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+ -163:sc=-0.00909 (180deg=-0.327) USER MOD Single : A 433 SER OG : rot 115:sc= 0.957 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot 160:sc= -0.352 USER MOD Single : A 442 MET CE :methyl -149:sc= -0.0673 (180deg=-0.614) USER MOD Single : A 453 THR OG1 : rot 62:sc= 1.28 USER MOD Single : A 463 CYS SG : rot -38:sc= -0.23 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 22.648 36.890 7.256 1.00 1.00 N ATOM 2 CA GLY A 430 23.546 37.496 6.230 1.00 1.00 C ATOM 3 C GLY A 430 24.281 36.392 5.478 1.00 1.00 C ATOM 4 O GLY A 430 25.309 35.892 5.938 1.00 1.00 O ATOM 0 HA2 GLY A 430 22.964 38.099 5.533 1.00 1.00 H new ATOM 0 HA3 GLY A 430 24.263 38.164 6.708 1.00 1.00 H new ATOM 10 N LYS A 431 23.747 36.017 4.317 1.00 1.00 N ATOM 11 CA LYS A 431 24.355 34.971 3.500 1.00 1.00 C ATOM 12 C LYS A 431 24.577 35.468 2.074 1.00 1.00 C ATOM 13 O LYS A 431 23.787 36.252 1.549 1.00 1.00 O ATOM 14 CB LYS A 431 23.451 33.737 3.478 1.00 1.00 C ATOM 15 CG LYS A 431 23.386 33.128 4.879 1.00 1.00 C ATOM 16 CD LYS A 431 22.457 31.914 4.865 1.00 1.00 C ATOM 17 CE LYS A 431 22.340 31.345 6.280 1.00 1.00 C ATOM 18 NZ LYS A 431 23.660 30.795 6.704 1.00 1.00 N ATOM 0 H LYS A 431 22.897 36.421 3.923 1.00 1.00 H new ATOM 0 HA LYS A 431 25.319 34.708 3.935 1.00 1.00 H new ATOM 0 HB2 LYS A 431 22.451 34.012 3.142 1.00 1.00 H new ATOM 0 HB3 LYS A 431 23.835 33.004 2.769 1.00 1.00 H new ATOM 0 HG2 LYS A 431 24.383 32.832 5.205 1.00 1.00 H new ATOM 0 HG3 LYS A 431 23.024 33.868 5.592 1.00 1.00 H new ATOM 0 HD2 LYS A 431 21.473 32.200 4.494 1.00 1.00 H new ATOM 0 HD3 LYS A 431 22.845 31.154 4.187 1.00 1.00 H new ATOM 0 HE2 LYS A 431 22.019 32.124 6.972 1.00 1.00 H new ATOM 0 HE3 LYS A 431 21.582 30.562 6.308 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 23.527 30.164 7.520 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 24.082 30.261 5.918 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 24.292 31.577 6.971 1.00 1.00 H new ATOM 32 N ARG A 432 25.661 35.009 1.454 1.00 1.00 N ATOM 33 CA ARG A 432 25.980 35.418 0.091 1.00 1.00 C ATOM 34 C ARG A 432 24.910 34.927 -0.880 1.00 1.00 C ATOM 35 O ARG A 432 24.524 35.641 -1.805 1.00 1.00 O ATOM 36 CB ARG A 432 27.342 34.852 -0.318 1.00 1.00 C ATOM 37 CG ARG A 432 28.448 35.584 0.445 1.00 1.00 C ATOM 38 CD ARG A 432 29.810 34.993 0.073 1.00 1.00 