USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 108:sc= 0.118 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 -158:sc= -0.0837 (180deg=-0.622) USER MOD Single : A 453 THR OG1 : rot 87:sc= 1.3 USER MOD Single : A 463 CYS SG : rot 85:sc= 0.339 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+ -131:sc= -0.868 (180deg=-2.61!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 19.382 20.170 3.372 1.00 1.00 N ATOM 2 CA GLY A 430 18.989 20.797 4.666 1.00 1.00 C ATOM 3 C GLY A 430 17.645 21.497 4.505 1.00 1.00 C ATOM 4 O GLY A 430 17.180 21.722 3.388 1.00 1.00 O ATOM 0 HA2 GLY A 430 18.924 20.038 5.445 1.00 1.00 H new ATOM 0 HA3 GLY A 430 19.748 21.513 4.981 1.00 1.00 H new ATOM 10 N LYS A 431 17.025 21.839 5.631 1.00 1.00 N ATOM 11 CA LYS A 431 15.731 22.511 5.604 1.00 1.00 C ATOM 12 C LYS A 431 15.845 23.874 4.926 1.00 1.00 C ATOM 13 O LYS A 431 14.987 24.254 4.128 1.00 1.00 O ATOM 14 CB LYS A 431 15.210 22.693 7.033 1.00 1.00 C ATOM 15 CG LYS A 431 13.801 23.288 6.994 1.00 1.00 C ATOM 16 CD LYS A 431 13.260 23.412 8.420 1.00 1.00 C ATOM 17 CE LYS A 431 11.844 23.991 8.382 1.00 1.00 C ATOM 18 NZ LYS A 431 11.312 24.095 9.770 1.00 1.00 N ATOM 0 H LYS A 431 17.394 21.664 6.565 1.00 1.00 H new ATOM 0 HA LYS A 431 15.035 21.894 5.036 1.00 1.00 H new ATOM 0 HB2 LYS A 431 15.196 21.734 7.551 1.00 1.00 H new ATOM 0 HB3 LYS A 431 15.877 23.348 7.593 1.00 1.00 H new ATOM 0 HG2 LYS A 431 13.821 24.267 6.515 1.00 1.00 H new ATOM 0 HG3 LYS A 431 13.144 22.655 6.398 1.00 1.00 H new ATOM 0 HD2 LYS A 431 13.252 22.435 8.903 1.00 1.00 H new ATOM 0 HD3 LYS A 431 13.911 24.055 9.012 1.00 1.00 H new ATOM 0 HE2 LYS A 431 11.854 24.974 7.910 1.00 1.00 H new ATOM 0 HE3 LYS A 431 11.196 23.355 7.779 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 10.350 24.488 9.744 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 11.288 23.150 10.204 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 11.926 24.719 10.331 1.00 1.00 H new ATOM 32 N ARG A 432 16.909 24.605 5.246 1.00 1.00 N ATOM 33 CA ARG A 432 17.114 25.928 4.665 1.00 1.00 C ATOM 34 C ARG A 432 17.309 25.829 3.153 1.00 1.00 C ATOM 35 O ARG A 432 16.785 26.650 2.399 1.00 1.00 O ATOM 36 CB ARG A 432 18.343 26.586 5.297 1.00 1.00 C ATOM 37 CG ARG A 432 18.027 26.964 6.746 1.00 1.00 C ATOM 38 CD ARG A 432 19.267 27.582 7.396 1.00 1.00 C ATOM 39 NE ARG A 432 20.308 26.574 7.557 1.00 1.00 N ATOM 40 CZ ARG A 432 21.491 26.883 8.079 1.00 1.00 C ATOM 41 NH1 ARG A 432 21.738 28.109 8.455 1.00 1.00 N ATOM 42 NH2 ARG A 432 22.404 25.962 8.216 1.00 1.00 N ATOM 0 H ARG A 432 17.636 24.308 5.897 1.00 1.00 H new ATOM 0 HA ARG A 432 16.230 26.534 4.865 1.00 1.00 H new ATOM 0 HB2 ARG A 432 19.192 25.903 5.264 1.00 1.00 H new ATOM 0 HB3 ARG A 432 18.626 27.474 4.731 1.00 1.00 H new ATOM 0 HG2 ARG A 432 17.198 27.671 6.776 1.00 1.00 H new ATOM 0 HG3 ARG A 432 17.714 26.081 7.303 1.00 1.00 H new ATOM 0 HD2 ARG A 432 19.637 28.403 6.782 1.00 1.00 H new ATOM 0 HD3 ARG A 432 19.006 28.003 8.367 1.00 1.00 H new ATOM 0 HE ARG A 432 20.125 25.614 7.264 1.00 1.00 H new ATOM 0 HH11 ARG A 432 21.023 28.829 8.348 1.00 1.00 H new ATOM 0 HH12 ARG A 432 22.645 28.347 8.856 1.00 1.00 H new ATOM 0 HH21 ARG A 432 22.211 25.004 7.923 1.00 1.00 H new ATOM 0 HH22 ARG A 432 23.312 26.199 8.616 1.00 1.00 H new ATOM 56 N SER A 433 18.055 24.821 2.714 1.00 1.00 N ATOM 57 CA SER A 433 18.298 24.633 1.288 1.00 1.00 C ATOM 58 C SER A 433 18.635 23.176 0.987 1.00 1.00 C ATOM 59 O SER A 433 19.020 22.420 1.879 1.00 1.00 O ATOM 60 CB SER A 433 19.450 25.529 0.832 1.00 1.00 C ATOM 61 OG SER A 433 20.575 25.310 1.672 1.00 1.00 O ATOM 0 H SER A 433 18.498 24.128 3.318 1.00 1.00 H new ATOM 0 HA SER A 433 17.391 24.903 0.747 1.00 1.00 H new ATOM 0 HB2 SER A 433 19.707 25.311 -0.204 1.00 1.00 H new ATOM 0 HB3 SER A 433 19.150 26.576 0.872 1.00 1.00 H new ATOM 0 HG SER A 433 21.263 24.819 1.176 1.00 1.00 H new ATOM 67 N TRP A 434 18.491 22.789 -0.276 1.00 1.00 N ATOM 68 CA TRP A 434 18.786 21.419 -0.683 1.00 1.00 C ATOM 69 C TRP A 434 20.256 21.092 -0.443 1.00 1.00 C ATOM 70 O TRP A 434 20.587 20.040 0.104 1.00 1.00 O ATOM 71 CB TRP A 434 18.454 21.233 -2.164 1.00 1.00 C ATOM 72 CG TRP A 434 18.951 19.900 -2.622 1.00 1.00 C ATOM 73 CD1 TRP A 434 20.024 19.704 -3.423 1.00 1.00 C ATOM 74 CD2 TRP A 434 18.414 18.578 -2.325 1.00 1.00 C ATOM 75 NE1 TRP A 434 20.180 18.346 -3.635 1.00 1.00 N ATOM 76 CE2 TRP A 434 19.213 17.611 -2.980 1.00 1.00 C ATOM 77 CE3 TRP A 434 17.323 18.129 -1.559 1.00 1.00 C ATOM 78 CZ2 TRP A 434 18.939 16.246 -2.877 1.00 1.00 C ATOM 79 CZ3 TRP A 434 17.045 16.757 -1.454 1.00 1.00 C ATOM 80 CH2 TRP A 434 17.851 15.817 -2.111 1.00 1.00 C ATOM 0 H TRP A 434 18.175 23.398 -1.030 1.00 1.00 H new ATOM 0 HA TRP A 434 18.175 20.743 -0.086 1.00 1.00 H new ATOM 0 HB2 TRP A 434 17.377 21.304 -2.318 1.00 1.00 H new ATOM 0 HB3 TRP A 434 18.914 22.027 -2.753 1.00 1.00 H new ATOM 0 HD1 TRP A 434 20.655 20.480 -3.830 1.00 1.00 H new ATOM 0 HE1 TRP A 434 20.920 17.938 -4.206 1.00 1.00 H new ATOM 0 HE3 TRP A 434 16.695 18.844 -1.048 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 19.563 15.526 -3.386 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 16.205 16.424 -0.863 1.00 1.00 H new ATOM 0 HH2 TRP A 434 17.632 14.763 -2.026 1.00 1.00 H new ATOM 91 N ASP A 435 21.133 21.999 -0.859 1.00 1.00 N ATOM 92 CA ASP A 435 22.569 21.800 -0.689 1.00 1.00 C ATOM 93 C ASP A 435 23.075 22.534 0.549 1.00 1.00 C ATOM 94 O ASP A 435 23.117 23.764 0.577 1.00 1.00 O ATOM 95 CB ASP A 435 23.316 22.305 -1.925 1.00 1.00 C ATOM 96 CG ASP A 435 24.769 21.845 -1.879 1.00 1.00 C ATOM 97 OD1 ASP A 435 25.165 21.298 -0.864 1.00 1.00 O ATOM 98 OD2 ASP