU A 445 36.287 11.412 2.944 1.00 1.00 H new ATOM 0 HD13 LEU A 445 36.562 12.811 4.008 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.810 11.434 6.628 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.258 13.048 6.120 1.00 1.00 H new ATOM 0 HD23 LEU A 445 34.070 11.805 6.578 1.00 1.00 H new ATOM 268 N ALA A 446 32.351 9.953 2.499 1.00 1.00 N ATOM 269 CA ALA A 446 32.003 8.538 2.443 1.00 1.00 C ATOM 270 C ALA A 446 32.294 7.945 1.064 1.00 1.00 C ATOM 271 O ALA A 446 32.773 6.819 0.939 1.00 1.00 O ATOM 272 CB ALA A 446 30.520 8.355 2.774 1.00 1.00 C ATOM 0 H ALA A 446 31.563 10.575 2.681 1.00 1.00 H new ATOM 0 HA ALA A 446 32.615 8.013 3.177 1.00 1.00 H new ATOM 0 HB1 ALA A 446 30.266 7.296 2.731 1.00 1.00 H new ATOM 0 HB2 ALA A 446 30.321 8.735 3.776 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.916 8.903 2.051 1.00 1.00 H new ATOM 278 N LEU A 447 31.982 8.733 0.033 1.00 1.00 N ATOM 279 CA LEU A 447 32.185 8.318 -1.355 1.00 1.00 C ATOM 280 C LEU A 447 33.660 8.096 -1.660 1.00 1.00 C ATOM 281 O LEU A 447 34.023 7.158 -2.374 1.00 1.00 O ATOM 282 CB LEU A 447 31.623 9.378 -2.306 1.00 1.00 C ATOM 283 CG LEU A 447 30.096 9.394 -2.208 1.00 1.00 C ATOM 284 CD1 LEU A 447 29.561 10.588 -2.991 1.00 1.00 C ATOM 285 CD2 LEU A 447 29.506 8.101 -2.788 1.00 1.00 C ATOM 0 H LEU A 447 31.586 9.667 0.135 1.00 1.00 H new ATOM 0 HA LEU A 447 31.659 7.374 -1.500 1.00 1.00 H new ATOM 0 HB2 LEU A 447 32.025 10.359 -2.052 1.00 1.00 H new ATOM 0 HB3 LEU A 447 31.930 9.163 -3.330 1.00 1.00 H new ATOM 0 HG LEU A 447 29.808 9.471 -1.160 1.00 1.00 H new ATOM 0 HD11 LEU A 447 28.473 10.607 -2.927 1.00 1.00 H new ATOM 0 HD12 LEU A 447 29.966 11.509 -2.572 1.00 1.00 H new ATOM 0 HD13 LEU A 447 29.861 10.502 -4.035 1.00 1.00 H new ATOM 0 HD21 LEU A 447 28.419 8.130 -2.710 1.00 1.00 H new ATOM 0 HD22 LEU A 447 29.792 8.008 -3.836 1.00 1.00 H new ATOM 0 HD23 LEU A 447 29.887 7.245 -2.231 1.00 1.00 H new ATOM 297 N ILE A 448 34.501 8.980 -1.130 1.00 1.00 N ATOM 298 CA ILE A 448 35.939 8.894 -1.361 1.00 1.00 C ATOM 299 C ILE A 448 36.494 7.596 -0.791 1.00 1.00 C ATOM 300 O ILE A 448 37.305 6.925 -1.429 1.00 1.00 O ATOM 301 CB ILE A 448 36.648 10.084 -0.706 1.00 1.00 C ATOM 302 CG1 ILE A 448 36.265 11.368 -1.448 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.165 9.886 -0.782 1.00 1.00 C ATOM 304 CD1 ILE A 448 36.727 12.595 -0.653 1.00 1.00 C ATOM 0 H ILE A 448 34.213 9.761 -0.540 1.00 1.00 H new ATOM 0 HA ILE A 448 36.116 8.913 -2.436 1.00 1.00 H new ATOM 0 HB ILE A 448 36.346 10.157 0.339 1.00 1.00 H new ATOM 0 HG12 ILE A 448 36.720 11.374 -2.438 1.00 1.00 H new ATOM 0 HG13 ILE A 448 35.185 11.405 -1.593 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.666 10.734 -0.315 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.439 8.970 -0.259 1.00 1.00 H new ATOM 0 HG23 ILE A 448 38.471 9.813 -1.826 1.00 1.00 H new ATOM 0 HD11 ILE A 448 36.449 13.502 -1.190 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.251 12.594 0.328 1.00 1.00 H new ATOM 0 HD13 ILE A 448 37.810 12.563 -0.531 1.00 1.00 H new ATOM 316 N VAL A 449 36.054 7.246 0.416 1.00 1.00 N ATOM 317 CA VAL A 449 36.516 6.029 1.071 1.00 1.00 C ATOM 318 C VAL A 449 36.139 4.801 0.248 1.00 1.00 C ATOM 319 O VAL A 449 36.949 3.896 0.053 1.00 1.00 O ATOM 320 CB VAL A 449 35.908 5.924 2.477 1.00 1.00 C ATOM 321 CG1 VAL A 449 36.230 4.552 3.074 1.00 1.00 C ATOM 322 CG2 VAL A 449 36.489 7.026 3.375 1.00 1.00 C ATOM 0 H VAL A 449 35.380 7.788 0.957 1.00 1.00 H new ATOM 0 HA VAL A 449 37.602 6.072 1.154 1.00 1.00 H new ATOM 0 HB VAL A 449 34.827 6.045 2.412 1.00 1.00 H new ATOM 0 HG11 VAL A 449 35.798 