C ATOM 39 NE ARG A 432 30.872 35.682 0.797 1.00 1.00 N ATOM 40 CZ ARG A 432 31.475 36.753 0.286 1.00 1.00 C ATOM 41 NH1 ARG A 432 31.100 37.230 -0.870 1.00 1.00 N ATOM 42 NH2 ARG A 432 32.439 37.334 0.946 1.00 1.00 N ATOM 0 H ARG A 432 26.328 34.359 1.870 1.00 1.00 H new ATOM 0 HA ARG A 432 26.014 36.507 0.056 1.00 1.00 H new ATOM 0 HB2 ARG A 432 27.383 33.784 -0.104 1.00 1.00 H new ATOM 0 HB3 ARG A 432 27.488 34.968 -1.392 1.00 1.00 H new ATOM 0 HG2 ARG A 432 28.425 36.647 0.207 1.00 1.00 H new ATOM 0 HG3 ARG A 432 28.283 35.494 1.519 1.00 1.00 H new ATOM 0 HD2 ARG A 432 29.830 33.929 0.309 1.00 1.00 H new ATOM 0 HD3 ARG A 432 29.973 35.084 -1.001 1.00 1.00 H new ATOM 0 HE ARG A 432 31.158 35.336 1.713 1.00 1.00 H new ATOM 0 HH11 ARG A 432 30.342 36.782 -1.385 1.00 1.00 H new ATOM 0 HH12 ARG A 432 31.565 38.051 -1.258 1.00 1.00 H new ATOM 0 HH21 ARG A 432 32.730 36.967 1.852 1.00 1.00 H new ATOM 0 HH22 ARG A 432 32.902 38.155 0.556 1.00 1.00 H new ATOM 56 N SER A 433 24.431 33.709 -0.662 1.00 1.00 N ATOM 57 CA SER A 433 23.403 33.141 -1.527 1.00 1.00 C ATOM 58 C SER A 433 22.644 32.035 -0.802 1.00 1.00 C ATOM 59 O SER A 433 23.110 31.506 0.207 1.00 1.00 O ATOM 60 CB SER A 433 24.042 32.575 -2.795 1.00 1.00 C ATOM 61 OG SER A 433 24.856 31.460 -2.454 1.00 1.00 O ATOM 0 H SER A 433 24.733 33.100 0.098 1.00 1.00 H new ATOM 0 HA SER A 433 22.703 33.932 -1.795 1.00 1.00 H new ATOM 0 HB2 SER A 433 23.269 32.273 -3.502 1.00 1.00 H new ATOM 0 HB3 SER A 433 24.642 33.341 -3.287 1.00 1.00 H new ATOM 0 HG SER A 433 24.480 30.647 -2.852 1.00 1.00 H new ATOM 67 N TRP A 434 21.471 31.689 -1.323 1.00 1.00 N ATOM 68 CA TRP A 434 20.655 30.643 -0.717 1.00 1.00 C ATOM 69 C TRP A 434 21.419 29.322 -0.677 1.00 1.00 C ATOM 70 O TRP A 434 21.361 28.593 0.314 1.00 1.00 O ATOM 71 CB TRP A 434 19.354 30.468 -1.504 1.00 1.00 C ATOM 72 CG TRP A 434 18.490 29.455 -0.824 1.00 1.00 C ATOM 73 CD1 TRP A 434 17.659 29.713 0.213 1.00 1.00 C ATOM 74 CD2 TRP A 434 18.345 28.035 -1.118 1.00 1.00 C ATOM 75 NE1 TRP A 434 17.022 28.540 0.578 1.00 1.00 N ATOM 76 CE2 TRP A 434 17.412 27.477 -0.214 1.00 1.00 C ATOM 77 CE3 TRP A 434 18.932 27.185 -2.073 1.00 1.00 C ATOM 78 CZ2 TRP A 434 17.071 26.124 -0.254 1.00 1.00 C ATOM 79 CZ3 TRP A 434 18.592 25.823 -2.117 1.00 1.00 C ATOM 80 CH2 TRP A 434 17.664 25.294 -1.209 1.00 1.00 C ATOM 0 H TRP A 434 21.067 32.114 -2.157 