A 435 25.464 22.046 -2.862 1.00 1.00 O ATOM 0 H ASP A 435 20.877 22.875 -1.314 1.00 1.00 H new ATOM 0 HA ASP A 435 22.753 20.733 -0.562 1.00 1.00 H new ATOM 0 HB2 ASP A 435 22.836 21.930 -2.829 1.00 1.00 H new ATOM 0 HB3 ASP A 435 23.271 23.393 -1.968 1.00 1.00 H new ATOM 103 N THR A 436 23.464 21.775 1.568 1.00 1.00 N ATOM 104 CA THR A 436 23.972 22.374 2.797 1.00 1.00 C ATOM 105 C THR A 436 25.454 22.704 2.655 1.00 1.00 C ATOM 106 O THR A 436 26.118 22.222 1.736 1.00 1.00 O ATOM 107 CB THR A 436 23.770 21.411 3.970 1.00 1.00 C ATOM 108 OG1 THR A 436 24.543 20.239 3.755 1.00 1.00 O ATOM 109 CG2 THR A 436 22.292 21.037 4.078 1.00 1.00 C ATOM 0 H THR A 436 23.438 20.755 1.569 1.00 1.00 H new ATOM 0 HA THR A 436 23.422 23.296 2.987 1.00 1.00 H new ATOM 0 HB THR A 436 24.088 21.892 4.895 1.00 1.00 H new ATOM 0 HG1 THR A 436 24.417 19.622 4.506 1.00 1.00 H new ATOM 0 HG21 THR A 436 22.150 20.351 4.913 1.00 1.00 H new ATOM 0 HG22 THR A 436 21.700 21.937 4.243 1.00 1.00 H new ATOM 0 HG23 THR A 436 21.970 20.555 3.155 1.00 1.00 H new ATOM 117 N GLU A 437 25.965 23.526 3.569 1.00 1.00 N ATOM 118 CA GLU A 437 27.373 23.916 3.539 1.00 1.00 C ATOM 119 C GLU A 437 28.061 23.548 4.850 1.00 1.00 C ATOM 120 O GLU A 437 27.581 23.889 5.930 1.00 1.00 O ATOM 121 CB GLU A 437 27.489 25.424 3.307 1.00 1.00 C ATOM 122 CG GLU A 437 27.013 25.762 1.892 1.00 1.00 C ATOM 123 CD GLU A 437 27.043 27.271 1.680 1.00 1.00 C ATOM 124 OE1 GLU A 437 27.438 27.972 2.598 1.00 1.00 O ATOM 125 OE2 GLU A 437 26.671 27.705 0.602 1.00 1.00 O ATOM 0 H GLU A 437 25.429 23.933 4.335 1.00 1.00 H new ATOM 0 HA GLU A 437 27.862 23.382 2.724 1.00 1.00 H new ATOM 0 HB2 GLU A 437 26.890 25.963 4.042 1.00 1.00 H new ATOM 0 HB3 GLU A 437 28.522 25.745 3.441 1.00 1.00 H new ATOM 0 HG2 GLU A 437 27.651 25.270 1.157 1.00 1.00 H new ATOM 0 HG3 GLU A 437 26.002 25.385 1.740 1.00 1.00 H new ATOM 132 N SER A 438 29.191 22.855 4.746 1.00 1.00 N ATOM 133 CA SER A 438 29.939 22.455 5.932 1.00 1.00 C ATOM 134 C SER A 438 31.408 22.224 5.588 1.00 1.00 C ATOM 135 O SER A 438 31.761 22.036 4.425 1.00 1.00 O ATOM 136 CB SER A 438 29.343 21.174 6.517 1.00 1.00 C ATOM 137 OG SER A 438 29.866 20.052 5.819 1.00 1.00 O ATOM 0 H SER A 438 29.605 22.561 3.861 1.00 1.00 H new ATOM 0 HA SER A 438 29.872 23.256 6.668 1.00 1.00 H new ATOM 0 HB2 SER A 438 29.581 21.100 7.578 1.00 1.00 H new ATOM 0 HB3 SER A 438 28.256 21.194 6.435 1.00 1.00 H new ATOM 0 HG SER A 438 29.487 19.229 6.192 1.00 1.00 H new ATOM 143 N VAL A 439 32.258 22.235 6.611 1.00 1.00 N ATOM 144 CA VAL A 439 33.686 22.021 6.407 1.00 1.00 C ATOM 145 C VAL A 439 33.947 20.617 5.870 1.00 1.00 C ATOM 146 O VAL A 439 34.731 20.433 4.939 1.00 1.00 O ATOM 147 CB VAL A 439 34.437 22.211 7.726 1.00 1.00 C ATOM 148 CG1 VAL A 439 35.896 21.789 7.549 1.00 1.00 C ATOM 149 CG2 VAL A 439 34.379 23.685 8.135 1.00 1.00 C ATOM 0 H VAL A 439 31.985 22.389 7.582 1.00 1.00 H new ATOM 0 HA VAL A 439 34.042 22.749 5.678 1.00 1.00 H new ATOM 0 HB VAL A 439 33.974 21.599 8.500 1.00 1.00 H new ATOM 0 HG11 VAL A 439 36.431 21.925 8.489 1.00 1.00 H new ATOM 0 HG12 VAL A 439 35.938 20.740 7.256 1.00 1.00 H new ATOM 0 HG13 VAL A 439 36.361 22.401 6.776 1.00 1.00 H new ATOM 0 HG21 VAL A 439 34.914 23.823 9.075 1.00 1.00 H new ATOM 0 HG22 VAL A 439 34.843 24.296 7.361 1.00 1.00 H new ATOM 0 HG23 VAL A 439 33.339 23.987 8.261 1.00 1.00 H new ATOM 159 N LEU A 440 33.281 19.633 6.468 1.00 1.00 N ATOM 160 CA LEU A 440 33.438 18.242 6.056 1.00 1.00 C ATOM 161 C LEU A 440 32.095 17.657 5.615 1.00 1.00 C ATOM 162 O LEU A 440 31.398 17.026 6.410 1.00 1.00 O ATOM 163 CB LEU A 440 33.988 17.418 7.223 1.00 1.00 C ATOM 164 CG LEU A 440 34.547 16.096 6.697 1.00 1.00 C ATOM 165 CD1 LEU A 440 36.032 16.261 6.377 1.00 1.00 C ATOM 166 CD2 LEU A 440 34.373 15.010 7.762 1.00 1.00 C ATOM 0 H LEU A 440 32.628 19.773 7.239 1.00 1.00 H new ATOM 0 HA LEU A 440 34.133 18.206 5.217 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.770 17.976 7.739 1.00 1.00 H new ATOM 0 HB3 LEU A 440 33.199 17.227 7.951 1.00 1.00 H new ATOM 0 HG LEU A 440 34.011 15.809 5.793 1.00 1.00 H new ATOM 0 HD11 LEU A 440 36.430 15.318 6.002 1.00 1.00 H new ATOM 0 HD12 LEU A 440 36.157 17.035 5.620 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.569 16.548 7.281 1.00 1.00 H new ATOM 0 HD21 LEU A 440 34.771 14.067 7.388 1.00 1.00 H new ATOM 0 HD22 LEU A 440 34.910 15.298 8.666 1.00 1.00 H new ATOM 0 HD23 LEU A 440 33.314 14.891 7.991 1.00 1.00 H new ATOM 178 N PRO A 441 31.716 17.855 4.375 1.00 1.00 N ATOM 179 CA PRO A 441 30.425 17.331 3.843 1.00 1.00 C ATOM 180 C PRO A 441 30.355 15.807 3.907 1.00 1.00 C ATOM 181 O PRO A 441 31.366 15.119 3.757 1.00 1.00 O ATOM 182 CB PRO A 441 30.385 17.817 2.389 1.00 1.00 C ATOM 183 CG PRO A 441 31.416 18.892 2.285 1.00 1.00 C ATOM 184 CD PRO A 441 32.465 18.596 3.354 1.00 1.00 C ATOM 0 HA PRO A 441 29.577 17.683 4.430 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.601 17.001 1.699 1.00 1.00 H new ATOM 0 HB3 PRO A 441 29.397 18.198 2.132 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.867 18.902 1.293 1.00 1.00 H new ATOM 0 HG3 PRO A 441 30.969 19.874 2.442 1.00 1.00 H new ATOM 0 HD2 PRO A 441 33.290 18.006 2.954 1.00 1.00 H new ATOM 0 HD3 PRO A 441 32.895 19.512 3.758 1.00 1.00 H new ATOM 192 N MET A 442 29.155 15.290 4.145 1.00 1.00 N ATOM 193 CA MET A 442 28.955 13.849 4.245 1.00 1.00 C ATOM 194 C MET A 442 29.253 13.150 2.921 1.00 1.00 C ATOM 195 O MET A 442 29.839 12.067 2.904 1.00 1.00 O ATOM 196 CB MET A 442 27.512 13.555 4.662 1.00 1.00 C ATOM 197 CG MET A 442 27.335 13.873 6.148 1.00 1.00 C ATOM 198 SD MET A 442 25.640 13.484 6.658 1.00 1.00 S ATOM 199 CE MET