4.479 4.072 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.811 3.771 2.439 1.00 1.00 H new ATOM 0 HG13 VAL A 449 37.311 4.427 3.137 1.00 1.00 H new ATOM 0 HG21 VAL A 449 36.056 6.949 4.372 1.00 1.00 H new ATOM 0 HG22 VAL A 449 37.571 6.910 3.440 1.00 1.00 H new ATOM 0 HG23 VAL A 449 36.253 8.002 2.951 1.00 1.00 H new ATOM 332 N ILE A 450 34.908 4.779 -0.242 1.00 1.00 N ATOM 333 CA ILE A 450 34.432 3.656 -1.035 1.00 1.00 C ATOM 334 C ILE A 450 35.244 3.491 -2.327 1.00 1.00 C ATOM 335 O ILE A 450 35.577 2.361 -2.684 1.00 1.00 O ATOM 336 CB ILE A 450 32.960 3.859 -1.395 1.00 1.00 C ATOM 337 CG1 ILE A 450 32.079 3.769 -0.131 1.00 1.00 C ATOM 338 CG2 ILE A 450 32.532 2.811 -2.429 1.00 1.00 C ATOM 339 CD1 ILE A 450 32.218 2.402 0.549 1.00 1.00 C ATOM 0 H ILE A 450 34.224 5.523 -0.105 1.00 1.00 H new ATOM 0 HA ILE A 450 34.552 2.755 -0.434 1.00 1.00 H new ATOM 0 HB ILE A 450 32.832 4.852 -1.826 1.00 1.00 H new ATOM 0 HG12 ILE A 450 32.361 4.556 0.568 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.036 3.940 -0.399 1.00 1.00 H new ATOM 0 HG21 ILE A 450 31.482 2.958 -2.683 1.00 1.00 H new ATOM 0 HG22 ILE A 450 33.141 2.916 -3.327 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.668 1.813 -2.013 1.00 1.00 H new ATOM 0 HD11 ILE A 450 31.585 2.371 1.436 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.911 1.618 -0.144 1.00 1.00 H new ATOM 0 HD13 ILE A 450 33.257 2.244 0.839 1.00 1.00 H new ATOM 351 N PHE A 451 35.569 4.575 -3.034 1.00 1.00 N ATOM 352 CA PHE A 451 36.347 4.430 -4.273 1.00 1.00 C ATOM 353 C PHE A 451 37.700 3.788 -3.962 1.00 1.00 C ATOM 354 O PHE A 451 38.171 2.879 -4.654 1.00 1.00 O ATOM 355 CB PHE A 451 36.580 5.792 -4.943 1.00 1.00 C ATOM 356 CG PHE A 451 35.304 6.281 -5.596 1.00 1.00 C ATOM 357 CD1 PHE A 451 34.762 5.575 -6.672 1.00 1.00 C ATOM 358 CD2 PHE A 451 34.657 7.432 -5.119 1.00 1.00 C ATOM 359 CE1 PHE A 451 33.578 6.010 -7.276 1.00 1.00 C ATOM 360 CE2 PHE A 451 33.467 7.865 -5.719 1.00 1.00 C ATOM 361 CZ PHE A 451 32.927 7.153 -6.798 1.00 1.00 C ATOM 0 H PHE A 451 35.318 5.532 -2.785 1.00 1.00 H new ATOM 0 HA PHE A 451 35.780 3.797 -4.955 1.00 1.00 H new ATOM 0 HB2 PHE A 451 36.918 6.516 -4.202 1.00 1.00 H new ATOM 0 HB3 PHE A 451 37.370 5.707 -5.690 1.00 1.00 H new ATOM 0 HD1 PHE A 451 35.259 4.689 -7.039 1.00 1.00 H new ATOM 0 HD2 PHE A 451 35.076 7.983 -4.290 1.00 1.00 H new ATOM 0 HE1 PHE A 451 33.166 5.464 -8.112 1.00 1.00 H new ATOM 0 HE2 PHE A 451 32.966 8.748 -5.350 1.00 1.00 H new ATOM 0 HZ PHE A 451 32.009 7.486 -7.260 1.00 1.00 H new ATOM 371 N LEU A 452 38.301 4.286 -2.889 1.00 1.00 N ATOM 372 CA LEU A 452 39.593 3.783 -2.415 1.00 1.00 C ATOM 373 C LEU A 452 39.429 2.334 -1.930 1.00 1.00 C ATOM 374 O LEU A 452 40.335 1.503 -2.075 1.00 1.00 O ATOM 375 CB LEU A 452 40.124 4.666 -1.270 1.00 1.00 C ATOM 376 CG LEU A 452 40.504 6.068 -1.791 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.795 6.984 -0.595 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.738 5.993 -2.696 1.00 1.00 C ATOM 0 H LEU A 452 37.915 5.043 -2.324 1.00 1.00 H new ATOM 0 HA LEU A 452 40.311 3.812 -3.235 1.00 1.00 H new ATOM 0 HB2 LEU A 452 39.366 4.755 -0.492 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.994 4.194 -0.814 1.00 1.00 H new ATOM 0 HG LEU A 452 39.674 6.467 -2.374 1.00 1.00 H new ATOM 0 HD11 LEU A 452 41.064 7.977 -0.954 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.908 7.054 0.034 1.00 1.00 H new ATOM 0 HD13 LEU A 452 41.620 6.572 -0.014 1.00 1.00 H new ATOM 0 HD21 LEU A 452 41.989 6.992 -3.053 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.578 5.587 -2.133 