1.00 1.00 H new ATOM 0 HA TRP A 434 20.418 30.940 0.305 1.00 1.00 H new ATOM 0 HB2 TRP A 434 18.829 31.420 -1.575 1.00 1.00 H new ATOM 0 HB3 TRP A 434 19.573 30.149 -2.523 1.00 1.00 H new ATOM 0 HD1 TRP A 434 17.516 30.677 0.679 1.00 1.00 H new ATOM 0 HE1 TRP A 434 16.347 28.469 1.339 1.00 1.00 H new ATOM 0 HE3 TRP A 434 19.649 27.582 -2.777 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 16.355 25.722 0.447 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 19.048 25.179 -2.855 1.00 1.00 H new ATOM 0 HH2 TRP A 434 17.408 24.246 -1.248 1.00 1.00 H new ATOM 91 N ASP A 435 22.135 29.019 -1.757 1.00 1.00 N ATOM 92 CA ASP A 435 22.903 27.781 -1.826 1.00 1.00 C ATOM 93 C ASP A 435 24.365 28.032 -1.467 1.00 1.00 C ATOM 94 O ASP A 435 25.104 28.649 -2.232 1.00 1.00 O ATOM 95 CB ASP A 435 22.814 27.186 -3.233 1.00 1.00 C ATOM 96 CG ASP A 435 23.299 28.199 -4.264 1.00 1.00 C ATOM 97 OD1 ASP A 435 23.572 29.325 -3.881 1.00 1.00 O ATOM 98 OD2 ASP A 435 23.391 27.835 -5.425 1.00 1.00 O ATOM 0 H ASP A 435 22.199 29.607 -2.588 1.00 1.00 H new ATOM 0 HA ASP A 435 22.482 27.077 -1.108 1.00 1.00 H new ATOM 0 HB2 ASP A 435 23.417 26.280 -3.291 1.00 1.00 H new ATOM 0 HB3 ASP A 435 21.785 26.899 -3.450 1.00 1.00 H new ATOM 103 N THR A 436 24.769 27.544 -0.298 1.00 1.00 N ATOM 104 CA THR A 436 26.144 27.712 0.164 1.00 1.00 C ATOM 105 C THR A 436 26.779 26.357 0.456 1.00 1.00 C ATOM 106 O THR A 436 26.218 25.544 1.189 1.00 1.00 O ATOM 107 CB THR A 436 26.167 28.571 1.430 1.00 1.00 C ATOM 108 OG1 THR A 436 25.610 29.848 1.145 1.00 1.00 O ATOM 109 CG2 THR A 436 27.610 28.736 1.912 1.00 1.00 C ATOM 0 H THR A 436 24.167 27.031 0.345 1.00 1.00 H new ATOM 0 HA THR A 436 26.715 28.207 -0.622 1.00 1.00 H new ATOM 0 HB THR A 436 25.581 28.085 2.210 1.00 1.00 H new ATOM 0 HG1 THR A 436 25.623 30.399 1.956 1.00 1.00 H new ATOM 0 HG21 THR A 436 27.625 29.348 2.814 1.00 1.00 H new ATOM 0 HG22 THR A 436 28.035 27.756 2.131 1.00 1.00 H new ATOM 0 HG23 THR A 436 28.200 29.221 1.135 1.00 1.00 H new ATOM 117 N GLU A 437 27.956 26.120 -0.116 1.00 1.00 N ATOM 118 CA GLU A 437 28.656 24.859 0.098 1.00 1.00 C ATOM 119 C GLU A 437 29.098 24.740 1.553 1.00 1.00 C ATOM 120 O GLU A 437 29.593 25.702 2.140 1.00 1.00 O ATOM 121 CB GLU A 437 29.881 24.776 -0.818 1.00 1.00 C ATOM 122 CG GLU A 437 29.435 24.719 -2.281 1.00 1.00 C ATOM 123 CD GLU A 437 28.660 23.433 -2.543 