A 442 24.803 14.861 5.827 1.00 1.00 C ATOM 0 H MET A 442 28.309 15.845 4.272 1.00 1.00 H new ATOM 0 HA MET A 442 29.646 13.466 4.996 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.821 14.152 4.067 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.273 12.508 4.472 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.045 13.296 6.740 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.548 14.926 6.332 1.00 1.00 H new ATOM 0 HE1 MET A 442 23.842 15.046 6.307 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.421 15.756 5.895 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.642 14.610 4.779 1.00 1.00 H new ATOM 209 N TRP A 443 28.838 13.758 1.814 1.00 1.00 N ATOM 210 CA TRP A 443 29.066 13.155 0.506 1.00 1.00 C ATOM 211 C TRP A 443 30.561 13.052 0.198 1.00 1.00 C ATOM 212 O TRP A 443 31.001 12.084 -0.421 1.00 1.00 O ATOM 213 CB TRP A 443 28.333 13.939 -0.591 1.00 1.00 C ATOM 214 CG TRP A 443 28.717 15.384 -0.554 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.094 16.334 0.180 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.773 16.062 -1.292 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.713 17.550 -0.047 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.752 17.435 -0.948 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.743 15.623 -2.211 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.661 18.341 -1.499 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.659 16.531 -2.769 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.619 17.890 -2.413 1.00 1.00 C ATOM 0 H TRP A 443 28.350 14.653 1.795 1.00 1.00 H new ATOM 0 HA TRP A 443 28.661 12.143 0.529 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.573 13.519 -1.568 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.256 13.840 -0.458 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.252 16.170 0.836 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.435 18.425 0.397 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.784 14.580 -2.490 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.624 19.384 -1.221 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.398 16.183 -3.475 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.326 18.584 -2.844 1.00 1.00 H new ATOM 233 N VAL A 444 31.343 14.033 0.646 1.00 1.00 N ATOM 234 CA VAL A 444 32.788 13.997 0.411 1.00 1.00 C ATOM 235 C VAL A 444 33.405 12.792 1.113 1.00 1.00 C ATOM 236 O VAL A 444 34.228 12.075 0.542 1.00 1.00 O ATOM 237 CB VAL A 444 33.452 15.274 0.935 1.00 1.00 C ATOM 238 CG1 VAL A 444 34.972 15.093 0.931 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.090 16.446 0.025 1.00 1.00 C ATOM 0 H VAL A 444 31.011 14.847 1.163 1.00 1.00 H new ATOM 0 HA VAL A 444 32.954 13.921 -0.664 1.00 1.00 H new ATOM 0 HB VAL A 444 33.104 15.473 1.949 1.00 1.00 H new ATOM 0 HG11 VAL A 444 35.447 16.000 1.303 1.00 1.00 H new ATOM 0 HG12 VAL A 444 35.240 14.253 1.572 1.00 1.00 H new ATOM 0 HG13 VAL A 444 35.312 14.896 -0.086 1.00 1.00 H new ATOM 0 HG21 VAL A 444 33.562 17.355 0.397 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.441 16.243 -0.987 1.00 1.00 H new ATOM 0 HG23 VAL A 444 32.008 16.577 0.014 1.00 1.00 H new ATOM 249 N LEU A 445 33.002 12.581 2.361 1.00 1.00 N ATOM 250 CA LEU A 445 33.519 11.468 3.147 1.00 1.00 C ATOM 251 C LEU A 445 33.144 10.137 2.498 1.00 1.00 C ATOM 252 O LEU A 445 33.941 9.196 2.455 1.00 1.00 O ATOM 253 CB LEU A 445 32.959 11.534 4.575 1.00 1.00 C ATOM 254 CG LEU A 445 33.487 10.364 5.415 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.019 10.390 5.450 1.00 1.00 C ATOM 256 CD2 LEU A 445 32.948 10.489 6.838 1.00 1.00 C ATOM 0 H LEU A 445 32.321 13.164 2.848 1.00 1.00 H new ATOM 0 HA LEU A 445 34.606 11.541 3.185 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.241 12.479 5.039 1.00 1.00 H new ATOM 0 HB3 LEU A 445 31.870 11.506 4.546 1.00 1.00 H new ATOM 0 HG LEU A 445 33.157 9.425 4.971 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.383 9.555 6.049 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.408 10.305 4.435 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.357 11.328 5.891 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.319 9.661 7.442 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.281 11.432 7.272 1.00 1.00 H new ATOM 0 HD23 LEU A 445 31.858 10.464 6.818 1.00 1.00 H new ATOM 268 N ALA A 446 31.899 10.072 2.024 1.00 1.00 N ATOM 269 CA ALA A 446 31.374 8.858 1.406 1.00 1.00 C ATOM 270 C ALA A 446 32.154 8.465 0.155 1.00 1.00 C ATOM 271 O ALA A 446 32.421 7.287 -0.091 1.00 1.00 O ATOM 272 CB ALA A 446 29.896 9.060 1.042 1.00 1.00 C ATOM 0 H ALA A 446 31.237 10.847 2.057 1.00 1.00 H new ATOM 0 HA ALA A 446 31.479 8.051 2.131 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.507 8.152 0.581 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.326 9.281 1.944 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.804 9.890 0.342 1.00 1.00 H new ATOM 278 N LEU A 447 32.504 9.462 -0.646 1.00 1.00 N ATOM 279 CA LEU A 447 33.240 9.214 -1.888 1.00 1.00 C ATOM 280 C LEU A 447 34.625 8.614 -1.613 1.00 1.00 C ATOM 281 O LEU A 447 35.102 7.736 -2.347 1.00 1.00 O ATOM 282 CB LEU A 447 33.382 10.512 -2.676 1.00 1.00 C ATOM 283 CG LEU A 447 32.016 10.946 -3.236 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.121 12.368 -3.805 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.570 9.992 -4.349 1.00 1.00 C ATOM 0 H LEU A 447 32.295 10.444 -0.465 1.00 1.00 H new ATOM 0 HA LEU A 447 32.673 8.491 -2.474 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.785 11.294 -2.033 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.091 10.375 -3.492 1.00 1.00 H new ATOM 0 HG LEU A 447 31.284 10.922 -2.429 