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.526 5.347 -3.548 1.00 1.00 H new ATOM 390 N THR A 453 38.271 2.031 -1.357 1.00 1.00 N ATOM 391 CA THR A 453 38.003 0.676 -0.873 1.00 1.00 C ATOM 392 C THR A 453 38.040 -0.292 -2.048 1.00 1.00 C ATOM 393 O THR A 453 38.571 -1.398 -1.972 1.00 1.00 O ATOM 394 CB THR A 453 36.646 0.621 -0.182 1.00 1.00 C ATOM 395 OG1 THR A 453 36.659 1.546 0.889 1.00 1.00 O ATOM 396 CG2 THR A 453 36.420 -0.791 0.377 1.00 1.00 C ATOM 0 H THR A 453 37.509 2.694 -1.216 1.00 1.00 H new ATOM 0 HA THR A 453 38.766 0.392 -0.148 1.00 1.00 H new ATOM 0 HB THR A 453 35.851 0.864 -0.887 1.00 1.00 H new ATOM 0 HG1 THR A 453 36.502 2.449 0.543 1.00 1.00 H new ATOM 0 HG21 THR A 453 35.450 -0.835 0.872 1.00 1.00 H new ATOM 0 HG22 THR A 453 36.444 -1.513 -0.439 1.00 1.00 H new ATOM 0 HG23 THR A 453 37.205 -1.028 1.095 1.00 1.00 H new ATOM 404 N ILE A 454 37.444 0.151 -3.140 1.00 1.00 N ATOM 405 CA ILE A 454 37.401 -0.649 -4.365 1.00 1.00 C ATOM 406 C ILE A 454 38.817 -0.841 -4.914 1.00 1.00 C ATOM 407 O ILE A 454 39.174 -1.939 -5.339 1.00 1.00 O ATOM 408 CB ILE A 454 36.521 0.031 -5.417 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.066 0.012 -4.937 1.00 1.00 C ATOM 410 CG2 ILE A 454 36.676 -0.696 -6.774 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.249 0.958 -5.819 1.00 1.00 C ATOM 0 H ILE A 454 36.982 1.058 -3.211 1.00 1.00 H new ATOM 0 HA ILE A 454 36.973 -1.624 -4.130 1.00 1.00 H new ATOM 0 HB ILE A 454 36.828 1.068 -5.555 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.663 -0.999 -4.992 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.008 0.322 -3.894 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.048 -0.210 -7.521 1.00 1.00 H new ATOM 0 HG22 ILE A 454 37.718 -0.654 -7.092 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.371 -1.737 -6.666 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.210 0.956 -5.490 1.00 1.00 H new ATOM 0 HD12 ILE A 454 34.652 1.968 -5.741 1.00 1.00 H new ATOM 0 HD13 ILE A 454 34.302 0.626 -6.856 1.00 1.00 H new ATOM 423 N ALA A 455 39.620 0.224 -4.913 1.00 1.00 N ATOM 424 CA ALA A 455 40.988 0.129 -5.428 1.00 1.00 C ATOM 425 C ALA A 455 41.747 -0.977 -4.685 1.00 1.00 C ATOM 426 O ALA A 455 42.466 -1.776 -5.291 1.00 1.00 O ATOM 427 CB ALA A 455 41.706 1.473 -5.254 1.00 1.00 C ATOM 0 H ALA A 455 39.354 1.147 -4.568 1.00 1.00 H new ATOM 0 HA ALA A 455 40.955 -0.117 -6.489 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.723 1.395 -5.639 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.169 2.246 -5.803 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.738 1.734 -4.196 1.00 1.00 H new ATOM 433 N VAL A 456 41.544 -1.033 -3.370 1.00 1.00 N ATOM 434 CA VAL A 456 42.179 -2.052 -2.531 1.00 1.00 C ATOM 435 C VAL A 456 41.710 -3.447 -2.927 1.00 1.00 C ATOM 436 O VAL A 456 42.525 -4.362 -3.024 1.00 1.00 O ATOM 437 CB VAL A 456 41.846 -1.791 -1.062 1.00 1.00 C ATOM 438 CG1 VAL A 456 42.368 -2.942 -0.200 1.00 1.00 C ATOM 439 CG2 VAL A 456 42.506 -0.482 -0.624 1.00 1.00 C ATOM 0 H VAL A 456 40.944 -0.384 -2.860 1.00 1.00 H new ATOM 0 HA VAL A 456 43.258 -1.997 -2.675 1.00 1.00 H new ATOM 0 HB VAL A 456 40.765 -1.717 -0.941 1.00 1.00 H new ATOM 0 HG11 VAL A 456 42.128 -2.751 0.846 1.00 1.00 H new ATOM 0 HG12 VAL A 456 41.899 -3.874 -0.515 1.00 1.00 H new ATOM 0 HG13 VAL A 456 43.449 -3.022 -0.316 1.00 1.00 H new ATOM 0 HG21 VAL A 456 42.273 -0.289 0.423 1.00 1.00 H new ATOM 0 HG22 VAL A 456 43.586 -0.560 -0.747 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.130 0.338 -1.236 1.00 1.00 H new ATOM 449 N LEU A 457 40.416 -3.618 -3.163 1.00 1.00 N ATOM 450 CA LEU A 457 39.891 -4.929 -3.545 1.00 1.00 C ATOM 451 C LEU A 457 40.526 -5.378 -4.856 1.00 1.00 C ATOM 452 O LEU A 457 40.903 -6.541 -5.012 1.00 1.00 O ATOM 453 CB LEU A 457 38.369 -4.859 -3.712 1.00 1.00 C ATOM 454 CG LEU A 457 37.713 -4.649 -2.344 1.00 1.00 C ATOM 455 CD1 LEU A 457 36.219 -4.373 -2.528 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.892 -5.897 -1.465 1.00 1.00 C ATOM 0 H LEU A 457 39.716 -2.879 -3.099 1.00 1.00 H new ATOM 0 HA LEU A 457 40.132 -5.646 -2.760 1.00 1.00 H new ATOM 0 HB2 LEU A 457 38.104 -4.042 -4.383 1.00 1.00 H new ATOM 0 HB3 LEU A 457 38.000 -5.778 -4.167 1.00 1.00 H new ATOM 0 HG LEU A 457 38.190 -3.799 -1.856 1.00 1.00 H new ATOM 0 HD11 LEU A 457 35.754 -4.224 -1.554 1.00 1.00 H new ATOM 0 HD12 LEU A 457 36.087 -3.477 -3.134 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.751 -5.221 -3.027 1.00 1.00 H new ATOM 0 HD21 LEU A 457 37.420 -5.731 -0.497 1.00 1.00 H new ATOM 0 HD22 LEU A 457 37.428 -6.755 -1.952 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.955 -6.092 -1.322 1.00 1.00 H new ATOM 468 N LEU A 458 40.663 -4.446 -5.786 1.00 1.00 N ATOM 469 CA LEU A 458 41.285 -4.747 -7.066 1.00 1.00 C ATOM 470 C LEU A 458 42.737 -5.155 -6.832 1.00 1.00 C ATOM 471 O LEU A 458 43.256 -6.073 -7.469 1.00 1.00 O ATOM 472 CB LEU A 458 41.226 -3.525 -7.988 1.00 1.00 C ATOM 473 CG LEU A 458 39.775 -3.263 -8.420 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.700 -1.934 -9.174 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.279 -4.391 -9.335 1.00 1.00 C ATOM 0 H LEU A 458 40.354 -3.480 -5.680 1.00 1.00 H new ATOM 0 HA LEU A 458 40.747 -5.565 -7.545 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.624 -2.651 -7.473 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.851 -3.690 -8.865 1.00 1.00 H new ATOM 0 HG LEU A 458 39.145 -3.223 -7.531 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.671 -1.747 -9.481 1.00 1.00 H new ATOM 0 HD12 LEU A 458 40.037 -1.127 -8.523 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.339 -1.979 -10.056 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.250 -4.192 -9.633 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.910 -4.444 -10.222 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.325 -5.340 -8.800 1.00 1.00 H new ATOM 487 N ALA A 459 43.383 -4.448 -5.908 1.00 1.00 N ATOM 488 CA ALA A 459 44.780 -4.727 -5.590 1.00 1.00 C ATOM 489 C ALA A 459 44.958 -6.184 -5.161 1.00 1.00 C ATOM 490 O ALA A 459 45.931 -6.838 -5.536 1.00 1.00 O ATOM 491 CB ALA A 459 45.260 -3.800 -4.472 1.00 1.00 C ATOM 0 H ALA A 459 42.967 -3.686 -5.372 1.00 1.00 H new ATOM 0 HA ALA A 459 45.375 -4.551 -6.486 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.303 -4.017 -4.243 1.00 1.00 H new ATOM 0 HB2 ALA A 459 45.167 -2.763 -4.794 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.652 -3.959 -3.581 1.00 1.00 H new ATOM 497 N LEU A 460 44.014 -6.686 -4.367 1.00 1.00 N ATOM 498 CA LEU A 460 44.078 -8.067 -3.888 1.00 1.00 C ATOM 499 C LEU A 460 44.022 -9.048 -5.052 1.00 1.00 C ATOM 500 O LEU A 460 44.717 -10.063 -5.069 1.00 1.00 O ATOM 501 CB LEU A 460 42.931 -8.381 -2.913 1.00 1.00 C ATOM 502 CG LEU A 460 43.281 -7.943 -1.480 1.00 1.00 C ATOM 503 CD1 LEU A 460 43.279 -6.419 -1.360 1.00 1.00 C ATOM 504 CD2 LEU A 460 42.245 -8.531 -0.516 1.00 1.00 C ATOM 0 H LEU A 460 43.201 -6.162 -4.043 1.00 1.00 H new ATOM 0 HA LEU A 460 45.027 -8.177 -3.363 1.00 1.00 H new ATOM 0 HB2 LEU A 460 42.024 -7.873 -3.240 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.721 -9.450 -2.928 1.00 1.00 H new ATOM 0 HG LEU A 460 44.279 -8.305 -1.233 1.00 1.00 H new ATOM 0 HD11 LEU A 460 43.529 -6.134 -0.338 