1.00 1.00 C ATOM 124 OE1 GLU A 437 28.803 22.509 -1.757 1.00 1.00 O ATOM 125 OE2 GLU A 437 27.933 23.389 -3.521 1.00 1.00 O ATOM 0 H GLU A 437 28.441 26.778 -0.726 1.00 1.00 H new ATOM 0 HA GLU A 437 27.975 24.040 -0.136 1.00 1.00 H new ATOM 0 HB2 GLU A 437 30.524 25.641 -0.658 1.00 1.00 H new ATOM 0 HB3 GLU A 437 30.469 23.892 -0.573 1.00 1.00 H new ATOM 0 HG2 GLU A 437 28.811 25.582 -2.513 1.00 1.00 H new ATOM 0 HG3 GLU A 437 30.304 24.769 -2.936 1.00 1.00 H new ATOM 132 N SER A 438 28.914 23.556 2.132 1.00 1.00 N ATOM 133 CA SER A 438 29.299 23.331 3.521 1.00 1.00 C ATOM 134 C SER A 438 30.812 23.180 3.642 1.00 1.00 C ATOM 135 O SER A 438 31.499 22.893 2.661 1.00 1.00 O ATOM 136 CB SER A 438 28.611 22.077 4.059 1.00 1.00 C ATOM 137 OG SER A 438 29.360 20.930 3.681 1.00 1.00 O ATOM 0 H SER A 438 28.505 22.746 1.666 1.00 1.00 H new ATOM 0 HA SER A 438 28.986 24.194 4.108 1.00 1.00 H new ATOM 0 HB2 SER A 438 28.530 22.131 5.145 1.00 1.00 H new ATOM 0 HB3 SER A 438 27.596 22.008 3.666 1.00 1.00 H new ATOM 0 HG SER A 438 29.127 20.180 4.267 1.00 1.00 H new ATOM 143 N VAL A 439 31.325 23.376 4.853 1.00 1.00 N ATOM 144 CA VAL A 439 32.759 23.263 5.094 1.00 1.00 C ATOM 145 C VAL A 439 33.240 21.839 4.829 1.00 1.00 C ATOM 146 O VAL A 439 34.274 21.632 4.191 1.00 1.00 O ATOM 147 CB VAL A 439 33.077 23.652 6.540 1.00 1.00 C ATOM 148 CG1 VAL A 439 34.542 23.333 6.847 1.00 1.00 C ATOM 149 CG2 VAL A 439 32.837 25.151 6.725 1.00 1.00 C ATOM 0 H VAL A 439 30.773 23.612 5.678 1.00 1.00 H new ATOM 0 HA VAL A 439 33.276 23.939 4.413 1.00 1.00 H new ATOM 0 HB VAL A 439 32.433 23.090 7.217 1.00 1.00 H new ATOM 0 HG11 VAL A 439 34.767 23.611 7.877 1.00 1.00 H new ATOM 0 HG12 VAL A 439 34.718 22.266 6.712 1.00 1.00 H new ATOM 0 HG13 VAL A 439 35.186 23.895 6.171 1.00 1.00 H new ATOM 0 HG21 VAL A 439 33.063 25.431 7.754 1.00 1.00 H new ATOM 0 HG22 VAL A 439 33.483 25.709 6.047 1.00 1.00 H new ATOM 0 HG23 VAL A 439 31.795 25.382 6.506 1.00 1.00 H new ATOM 159 N LEU A 440 32.490 20.862 5.328 1.00 1.00 N ATOM 160 CA LEU A 440 32.854 19.463 5.143 1.00 1.00 C ATOM 161 C LEU A 440 31.615 18.607 4.879 1.00 1.00 C ATOM 162 O LEU A 440 31.090 17.969 5.790 1.00 1.00 O ATOM 163 CB LEU A 440 33.564 18.946 6.396 1.00 1.00 C ATOM 164 CG LEU A 440 34.308 17.651 6.064 1.00 1.00 C ATOM 165 CD1 LEU A 440 35.779 17.968 5.786 1.00 1.00 C ATOM 166 CD2 LEU A 440 34.215 