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.153 12.674 -4.201 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.423 13.055 -3.014 1.00 1.00 H new ATOM 0 HD13 LEU A 447 32.862 12.386 -4.604 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.602 10.311 -4.736 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.304 10.004 -5.154 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.486 8.981 -3.950 1.00 1.00 H new ATOM 297 N ILE A 448 35.280 9.123 -0.570 1.00 1.00 N ATOM 298 CA ILE A 448 36.622 8.669 -0.213 1.00 1.00 C ATOM 299 C ILE A 448 36.600 7.187 0.158 1.00 1.00 C ATOM 300 O ILE A 448 37.490 6.417 -0.233 1.00 1.00 O ATOM 301 CB ILE A 448 37.151 9.498 0.965 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.353 10.956 0.510 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.495 8.918 1.422 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.605 11.839 1.736 1.00 1.00 C ATOM 0 H ILE A 448 34.904 9.848 0.041 1.00 1.00 H new ATOM 0 HA ILE A 448 37.281 8.802 -1.071 1.00 1.00 H new ATOM 0 HB ILE A 448 36.438 9.468 1.788 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.196 11.021 -0.178 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.473 11.306 -0.030 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.877 9.502 2.259 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.357 7.883 1.735 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.207 8.956 0.598 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.748 12.872 1.417 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.748 11.782 2.408 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.498 11.493 2.257 1.00 1.00 H new ATOM 316 N VAL A 449 35.596 6.800 0.935 1.00 1.00 N ATOM 317 CA VAL A 449 35.488 5.421 1.372 1.00 1.00 C ATOM 318 C VAL A 449 35.324 4.492 0.170 1.00 1.00 C ATOM 319 O VAL A 449 35.930 3.417 0.130 1.00 1.00 O ATOM 320 CB VAL A 449 34.316 5.262 2.348 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.073 3.779 2.633 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.637 5.979 3.663 1.00 1.00 C ATOM 0 H VAL A 449 34.855 7.416 1.270 1.00 1.00 H new ATOM 0 HA VAL A 449 36.406 5.146 1.892 1.00 1.00 H new ATOM 0 HB VAL A 449 33.423 5.698 1.900 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.239 3.674 3.327 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.838 3.263 1.702 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.969 3.342 3.073 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.802 5.864 4.354 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.535 5.546 4.104 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.803 7.039 3.469 1.00 1.00 H new ATOM 332 N ILE A 450 34.493 4.882 -0.800 1.00 1.00 N ATOM 333 CA ILE A 450 34.258 4.041 -1.975 1.00 1.00 C ATOM 334 C ILE A 450 35.552 3.837 -2.771 1.00 1.00 C ATOM 335 O ILE A 450 35.838 2.724 -3.229 1.00 1.00 O ATOM 336 CB ILE A 450 33.213 4.721 -2.859 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.875 4.727 -2.120 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.066 3.946 -4.166 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.862 5.617 -2.848 1.00 1.00 C ATOM 0 H ILE A 450 33.978 5.763 -0.796 1.00 1.00 H new ATOM 0 HA ILE A 450 33.904 3.063 -1.649 1.00 1.00 H new ATOM 0 HB ILE A 450 33.523 5.742 -3.080 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.488 3.710 -2.048 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.018 5.087 -1.101 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.320 4.432 -4.795 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.023 3.926 -4.687 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.749 2.926 -3.950 1.00 1.00 H new ATOM 0 HD11 ILE A 450 29.916 5.609 -2.307 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.243 6.637 -2.897 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.706 5.239 -3.858 1.00 1.00 H new ATOM 351 N PHE A 451 36.314 4.912 -2.959 1.00 1.00 N ATOM 352 CA PHE A 451 37.550 4.776 -3.743 1.00 1.00 C ATOM 353 C PHE A 451 38.497 3.752 -3.108 1.00 1.00 C ATOM 354 O PHE A 451 39.056 2.896 -3.797 1.00 1.00 O ATOM 355 CB PHE A 451 38.276 6.120 -3.886 1.00 1.00 C ATOM 356 CG PHE A 451 37.537 7.012 -4.858 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.435 6.647 -6.208 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.958 8.204 -4.411 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.753 7.475 -7.107 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.277 9.033 -5.312 1.00 1.00 C ATOM 361 CZ PHE A 451 36.173 8.668 -6.660 1.00 1.00 C ATOM 0 H PHE A 451 36.116 5.847 -2.601 1.00 1.00 H new ATOM 0 HA PHE A 451 37.260 4.428 -4.734 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.347 6.609 -2.914 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.295 5.956 -4.235 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.883 5.727 -6.554 1.00 1.00 H new ATOM 0 HD2 PHE A 451 37.036 8.485 -3.371 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.674 7.193 -8.147 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.832 9.954 -4.967 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.646 9.306 -7.354 1.00 1.00 H new ATOM 371 N LEU A 452 38.670 3.844 -1.791 1.00 1.00 N ATOM 372 CA LEU A 452 39.536 2.923 -1.047 1.00 1.00 C ATOM 373 C LEU A 452 38.974 1.501 -1.053 1.00 1.00 C ATOM 374 O LEU A 452 39.725 0.523 -1.087 1.00 1.00 O ATOM 375 CB LEU A 452 39.702 3.405 0.400 1.00 1.00 C ATOM 376 CG LEU A 452 40.596 4.648 0.438 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.570 5.241 1.845 1.00 1.00 C ATOM 378 CD2 LEU A 452 42.041 4.270 0.081 1.00 1.00 C ATOM 0 H LEU A 452 38.219 4.552 -1.211 1.00 1.00 H new ATOM 0 HA LEU A 452 40.508 2.909 -1.541 