1.00 1.00 H new ATOM 0 HD12 LEU A 460 44.016 -5.999 -2.044 1.00 1.00 H new ATOM 0 HD13 LEU A 460 42.290 -6.036 -1.612 1.00 1.00 H new ATOM 0 HD21 LEU A 460 42.483 -8.227 0.503 1.00 1.00 H new ATOM 0 HD22 LEU A 460 41.253 -8.166 -0.781 1.00 1.00 H new ATOM 0 HD23 LEU A 460 42.261 -9.619 -0.584 1.00 1.00 H new ATOM 516 N ARG A 461 43.172 -8.729 -6.023 1.00 1.00 N ATOM 517 CA ARG A 461 43.007 -9.585 -7.193 1.00 1.00 C ATOM 518 C ARG A 461 44.359 -9.736 -7.890 1.00 1.00 C ATOM 519 O ARG A 461 44.768 -10.842 -8.239 1.00 1.00 O ATOM 520 CB ARG A 461 41.983 -8.944 -8.151 1.00 1.00 C ATOM 521 CG ARG A 461 41.202 -10.008 -8.948 1.00 1.00 C ATOM 522 CD ARG A 461 42.095 -10.652 -10.012 1.00 1.00 C ATOM 523 NE ARG A 461 41.329 -11.620 -10.793 1.00 1.00 N ATOM 524 CZ ARG A 461 41.337 -12.920 -10.502 1.00 1.00 C ATOM 525 NH1 ARG A 461 42.005 -13.364 -9.470 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.663 -13.754 -11.246 1.00 1.00 N ATOM 0 H ARG A 461 42.591 -7.891 -6.024 1.00 1.00 H new ATOM 0 HA ARG A 461 42.644 -10.568 -6.893 1.00 1.00 H new ATOM 0 HB2 ARG A 461 41.285 -8.332 -7.580 1.00 1.00 H new ATOM 0 HB3 ARG A 461 42.499 -8.278 -8.842 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.826 -10.774 -8.270 1.00 1.00 H new ATOM 0 HG3 ARG A 461 40.335 -9.549 -9.423 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.502 -9.884 -10.669 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.942 -11.146 -9.536 1.00 1.00 H new ATOM 0 HE ARG A 461 40.773 -11.292 -11.583 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.525 -12.714 -8.881 1.00 1.00 H new ATOM 0 HH12 ARG A 461 42.006 -14.361 -9.254 1.00 1.00 H new ATOM 0 HH21 ARG A 461 40.133 -13.410 -12.047 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.666 -14.750 -11.027 1.00 1.00 H new ATOM 540 N PHE A 462 45.074 -8.626 -8.051 1.00 1.00 N ATOM 541 CA PHE A 462 46.395 -8.639 -8.669 1.00 1.00 C ATOM 542 C PHE A 462 47.329 -9.526 -7.858 1.00 1.00 C ATOM 543 O PHE A 462 48.056 -10.359 -8.399 1.00 1.00 O ATOM 544 CB PHE A 462 46.958 -7.216 -8.731 1.00 1.00 C ATOM 545 CG PHE A 462 48.320 -7.237 -9.384 1.00 1.00 C ATOM 546 CD1 PHE A 462 48.433 -7.451 -10.762 1.00 1.00 C ATOM 547 CD2 PHE A 462 49.471 -7.038 -8.610 1.00 1.00 C ATOM 548 CE1 PHE A 462 49.694 -7.466 -11.368 1.00 1.00 C ATOM 549 CE2 PHE A 462 50.733 -7.053 -9.215 1.00 1.00 C ATOM 550 CZ PHE A 462 50.844 -7.266 -10.595 1.00 1.00 C ATOM 0 H PHE A 462 44.758 -7.701 -7.760 1.00 1.00 H new ATOM 0 HA PHE A 462 46.312 -9.032 -9.682 1.00 1.00 H new ATOM 0 HB2 PHE A 462 46.283 -6.572 -9.295 1.00 1.00 H new ATOM 0 HB3 PHE A 462 47.032 -6.799 -7.726 1.00 1.00 H new ATOM 0 HD1 PHE A 462 47.546 -7.605 -11.359 1.00 1.00 H new ATOM 0 HD2 PHE A 462 49.384 -6.873 -7.546 1.00 1.00 H new ATOM 0 HE1 PHE A 462 49.780 -7.632 -12.432 1.00 1.00 H new ATOM 0 HE2 PHE A 462 51.620 -6.901 -8.618 1.00 1.00 H new ATOM 0 HZ PHE A 462 51.817 -7.276 -11.063 1.00 1.00 H new ATOM 560 N CYS A 463 47.260 -9.357 -6.543 1.00 1.00 N ATOM 561 CA CYS A 463 48.052 -10.157 -5.620 1.00 1.00 C ATOM 562 C CYS A 463 47.520 -11.582 -5.626 1.00 1.00 C ATOM 563 O CYS A 463 48.217 -12.521 -5.240 1.00 1.00 O ATOM 564 CB CYS A 463 47.965 -9.576 -4.207 1.00 1.00 C ATOM 565 SG CYS A 463 48.601 -7.882 -4.213 1.00 1.00 S ATOM 0 H CYS A 463 46.659 -8.668 -6.091 1.00 1.00 H new ATOM 0 HA CYS A 463 49.096 -10.149 -5.933 1.00 1.00 H new ATOM 0 HB2 CYS A 463 46.932 -9.587 -3.861 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.540 -10.190 -3.514 1.00 1.00 H new ATOM 0 HG CYS A 463 47.712 -7.087 -4.730 1.00 1.00 H new ATOM 571 N GLY A 464 46.284 -11.740 -6.088 1.00 1.00 N ATOM 572 CA GLY A 