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.727 3.635 0.830 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.140 2.613 1.008 1.00 1.00 H new ATOM 0 HG LEU A 452 40.226 5.376 -0.284 1.00 1.00 H new ATOM 0 HD11 LEU A 452 41.205 6.126 1.878 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.548 5.517 2.105 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.939 4.503 2.558 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.668 5.161 0.111 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.414 3.539 0.799 1.00 1.00 H new ATOM 0 HD23 LEU A 452 42.068 3.841 -0.921 1.00 1.00 H new ATOM 390 N THR A 453 37.649 1.396 -0.998 1.00 1.00 N ATOM 391 CA THR A 453 36.997 0.085 -0.966 1.00 1.00 C ATOM 392 C THR A 453 37.252 -0.697 -2.257 1.00 1.00 C ATOM 393 O THR A 453 37.560 -1.892 -2.218 1.00 1.00 O ATOM 394 CB THR A 453 35.490 0.271 -0.778 1.00 1.00 C ATOM 395 OG1 THR A 453 35.253 0.929 0.466 1.00 1.00 O ATOM 396 CG2 THR A 453 34.801 -1.103 -0.799 1.00 1.00 C ATOM 0 H THR A 453 37.010 2.191 -0.975 1.00 1.00 H new ATOM 0 HA THR A 453 37.415 -0.482 -0.134 1.00 1.00 H new ATOM 0 HB THR A 453 35.083 0.880 -1.585 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.296 1.899 0.336 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.727 -0.974 -0.665 1.00 1.00 H new ATOM 0 HG22 THR A 453 34.991 -1.591 -1.755 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.195 -1.720 0.008 1.00 1.00 H new ATOM 404 N ILE A 454 37.105 -0.027 -3.398 1.00 1.00 N ATOM 405 CA ILE A 454 37.302 -0.683 -4.686 1.00 1.00 C ATOM 406 C ILE A 454 38.772 -1.037 -4.909 1.00 1.00 C ATOM 407 O ILE A 454 39.095 -2.100 -5.435 1.00 1.00 O ATOM 408 CB ILE A 454 36.767 0.183 -5.837 1.00 1.00 C ATOM 409 CG1 ILE A 454 37.483 1.535 -5.881 1.00 1.00 C ATOM 410 CG2 ILE A 454 35.268 0.421 -5.644 1.00 1.00 C ATOM 411 CD1 ILE A 454 37.021 2.307 -7.117 1.00 1.00 C ATOM 0 H ILE A 454 36.853 0.960 -3.456 1.00 1.00 H new ATOM 0 HA ILE A 454 36.733 -1.613 -4.672 1.00 1.00 H new ATOM 0 HB ILE A 454 36.948 -0.343 -6.774 1.00 1.00 H new ATOM 0 HG12 ILE A 454 37.265 2.105 -4.978 1.00 1.00 H new ATOM 0 HG13 ILE A 454 38.563 1.388 -5.912 1.00 1.00 H new ATOM 0 HG21 ILE A 454 34.889 1.035 -6.461 1.00 1.00 H new ATOM 0 HG22 ILE A 454 34.746 -0.536 -5.637 1.00 1.00 H new ATOM 0 HG23 ILE A 454 35.100 0.933 -4.697 1.00 1.00 H new ATOM 0 HD11 ILE A 454 37.528 3.271 -7.154 1.00 1.00 H new ATOM 0 HD12 ILE A 454 37.262 1.736 -8.014 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.944 2.465 -7.066 1.00 1.00 H new ATOM 423 N ALA A 455 39.651 -0.115 -4.523 1.00 1.00 N ATOM 424 CA ALA A 455 41.081 -0.327 -4.713 1.00 1.00 C ATOM 425 C ALA A 455 41.576 -1.534 -3.925 1.00 1.00 C ATOM 426 O ALA A 455 42.378 -2.323 -4.424 1.00 1.00 O ATOM 427 CB ALA A 455 41.851 0.918 -4.272 1.00 1.00 C ATOM 0 H ALA A 455 39.403 0.772 -4.084 1.00 1.00 H new ATOM 0 HA ALA A 455 41.253 -0.517 -5.772 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.919 0.755 -4.416 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.531 1.773 -4.867 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.652 1.114 -3.218 1.00 1.00 H new ATOM 433 N VAL A 456 41.101 -1.672 -2.693 1.00 1.00 N ATOM 434 CA VAL A 456 41.508 -2.787 -1.848 1.00 1.00 C ATOM 435 C VAL A 456 41.036 -4.122 -2.413 1.00 1.00 C ATOM 436 O VAL A 456 41.803 -5.078 -2.453 1.00 1.00 O ATOM 437 CB VAL A 456 40.939 -2.603 -0.441 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.197 -3.866 0.383 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.622 -1.410 0.231 1.00 1.00 C ATOM 0 H VAL A 456 40.438 -1.030 -2.259 1.00 1.00 H new ATOM 0 HA VAL A 456 42.597 -2.798 -1.814 1.00 1.00 H new ATOM 0 HB VAL A 456 39.866 -2.422 -0.503 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.791 -3.735 1.386 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.714 -4.718 -0.096 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.270 -4.046 0.446 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.218 -1.277 1.234 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.695 -1.593 0.293 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.441 -0.509 -0.355 1.00 1.00 H new ATOM 449 N LEU A 457 39.784 -4.201 -2.846 1.00 1.00 N ATOM 450 CA LEU A 457 39.275 -5.456 -3.391 1.00 1.00 C ATOM 451 C LEU A 457 40.041 -5.848 -4.652 1.00 1.00 C ATOM 452 O LEU A 457 40.398 -7.014 -4.846 1.00 1.00 O ATOM 453 CB LEU A 457 37.787 -5.317 -3.720 1.00 1.00 C ATOM 454 CG LEU A 457 36.978 -5.196 -2.423 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.529 -4.838 -2.759 1.00 1.00 C ATOM 456 CD2 LEU A 457 37.007 -6.521 -1.648 1.00 1.00 C ATOM 0 H LEU A 457 39.115 -3.431 -2.833 1.00 1.00 H new ATOM 0 HA LEU A 457 39.412 -6.235 -2.641 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.624 -4.439 -4.345 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.449 -6.182 -4.291 1.00 1.00 H new ATOM 0 HG LEU A 457 37.420 -4.415 -1.804 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.953 -4.752 -1.838 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.503 -3.888 -3.293 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.097 -5.619 -3.385 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.428 -6.418 -0.730 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.576 -7.311 -2.262 1.00 1.00 H new ATOM 0 HD23 LEU A 457 38.038 -6.775 -1.401 1.00 1.00 H new ATOM 468 N LEU A 458 40.285 -4.859 -5.503 1.00 1.00 N ATOM 469 CA LEU A 458 41.004 -5.081 -6.752 1.00 1.00 C ATOM 470 C LEU A 458 42.444 -5.529 -6.507 1.00 1.00 C ATOM 471 O LEU A 458 42.955 -6.400 -7.210 1.00 1.00 O ATOM 472 CB LEU A 458 41.005 -3.798 -7.586 1.00 1.00 C ATOM 473 CG LEU A 458 39.589 -3.516 -8.103 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.546 -2.122 -8.729 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.186 -4.559 -9.156 1.00 1.00 C ATOM 0 H LEU A 458 39.995 -3.893 -5.351 1.00 1.00 H new ATOM 0 HA LEU A 458 40.490 -5.877 -7.291 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.356 -2.961 -6.982 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.695 -3.898 -8.424 1.00 1.00 H new ATOM 0 HG LEU A 458 38.891 -3.570 -7.267 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.540 -1.919 -9.097 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.815 -1.378 -7.979 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.252 -2.073 -9.558 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.179 -4.345 -9.513 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.884 -4.520 -9.993 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.209 -5.554 -8.711 1.00 1.00 H new ATOM 487 N ALA A 459 43.106 -4.903 -5.536 1.00 1.00 N ATOM 488 CA ALA A 459 44.502 -5.215 -5.240 1.00 1.00 C ATOM 489 C ALA A 459 44.707 -6.680 -4.857 1.00 1.00 C ATOM 490 O ALA A 459 45.609 -7.343 -5.363 1.00 1.00 O ATOM 491 CB ALA A 459 44.996 -4.323 -4.100 1.00 1.00 C ATOM 0 H ALA A 459 42.700 -4.179 -4.943 1.00 1.00 H new ATOM 0 HA ALA A 459 45.073 -5.029 -6.149 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.038 -4.557 -3.880 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.913 -3.277 -4.395 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.389 -4.499 -3.212 1.00 1.00 H new ATOM 497 N LEU A 460 43.883 -7.164 -3.935 1.00 1.00 N ATOM 498 CA LEU A 460 44.021 -8.542 -3.471 1.00 1.00 C ATOM 499 C LEU A 460 43.804 -9.547 -4.596 1.00 1.00 C ATOM 500 O LEU A 460 44.559 -10.511 -4.712 1.00 1.00 O ATOM 501 CB LEU A 460 43.044 -8.823 -2.325 1.00 1.00 C ATOM 502 CG LEU A 460 43.687 -8.435 -0.987 1.00 1.00 C ATOM 503 CD1 LEU A 460 44.113 -6.967 -1.007 1.00 1.00 C ATOM 504 CD2 LEU A 460 42.675 -8.652 0.141 1.00 1.00 C ATOM 0 H LEU A 460 43.126 -6.636 -3.500 1.00 1.00 H new ATOM 0 HA LEU A 460 45.043 -8.660 -3.111 1.00 1.00 H new ATOM 0 HB2 LEU A 460 42.123 -8.259 -2.473 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.773 -9.879 -2.316 1.00 1.00 H new ATOM 0 HG LEU A 460 44.568 -9.056 -0.824 1.00 1.00 H new ATOM 0 HD11 LEU A 460 44.567 -6.707 -0.051 1.00 1.00 H new ATOM 0 HD12 LEU A 460 44.836 -6.809 -1.807 1.00 1.00 H new ATOM 0 HD13 LEU A 460 43.240 -6.337 -1.177 1.00 1.00 H new ATOM 0 HD21 LEU A 460 43.128 -8.378 1.094 1.00 1.00 H new ATOM 0 HD22 LEU A 460 41.796 -8.032 -0.035 1.00 1.00 H new ATOM 0 HD23 LEU A 460 42.380 -9.701 0.168 1.00 1.00 H new ATOM 516 N ARG A 461 42.800 -9.331 -5.438 1.00 1.00 N ATOM 517 CA ARG A 461 42.566 -10.257 -6.541 1.00 1.00 C ATOM 518 C ARG A 461 43.761 -10.226 -7.491 1.00 1.00 C ATOM 519 O ARG A 461 44.261 -11.267 -7.923 1.00 1.00 O ATOM 520 CB ARG A 461 41.269 -9.869 -7.274 1.00 1.00 C ATOM 521 CG ARG A 461 40.941 -10.880 -8.387 1.00 1.00 C ATOM 522 CD ARG A 461 41.476 -10.394 -9.742 1.00 1.00 C ATOM 523 NE ARG A 461 40.798 -9.165 -10.138 1.00 1.00 N ATOM 524 CZ ARG A 461 41.108 -8.544 -11.272 1.00 1.00 C ATOM 525 NH1 ARG A 461 42.032 -9.033 -12.052 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.486 -7.446 -11.606 1.00 1.00 N ATOM 0 H ARG A 461 42.151 -8.546 -5.383 1.00 1.00 H new ATOM 0 HA ARG A 461 42.454 -11.271 -6.158 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.444 -9.825 -6.563 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.373 -8.872 -7.702 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.378 -11.849 -8.145 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.862 -11.024 -8.447 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.550 -10.221 -9.676 1.00 1.00 H new ATOM 0 HD3 ARG A 461 41.323 -11.163 -10.499 1.00 1.00 H new ATOM 0 HE ARG A 461 40.074 -8.775 -9.535 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.517 -9.892 -11.792 1.00 1.00 H new ATOM 0 HH12 ARG A 461 42.270 -8.556 -12.922 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.762 -7.064 -10.997 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.724 -6.970 -12.476 1.00 1.00 H new ATOM 540 N PHE A 462 44.223 -9.014 -7.787 1.00 1.00 N ATOM 541 CA PHE A 462 45.371 -8.803 -8.661 1.00 1.00 C ATOM 542 C PHE A 462 46.618 -9.428 -8.061 1.00 1.00 C ATOM 543 O PHE A 462 47.381 -10.100 -8.750 1.00 1.00 O ATOM 544 CB PHE A 462 45.598 -7.305 -8.873 1.00 1.00 C ATOM 545 CG PHE A 462 46.779 -7.099 -9.790 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.652 -7.352 -11.161 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.000 -6.656 -9.270 1.00 1.00 C ATOM 548 CE1 PHE A 462 47.748 -7.161 -12.012 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.095 -6.465 -10.120 1.00 1.00 C ATOM 550 CZ PHE A 462 48.969 -6.718 -11.491 1.00 1.00 C ATOM 0 H PHE A 462 43.812 -8.152 -7.428 1.00 1.00 H new ATOM 0 HA PHE A 462 45.167 -9.277 -9.621 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.706 -6.849 -9.303 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.777 -6.815 -7.916 1.00 1.00 H new ATOM 0 HD1 PHE A 462 45.710 -7.694 -11.562 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.097 -6.461 -8.212 1.00 1.00 H new ATOM 0 HE1 PHE A 462 47.651 -7.356 -13.070 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.037 -6.122 -9.718 1.00 1.00 H new ATOM 0 HZ PHE A 462 49.814 -6.571 -12.147 1.00 1.00 H new ATOM 560 N CYS A 463 46.813 -9.207 -6.769 1.00 1.00 N ATOM 561 CA CYS A 463 47.952 -9.740 -6.045 1.00 1.00 C ATOM 562 C CYS A 463 47.739 -11.214 -5.740 1.00 1.00 C ATOM 563 O CYS A 463 48.694 -11.956 -5.514 1.00 1.00 O ATOM 564 CB CYS A 463 48.136 -8.965 -4.743 1.00 1.00 C ATOM 565 SG CYS A 463 48.423 -7.217 -5.117 1.00 1.00 S ATOM 0 H CYS A 463 