464 45.684 -13.064 -6.159 1.00 1.00 C ATOM 573 C GLY A 464 46.541 -13.943 -7.059 1.00 1.00 C ATOM 574 O GLY A 464 46.703 -15.138 -6.810 1.00 1.00 O ATOM 0 H GLY A 464 45.687 -10.980 -6.414 1.00 1.00 H new ATOM 0 HA2 GLY A 464 45.613 -13.500 -5.163 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.669 -12.998 -6.551 1.00 1.00 H new ATOM 578 N ILE A 465 47.120 -13.326 -8.086 1.00 1.00 N ATOM 579 CA ILE A 465 48.004 -14.034 -9.007 1.00 1.00 C ATOM 580 C ILE A 465 49.244 -14.507 -8.256 1.00 1.00 C ATOM 581 O ILE A 465 49.715 -15.629 -8.443 1.00 1.00 O ATOM 582 CB ILE A 465 48.421 -13.111 -10.157 1.00 1.00 C ATOM 583 CG1 ILE A 465 47.203 -12.776 -11.038 1.00 1.00 C ATOM 584 CG2 ILE A 465 49.515 -13.779 -10.995 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.588 -14.044 -11.654 1.00 1.00 C ATOM 0 H ILE A 465 46.993 -12.337 -8.301 1.00 1.00 H new ATOM 0 HA ILE A 465 47.474 -14.893 -9.419 1.00 1.00 H new ATOM 0 HB ILE A 465 48.815 -12.184 -9.741 1.00 1.00 H new ATOM 0 HG12 ILE A 465 46.452 -12.259 -10.441 1.00 1.00 H new ATOM 0 HG13 ILE A 465 47.504 -12.093 -11.833 1.00 1.00 H new ATOM 0 HG21 ILE A 465 49.805 -13.116 -11.810 1.00 1.00 H new ATOM 0 HG22 ILE A 465 50.382 -13.982 -10.366 1.00 1.00 H new ATOM 0 HG23 ILE A 465 49.138 -14.715 -11.406 1.00 1.00 H new ATOM 0 HD11 ILE A 465 45.731 -13.771 -12.269 1.00 1.00 H new ATOM 0 HD12 ILE A 465 47.333 -14.547 -12.271 1.00 1.00 H new ATOM 0 HD13 ILE A 465 46.264 -14.715 -10.858 1.00 1.00 H new ATOM 597 N TYR A 466 49.773 -13.622 -7.415 1.00 1.00 N ATOM 598 CA TYR A 466 50.971 -13.933 -6.642 1.00 1.00 C ATOM 599 C TYR A 466 50.670 -14.983 -5.580 1.00 1.00 C ATOM 600 O TYR A 466 51.579 -15.628 -5.057 1.00 1.00 O ATOM 601 CB TYR A 466 51.508 -12.664 -5.978 1.00 1.00 C ATOM 602 CG TYR A 466 52.192 -11.809 -7.017 1.00 1.00 C ATOM 603 CD1 TYR A 466 51.435 -10.975 -7.848 1.00 1.00 C ATOM 604 CD2 TYR A 466 53.585 -11.850 -7.148 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.072 -10.182 -8.811 1.00 1.00 C ATOM 606 CE2 TYR A 466 54.222 -11.057 -8.111 1.00 1.00 C ATOM 607 CZ TYR A 466 53.464 -10.224 -8.943 1.00 1.00 C ATOM 608 OH TYR A 466 54.092 -9.443 -9.891 1.00 1.00 O ATOM 0 H TYR A 466 49.393 -12.689 -7.252 1.00 1.00 H new ATOM 0 HA TYR A 466 51.724 -14.332 -7.321 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.692 -12.110 -5.514 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.209 -12.923 -5.185 1.00 1.00 H new ATOM 0 HD1 TYR A 466 50.360 -10.943 -7.747 1.00 1.00 H new ATOM 0 HD2 TYR A 466 54.169 -12.493 -6.506 1.00 1.00 H new ATOM 0 HE1 TYR A 466 51.488 -9.538 -9.452 1.00 1.00 H new ATOM 0 HE2 TYR A 466 55.297 -11.088 -8.212 1.00 1.00 H new ATOM 0 HH TYR A 466 55.060 -9.592 -9.848 1.00 1.00 H new ATOM 618 N GLY A 467 49.393 -15.140 -5.249 1.00 1.00 N ATOM 619 CA GLY A 467 48.992 -16.102 -4.229 1.00 1.00 C ATOM 620 C GLY A 467 48.998 -15.447 -2.852 1.00 1.00 C ATOM 621 O GLY A 467 48.885 -16.124 -1.834 1.00 1.00 O ATOM 0 H GLY A 467 48.623 -14.618 -5.668 1.00 1.00 H new ATOM 0 HA2 GLY A 467 47.996 -16.485 -4.452 1.00 1.00 H new ATOM 0 HA3 GLY A 467 49.671 -16.955 -4.237 1.00 1.00 H new ATOM 625 N TYR A 468 49.133 -14.123 -2.840 1.00 1.00 N ATOM 626 CA TYR A 468 49.158 -13.363 -1.591 1.00 1.00 C ATOM 627 C TYR A 468 50.053 -14.039 -0.553 1.00 1.00 C ATOM 628 O TYR A 468 51.227 -13.695 -0.425 1.00 1.00 O ATOM 629 CB TYR A 468 47.737 -13.222 -1.039 1.00 1.00 C ATOM 630 CG TYR A 468 47.764 -12.385 0.217 1.00 1.00 C ATOM 631 CD1 TYR A 468 47.902 -10.996 0.130 1.00 1.00 C ATOM 632 CD2 TYR A 468 47.647 -12.999 1.470 1.00 1.00 C ATOM 633 CE1 TYR A 468 47.925 -10.219 1.295 1.00 1.00 C ATOM 