46.181 -8.650 -6.193 1.00 1.00 H new ATOM 0 HA CYS A 463 48.845 -9.635 -6.661 1.00 1.00 H new ATOM 0 HB2 CYS A 463 47.252 -9.073 -4.115 1.00 1.00 H new ATOM 0 HB3 CYS A 463 48.978 -9.371 -4.182 1.00 1.00 H new ATOM 0 HG CYS A 463 47.282 -6.611 -5.260 1.00 1.00 H new ATOM 571 N GLY A 464 46.480 -11.632 -5.734 1.00 1.00 N ATOM 572 CA GLY A 464 46.172 -13.027 -5.449 1.00 1.00 C ATOM 573 C GLY A 464 46.799 -13.939 -6.496 1.00 1.00 C ATOM 574 O GLY A 464 47.400 -14.964 -6.167 1.00 1.00 O ATOM 0 H GLY A 464 45.671 -11.039 -5.919 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.543 -13.292 -4.459 1.00 1.00 H new ATOM 0 HA3 GLY A 464 45.092 -13.171 -5.434 1.00 1.00 H new ATOM 578 N ILE A 465 46.665 -13.554 -7.763 1.00 1.00 N ATOM 579 CA ILE A 465 47.228 -14.340 -8.859 1.00 1.00 C ATOM 580 C ILE A 465 48.755 -14.397 -8.756 1.00 1.00 C ATOM 581 O ILE A 465 49.361 -15.450 -8.965 1.00 1.00 O ATOM 582 CB ILE A 465 46.830 -13.716 -10.199 1.00 1.00 C ATOM 583 CG1 ILE A 465 45.322 -13.877 -10.408 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.582 -14.418 -11.334 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.873 -13.022 -11.594 1.00 1.00 C ATOM 0 H ILE A 465 46.175 -12.709 -8.055 1.00 1.00 H new ATOM 0 HA ILE A 465 46.835 -15.355 -8.794 1.00 1.00 H new ATOM 0 HB ILE A 465 47.085 -12.656 -10.197 1.00 1.00 H new ATOM 0 HG12 ILE A 465 45.080 -14.924 -10.590 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.786 -13.577 -9.507 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.298 -13.973 -12.288 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.656 -14.303 -11.185 1.00 1.00 H new ATOM 0 HG23 ILE A 465 47.328 -15.478 -11.338 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.799 -13.138 -11.741 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.101 -11.975 -11.394 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.399 -13.343 -12.493 1.00 1.00 H new ATOM 597 N TYR A 466 49.376 -13.260 -8.453 1.00 1.00 N ATOM 598 CA TYR A 466 50.836 -13.217 -8.355 1.00 1.00 C ATOM 599 C TYR A 466 51.352 -13.923 -7.098 1.00 1.00 C ATOM 600 O TYR A 466 52.508 -14.343 -7.050 1.00 1.00 O ATOM 601 CB TYR A 466 51.328 -11.767 -8.373 1.00 1.00 C ATOM 602 CG TYR A 466 51.351 -11.262 -9.796 1.00 1.00 C ATOM 603 CD1 TYR A 466 50.163 -10.868 -10.422 1.00 1.00 C ATOM 604 CD2 TYR A 466 52.565 -11.185 -10.490 1.00 1.00 C ATOM 605 CE1 TYR A 466 50.189 -10.397 -11.741 1.00 1.00 C ATOM 606 CE2 TYR A 466 52.591 -10.716 -11.808 1.00 1.00 C ATOM 607 CZ TYR A 466 51.403 -10.321 -12.434 1.00 1.00 C ATOM 608 OH TYR A 466 51.427 -9.856 -13.734 1.00 1.00 O ATOM 0 H TYR A 466 48.905 -12.373 -8.274 1.00 1.00 H new ATOM 0 HA TYR A 466 51.231 -13.749 -9.220 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.674 -11.142 -7.764 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.325 -11.704 -7.937 1.00 1.00 H new ATOM 0 HD1 TYR A 466 49.226 -10.927 -9.888 1.00 1.00 H new ATOM 0 HD2 TYR A 466 53.482 -11.488 -10.007 1.00 1.00 H new ATOM 0 HE1 TYR A 466 49.272 -10.092 -12.224 1.00 1.00 H new ATOM 0 HE2 TYR A 466 53.528 -10.659 -12.342 1.00 1.00 H new ATOM 0 HH TYR A 466 52.348 -9.866 -14.068 1.00 1.00 H new ATOM 618 N GLY A 467 50.495 -14.071 -6.093 1.00 1.00 N ATOM 619 CA GLY A 467 50.903 -14.752 -4.865 1.00 1.00 C ATOM 620 C GLY A 467 51.708 -13.833 -3.953 1.00 1.00 C ATOM 621 O GLY A 467 52.766 -14.220 -3.457 1.00 1.00 O ATOM 0 H GLY A 467 49.531 -13.737 -6.100 1.00 1.00 H new ATOM 0 HA2 GLY A 467 50.019 -15.108 -4.335 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.499 -15.629 -5.116 1.00 1.00 H new ATOM 625 N TYR A 468 51.222 -12.618 -3.739 1.00 1.00 N ATOM 626 CA TYR A 468 51.941 -11.671 -2.894 1.00 1.00 C ATOM 627 C TYR A 468 52.095 -12.238 -1.477 1.00 1.00 C ATOM 628 O TYR A 468 53.186 -12.192 -0.908 1.00 1.00 O ATOM 629 CB TYR A 468 51.207 -10.323 -2.883 1.00 1.00 C ATOM 630 CG TYR A 468 51.881 -9.346 -1.941 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.222 -8.988 -2.143 1.00 1.00 C ATOM 632 CD2 TYR A 468 51.165 -8.791 -0.872 1.00 1.00 C ATOM 633 CE1 TYR A 468 53.843 -8.081 -1.277 1.00 1.00 C ATOM 634 CE2 TYR A 468 51.788 -7.884 -0.007 1.00 1.00 C ATOM 635 CZ TYR A 468 53.127 -7.529 -0.210 1.00 1.00 C ATOM 636 OH TYR A 468 53.740 -6.635 0.643 1.00 1.00 O ATOM 0 H TYR A 468 50.348 -12.268 -4.131 1.00 1.00 H new ATOM 0 HA TYR A 468 52.941 -11.510 -3.298 1.00 1.00 H new ATOM 0 HB2 TYR A 468 51.187 -9.907 -3.890 1.00 1.00 H new ATOM 0 HB3 TYR A 468 50.171 -10.471 -2.579 1.00 1.00 H new ATOM 0 HD1 TYR A 468 53.776 -9.413 -2.967 1.00 1.00 H new ATOM 0 HD2 TYR A 468 50.132 -9.063 -0.715 1.00 1.00 H new ATOM 0 HE1 TYR A 468 54.876 -7.807 -1.433 1.00 1.00 H new ATOM 0 HE2 TYR A 468 51.236 -7.458 0.817 1.00 1.00 H new ATOM 0 HH TYR A 468 53.102 -6.347 1.329 1.00 1.00 H new ATOM 646 N ARG A 469 51.015 -12.799 -0.925 1.00 1.00 N ATOM 647 CA ARG A 469 51.072 -13.401 0.413 1.00 1.00 C ATOM 648 C ARG A 469 50.493 -14.814 0.415 1.00 1.00 C ATOM 649 O ARG A 469 49.469 -15.088 -0.214 1.00 1.00 O ATOM 650 CB ARG A 469 50.311 -12.548 1.429 1.00 1.00 C ATOM 651 CG ARG A 469 51.081 -11.257 1.690 1.00 1.00 C ATOM 652 CD ARG A 469 50.289 -10.371 2.653 1.00 1.00 C ATOM 653 NE ARG A 469 51.022 -9.140 2.926 1.00 1.00 N ATOM 654 CZ ARG A 469 50.484 -8.166 3.654 1.00 1.00 C ATOM 655 NH1 ARG A 469 49.280 -8.304 4.139 1.00 1.00 N ATOM 656 NH2 ARG A 469 51.159 -7.074 3.883 1.00 1.00 N ATOM 0 H ARG A 469 50.101 -12.850 -1.376 1.00 1.00 H new ATOM 0 HA ARG A 469 52.124 -13.450 0.695 1.00 1.00 H new ATOM 0 HB2 ARG A 469 49.314 -12.319 1.053 1.00 1.00 H new ATOM 0 HB3 ARG A 469 50.182 -13.101 2.359 1.00 1.00 H new ATOM 0 HG2 ARG A 469 52.060 -11.485 2.112 1.00 1.00 H new ATOM 0 HG3 ARG A 469 51.253 -10.729 0.752 1.00 1.00 H new ATOM 0 HD2 ARG A 469 49.315 -10.135 2.224 1.00 1.00 H new ATOM 0 HD3 ARG A 469 50.105 -10.907 3.584 1.00 1.00 H new ATOM 0 HE ARG A 469 51.964 -9.024 2.552 1.00 1.00 H new ATOM 0 HH11 ARG A 469 48.753 -9.158 3.959 1.00 1.00 H new ATOM 0 HH12 ARG A 469 48.867 -7.557 4.698 1.00 1.00 H new ATOM 0 HH21 ARG A 469 52.100 -6.967 3.504 1.00 1.00 H new ATOM 0 HH22 ARG A 469 50.746 -6.327 4.441 1.00 1.00 H new ATOM 670 N LEU A 470 51.159 -15.702 1.148 1.00 1.00 N ATOM 671 CA LEU A 470 50.722 -17.088 1.266 1.00 1.00 C ATOM 672 C LEU A 470 49.362 -17.168 1.954 1.00 1.00 C ATOM 673 O LEU A 470 48.507 -17.972 1.579 1.00 1.00 O ATOM 674 CB LEU A 470 51.748 -17.892 2.068 1.00 1.00 C ATOM 675 CG LEU A 470 53.038 -18.044 1.252 1.00 1.00 C ATOM 676 CD1 LEU A 470 54.130 -18.648 2.136 1.00 1.00 C ATOM 677 CD2 LEU A 470 52.799 -18.958 0.042 1.00 1.00 C ATOM 0 H LEU A 470 52.007 -15.484 1.671 1.00 1.00 H new ATOM 0 HA LEU A 470 50.633 -17.506 0.263 1.00 1.00 H new ATOM 0 HB2 LEU A 470 51.960 -17.390 3.012 1.00 1.00 H new ATOM 0 HB3 LEU A 470 51.344 -18.874 2.313 1.00 1.00 H new ATOM 0 HG LEU A 470 53.350 -17.062 0.897 1.00 1.00 H new ATOM 0 HD11 LEU A 470 55.048 -18.757 1.558 1.00 1.00 H new ATOM 0 HD12 LEU A 470 54.313 -17.992 2.987 1.00 1.00 H new ATOM 0 HD13 LEU A 470 53.809 -19.626 2.494 1.00 1.00 H new ATOM 0 HD21 LEU A 470 53.723 -19.057 -0.528 1.00 1.00 H new ATOM 0 HD22 LEU A 470 52.478 -19.941 0.386 1.00 1.00 H new ATOM 0 HD23 LEU A 470 52.026 -18.526 -0.593 1.00 1.00 H new ATOM 689 N ARG A 471 49.182 -16.341 2.980 1.00 1.00 N ATOM 690 CA ARG A 471 47.939 -16.329 3.743 1.00 1.00 C ATOM 691 C ARG A 471 46.748 -16.002 2.846 1.00 1.00 C ATOM 692 O ARG A 471 45.693 -16.626 2.958 1.00 1.00 O ATOM 693 CB ARG A 471 48.036 -15.299 4.873 1.00 1.00 C ATOM 694 CG ARG A 471 46.769 -15.345 5.733 1.00 1.00 C ATOM 695 CD ARG A 471 46.882 -14.318 6.862 1.00 1.00 C ATOM 696 NE ARG A 471 45.763 -14.459 7.786 1.00 1.00 N ATOM 697 CZ ARG A 471 45.644 -13.666 8.846 1.00 1.00 C ATOM 698 NH1 ARG A 471 46.537 -12.743 9.074 1.00 1.00 N ATOM 699 NH2 ARG A 471 44.633 -13.811 9.659 1.00 1.00 N ATOM 0 H ARG A 471 49.881 -15.671 3.302 1.00 1.00 H new ATOM 0 HA ARG A 471 47.786 -17.322 4.165 1.00 1.00 H new ATOM 0 HB2 ARG A 471 48.911 -15.504 5.489 1.00 1.00 H new ATOM 0 HB3 ARG A 471 48.167 -14.300 4.456 1.00 1.00 H new ATOM 0 HG2 ARG A 471 45.893 -15.133 5.120 1.00 1.00 H new ATOM 0 HG3 ARG A 471 46.634 -16.344 6.148 1.00 1.00 H new ATOM 0 HD2 ARG A 471 47.823 -14.455 7.395 1.00 1.00 H new ATOM 0 HD3 ARG A 471 46.895 -13.310 6.447 1.00 1.00 H new ATOM 0 HE ARG A 471 45.060 -15.178 7.616 1.00 1.00 H new ATOM 0 HH11 ARG A 471 47.327 -12.630 8.439 1.00 1.00 H new ATOM 0 HH12 ARG A 471 46.445 -12.135 9.888 1.00 1.00 H new ATOM 0 HH21 ARG A 471 43.935 -14.533 9.481 1.00 1.00 H new ATOM 0 HH22 ARG A 471 44.541 -13.203 10.473 1.00 1.00 H new ATOM 713 N ARG A 472 46.910 -15.021 1.963 1.00 1.00 N ATOM 714 CA ARG A 472 45.817 -14.643 1.075 1.00 1.00 C ATOM 715 C ARG A 472 45.446 -15.819 0.177 1.00 1.00 C ATOM 716 O ARG A 472 44.266 -16.094 -0.044 1.00 1.00 O ATOM 717 CB ARG A 472 46.230 -13.452 0.208 1.00 1.00 C ATOM 718 CG ARG A 472 46.308 -12.192 1.072 1.00 1.00 C ATOM 719 CD ARG A 472 46.743 -11.007 0.207 1.00 1.00 C ATOM 720 NE ARG A 472 46.825 -9.795 1.015 1.00 1.00 N ATOM 721 CZ ARG A 472 46.897 -8.596 0.447 1.00 1.00 C ATOM 722 NH1 ARG A 472 46.898 -8.487 -0.853 1.00 1.00 N ATOM 723 NH2 ARG A 472 46.967 -7.525 1.192 1.00 1.00 N ATOM 0 H ARG A 472 47.769 -14.484 1.844 1.00 1.00 H new ATOM 0 HA ARG A 472 44.955 -14.364 1.681 1.00 1.00 H new ATOM 0 HB2 ARG A 472 47.196 -13.646 -0.258 1.00 1.00 H new ATOM 0 HB3 ARG A 472 45.510 -13.309 -0.598 1.00 1.00 H new ATOM 0 HG2 ARG A 472 45.338 -11.988 1.525 1.00 1.00 H new ATOM 0 HG3 ARG A 472 47.016 -12.340 1.887 1.00 1.00 H new ATOM 0 HD2 ARG A 472 47.711 -11.216 -0.248 1.00 1.00 H new ATOM 0 HD3 ARG A 472 46.033 -10.862 -0.607 1.00 1.00 H new ATOM 0 HE ARG A 472 46.827 -9.869 2.032 1.00 1.00 H new ATOM 0 HH11 ARG A 472 46.843 -9.323 -1.435 1.00 1.00 H new ATOM 0 HH12 ARG A 472 46.953 -7.566 -1.288 1.00 1.00 H new ATOM 0 HH21 ARG A 472 46.966 -7.610 2.208 1.00 1.00 H new ATOM 0 HH22 ARG A 472 47.022 -6.604 0.757 1.00 1.00 H new ATOM 737 N LYS A 473 46.457 -16.520 -0.326 1.00 1.00 N ATOM 738 CA LYS A 473 46.226 -17.677 -1.187 1.00 1.00 C ATOM 739 C LYS A 473 47.341 -18.702 -1.009 1.00 1.00 C ATOM 740 O LYS A 473 48.239 -18.721 -1.835 1.00 1.00 O ATOM 741 CB LYS A 473 46.152 -17.261 -2.661 1.00 1.00 C ATOM 742 CG LYS A 473 44.882 -16.441 -2.916 1.00 1.00 C ATOM 743 CD LYS A 473 44.817 -16.050 -4.393 1.00 1.00 C ATOM 744 CE LYS A 473 43.548 -15.237 -4.652 1.00 1.00 C ATOM 745 NZ LYS A 473 43.490 -14.851 -6.090 1.00 1.00 N ATOM 746 OXT LYS A 473 47.280 -19.454 -0.050 1.00 1.00 O ATOM 0 H LYS A 473 47.440 -16.309 -0.154 1.00 1.00 H new ATOM 0 HA LYS A 473 45.273 -18.120 -0.898 1.00 1.00 H new ATOM 0 HB2 LYS A 473 47.032 -16.674 -2.926 1.00 1.00 H new ATOM 0 HB3 LYS A 473 46.156 -18.146 -3.297 1.00 1.00 H new ATOM 0 HG2 LYS A 473 44.001 -17.021 -2.643 1.00 1.00 H new ATOM 0 HG3 LYS A 473 44.881 -15.548 -2.292 1.00 1.00 H new ATOM 0 HD2 LYS A 473 45.697 -15.466 -4.664 1.00 1.00 H new ATOM 0 HD3 LYS A 473 44.822 -16.944 -5.017 1.00 1.00 H new ATOM 0 HE2 LYS A 473 42.668 -15.822 -4.386 1.00 1.00 H new ATOM 0 HE3 LYS A 473 43.540 -14.346 -4.025 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 43.288 -13.834 -6.169 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 44.403 -15.058 -6.542 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 42.739 -15.391 -6.564 1.00 1.00 H new TER 760 LYS A 473