634 CE2 TYR A 468 47.669 -12.224 2.635 1.00 1.00 C ATOM 635 CZ TYR A 468 47.808 -10.834 2.547 1.00 1.00 C ATOM 636 OH TYR A 468 47.832 -10.069 3.697 1.00 1.00 O ATOM 0 H TYR A 468 49.227 -13.553 -3.681 1.00 1.00 H new ATOM 0 HA TYR A 468 49.567 -12.375 -1.802 1.00 1.00 H new ATOM 0 HB2 TYR A 468 47.091 -12.758 -1.784 1.00 1.00 H new ATOM 0 HB3 TYR A 468 47.320 -14.206 -0.824 1.00 1.00 H new ATOM 0 HD1 TYR A 468 47.991 -10.522 -0.836 1.00 1.00 H new ATOM 0 HD2 TYR A 468 47.540 -14.072 1.537 1.00 1.00 H new ATOM 0 HE1 TYR A 468 48.033 -9.147 1.227 1.00 1.00 H new ATOM 0 HE2 TYR A 468 47.579 -12.698 3.601 1.00 1.00 H new ATOM 0 HH TYR A 468 47.738 -10.652 4.479 1.00 1.00 H new ATOM 646 N ARG A 469 49.494 -14.999 0.183 1.00 1.00 N ATOM 647 CA ARG A 469 50.258 -15.712 1.204 1.00 1.00 C ATOM 648 C ARG A 469 50.201 -17.215 0.956 1.00 1.00 C ATOM 649 O ARG A 469 49.126 -17.778 0.750 1.00 1.00 O ATOM 650 CB ARG A 469 49.693 -15.398 2.593 1.00 1.00 C ATOM 651 CG ARG A 469 50.553 -16.068 3.671 1.00 1.00 C ATOM 652 CD ARG A 469 49.975 -15.755 5.052 1.00 1.00 C ATOM 653 NE ARG A 469 50.862 -16.257 6.097 1.00 1.00 N ATOM 654 CZ ARG A 469 50.765 -17.506 6.544 1.00 1.00 C ATOM 655 NH1 ARG A 469 49.871 -18.313 6.040 1.00 1.00 N ATOM 656 NH2 ARG A 469 51.567 -17.924 7.484 1.00 1.00 N ATOM 0 H ARG A 469 48.523 -15.299 0.092 1.00 1.00 H new ATOM 0 HA ARG A 469 51.296 -15.385 1.154 1.00 1.00 H new ATOM 0 HB2 ARG A 469 49.672 -14.320 2.751 1.00 1.00 H new ATOM 0 HB3 ARG A 469 48.664 -15.751 2.665 1.00 1.00 H new ATOM 0 HG2 ARG A 469 50.580 -17.146 3.512 1.00 1.00 H new ATOM 0 HG3 ARG A 469 51.581 -15.711 3.606 1.00 1.00 H new ATOM 0 HD2 ARG A 469 49.843 -14.679 5.163 1.00 1.00 H new ATOM 0 HD3 ARG A 469 48.989 -16.209 5.153 1.00 1.00 H new ATOM 0 HE ARG A 469 51.570 -15.638 6.492 1.00 1.00 H new ATOM 0 HH11 ARG A 469 49.246 -17.986 5.303 1.00 1.00 H new ATOM 0 HH12 ARG A 469 49.797 -19.271 6.383 1.00 1.00 H new ATOM 0 HH21 ARG A 469 52.267 -17.293 7.875 1.00 1.00 H new ATOM 0 HH22 ARG A 469 51.494 -18.881 7.828 1.00 1.00 H new ATOM 670 N LEU A 470 51.366 -17.856 0.980 1.00 1.00 N ATOM 671 CA LEU A 470 51.446 -19.297 0.760 1.00 1.00 C ATOM 672 C LEU A 470 51.853 -20.008 2.046 1.00 1.00 C ATOM 673 O LEU A 470 52.820 -19.619 2.701 1.00 1.00 O ATOM 674 CB LEU A 470 52.468 -19.603 -0.339 1.00 1.00 C ATOM 675 CG LEU A 470 52.064 -18.897 -1.638 1.00 1.00 C ATOM 676 CD1 LEU A 470 53.121 -19.157 -2.713 1.00 1.00 C ATOM 677 CD2 LEU A 470 50.711 -19.429 -2.121 1.00 1.00 C ATOM 0 H LEU A 470 52.264 -17.403 1.149 1.00 1.00 H new ATOM 0 HA LEU A 470 50.464 -19.655 0.451 1.00 1.00 H new ATOM 0 HB2 LEU A 470 53.459 -19.272 -0.028 1.00 1.00 H new ATOM 0 HB3 LEU A 470 52.528 -20.679 -0.503 1.00 1.00 H new ATOM 0 HG LEU A 470 51.986 -17.826 -1.451 1.00 1.00 H new ATOM 0 HD11 LEU A 470 52.832 -18.654 -3.636 1.00 1.00 H new ATOM 0 HD12 LEU A 470 54.084 -18.773 -2.377 1.00 1.00 H new ATOM 0 HD13 LEU A 470 53.201 -20.229 -2.893 1.00 1.00 H new ATOM 0 HD21 LEU A 470 50.430 -18.923 -3.045 1.00 1.00 H new ATOM 0 HD22 LEU A 470 50.785 -20.501 -2.303 1.00 1.00 H new ATOM 0 HD23 LEU A 470 49.954 -19.242 -1.360 1.00 1.00 H new ATOM 689 N ARG A 471 51.109 -21.051 2.403 1.00 1.00 N ATOM 690 CA ARG A 471 51.404 -21.807 3.616 1.00 1.00 C ATOM 691 C ARG A 471 52.761 -22.492 3.502 1.00 1.00 C ATOM 692 O ARG A 471 53.524 -22.542 4.466 1.00 1.00 O ATOM 693 CB ARG A 471 50.319 -22.860 3.852 1.00 1.00 C ATOM 694 CG ARG A 471 49.017 -22.170 4.259 1.00 1.00 C ATOM 695 CD ARG A 471 47.906 -23.213 4.391 1.00 1.00 C ATOM 696 NE ARG A 471 48.216 -24.141 5.472 1.00 1.00 N ATOM 697 CZ ARG A 471 47.446 -25.198 5.713 1.00 1.00 C ATOM 698 NH1 ARG A 471 46.398 -25.426 4.969 1.00 1.00 N ATOM 699 NH2 ARG A 471 47.739 -26.010 6.692 1.00 1.00 N ATOM 0 H ARG A 471 50.305 -21.390 1.875 1.00 1.00 H new ATOM 0 HA ARG A 471 51.427 -21.114 4.457 1.00 1.00 H new ATOM 0 HB2 ARG A 471 50.164 -23.447 2.947 1.00 1.00 H new ATOM 0 HB3 ARG A 471 50.634 -23.554 4.631 1.00 1.00 H new ATOM 0 HG2 ARG A 471 49.152 -21.645 5.205 1.00 1.00 H new ATOM 0 HG3 ARG A 471 48.742 -21.422 3.515 1.00 1.00 H new ATOM 0 HD2 ARG A 471 46.954 -22.719 4.587 1.00 1.00 H new ATOM 0 HD3 ARG A 471 47.795 -23.758 3.454 1.00 1.00 H new ATOM 0 HE ARG A 471 49.038 -23.977 6.053 1.00 1.00 H new ATOM 0 HH11 ARG A 471 46.169 -24.793 4.202 1.00 1.00 H new ATOM 0 HH12 ARG A 471 45.808 -26.237 5.154 1.00 1.00 H new ATOM 0 HH21 ARG A 471 48.559 -25.834 7.273 1.00 1.00 H new ATOM 0 HH22 ARG A 471 47.148 -26.821 6.876 1.00 1.00 H new ATOM 713 N ARG A 472 53.056 -23.018 2.318 1.00 1.00 N ATOM 714 CA ARG A 472 54.325 -23.698 2.087 1.00 1.00 C ATOM 715 C ARG A 472 55.280 -22.797 1.310 1.00 1.00 C ATOM 716 O ARG A 472 54.882 -22.134 0.352 1.00 1.00 O ATOM 717 CB ARG A 472 54.089 -24.992 1.305 1.00 1.00 C ATOM 718 CG ARG A 472 53.333 -25.990 2.184 1.00 1.00 C ATOM 719 CD ARG A 472 53.056 -27.265 1.385 1.00 1.00 C ATOM 720 NE ARG A 472 52.339 -28.231 2.209 1.00 1.00 N ATOM 721 CZ ARG A 472 51.898 -29.377 1.700 1.00 1.00 C ATOM 722 NH1 ARG A 472 52.107 -29.655 0.441 1.00 1.00 N ATOM 723 NH2 ARG A 472 51.257 -30.224 2.457 1.00 1.00 N ATOM 0 H ARG A 472 52.437 -22.987 1.508 1.00 1.00 H new ATOM 0 HA ARG A 472 54.772 -23.935 3.053 1.00 1.00 H new ATOM 0 HB2 ARG A 472 53.518 -24.783 0.400 1.00 1.00 H new ATOM 0 HB3 ARG A 472 55.042 -25.418 0.990 1.00 1.00 H new ATOM 0 HG2 ARG A 472 53.919 -26.225 3.073 1.00 1.00 H new ATOM 0 HG3 ARG A 472 52.396 -25.552 2.527 1.00 1.00 H new ATOM 0 HD2 ARG A 472 52.469 -27.026 0.498 1.00 1.00 H new ATOM 0 HD3 ARG A 472 53.995 -27.697 1.039 1.00 1.00 H new ATOM 0 HE ARG A 472 52.173 -28.024 3.194 1.00 1.00 H new ATOM 0 HH11 ARG A 472 52.608 -28.993 -0.151 1.00 1.00 H new ATOM 0 HH12 ARG A 472 51.769 -30.534 0.050 1.00 1.00 H new ATOM 0 HH21 ARG A 472 51.094 -30.007 3.440 1.00 1.00 H new ATOM 0 HH22 ARG A 472 50.919 -31.103 2.066 1.00 1.00 H new ATOM 737 N LYS A 473 56.540 -22.778 1.729 1.00 1.00 N ATOM 738 CA LYS A 473 57.543 -21.954 1.064 1.00 1.00 C ATOM 739 C LYS A 473 57.906 -22.544 -0.294 1.00 1.00 C ATOM 740 O LYS A 473 58.470 -23.626 -0.315 1.00 1.00 O ATOM 741 CB LYS A 473 58.798 -21.856 1.933 1.00 1.00 C ATOM 742 CG LYS A 473 58.482 -21.060 3.201 1.00 1.00 C ATOM 743 CD LYS A 473 59.734 -20.974 4.074 1.00 1.00 C ATOM 744 CE LYS A 473 59.420 -20.172 5.339 1.00 1.00 C ATOM 745 NZ LYS A 473 60.638 -20.099 6.196 1.00 1.00 N ATOM 746 OXT LYS A 473 57.617 -21.906 -1.292 1.00 1.00 O ATOM 0 H LYS A 473 56.890 -23.319 2.520 1.00 1.00 H new ATOM 0 HA LYS A 473 57.127 -20.958 0.914 1.00 1.00 H new ATOM 0 HB2 LYS A 473 59.150 -22.854 2.196 1.00 1.00 H new ATOM 0 HB3 LYS A 473 59.601 -21.371 1.377 1.00 1.00 H new ATOM 0 HG2 LYS A 473 58.139 -20.059 2.939 1.00 1.00 H new ATOM 0 HG3 LYS A 473 57.673 -21.540 3.752 1.00 1.00 H new ATOM 0 HD2 LYS A 473 60.074 -21.975 4.340 1.00 1.00 H new ATOM 0 HD3 LYS A 473 60.544 -20.499 3.521 1.00 1.00 H new ATOM 0 HE2 LYS A 473 59.089 -19.168 5.073 1.00 1.00 H new ATOM 0 HE3 LYS A 473 58.604 -20.642 5.888 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 60.425 -19.554 7.056 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 60.935 -21.060 6.460 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 61.404 -19.632 5.671 1.00 1.00 H new TER 760 LYS A 473