16.688 7.250 1.00 1.00 C ATOM 0 H LEU A 440 31.633 21.012 5.860 1.00 1.00 H new ATOM 0 HA LEU A 440 33.518 19.394 4.282 1.00 1.00 H new ATOM 0 HB2 LEU A 440 34.264 19.695 6.765 1.00 1.00 H new ATOM 0 HB3 LEU A 440 32.839 18.768 7.190 1.00 1.00 H new ATOM 0 HG LEU A 440 33.858 17.190 5.184 1.00 1.00 H new ATOM 0 HD11 LEU A 440 36.311 17.047 5.549 1.00 1.00 H new ATOM 0 HD12 LEU A 440 35.850 18.655 4.943 1.00 1.00 H new ATOM 0 HD13 LEU A 440 36.225 18.428 6.668 1.00 1.00 H new ATOM 0 HD21 LEU A 440 34.745 15.766 7.012 1.00 1.00 H new ATOM 0 HD22 LEU A 440 34.665 17.149 8.129 1.00 1.00 H new ATOM 0 HD23 LEU A 440 33.168 16.462 7.454 1.00 1.00 H new ATOM 178 N PRO A 441 31.145 18.578 3.658 1.00 1.00 N ATOM 179 CA PRO A 441 29.945 17.775 3.282 1.00 1.00 C ATOM 180 C PRO A 441 30.154 16.284 3.540 1.00 1.00 C ATOM 181 O PRO A 441 31.255 15.765 3.390 1.00 1.00 O ATOM 182 CB PRO A 441 29.759 18.042 1.786 1.00 1.00 C ATOM 183 CG PRO A 441 30.578 19.252 1.474 1.00 1.00 C ATOM 184 CD PRO A 441 31.695 19.311 2.511 1.00 1.00 C ATOM 0 HA PRO A 441 29.073 18.055 3.874 1.00 1.00 H new ATOM 0 HB2 PRO A 441 30.086 17.187 1.194 1.00 1.00 H new ATOM 0 HB3 PRO A 441 28.709 18.211 1.548 1.00 1.00 H new ATOM 0 HG2 PRO A 441 30.989 19.190 0.467 1.00 1.00 H new ATOM 0 HG3 PRO A 441 29.966 20.153 1.514 1.00 1.00 H new ATOM 0 HD2 PRO A 441 32.610 18.848 2.141 1.00 1.00 H new ATOM 0 HD3 PRO A 441 31.943 20.339 2.774 1.00 1.00 H new ATOM 192 N MET A 442 29.087 15.608 3.938 1.00 1.00 N ATOM 193 CA MET A 442 29.150 14.182 4.236 1.00 1.00 C ATOM 194 C MET A 442 29.468 13.348 2.991 1.00 1.00 C ATOM 195 O MET A 442 30.175 12.342 3.073 1.00 1.00 O ATOM 196 CB MET A 442 27.817 13.718 4.828 1.00 1.00 C ATOM 197 CG MET A 442 27.617 14.367 6.201 1.00 1.00 C ATOM 198 SD MET A 442 26.070 13.775 6.937 1.00 1.00 S ATOM 199 CE MET A 442 24.923 14.681 5.867 1.00 1.00 C ATOM 0 H MET A 442 28.164 16.024 4.063 1.00 1.00 H new ATOM 0 HA MET A 442 29.956 14.033 4.955 1.00 1.00 H new ATOM 0 HB2 MET A 442 26.997 13.989 4.163 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.806 12.632 4.922 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.457 14.127 6.853 1.00 1.00 H new ATOM 0 HG3 MET A 442 27.591 15.452 6.101 1.00 1.00 H new ATOM 0 HE1 MET A 442 24.016 14.918 6.424 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.393 15.604 5.529 1.00 1.00 H new ATOM 0 HE3 MET A 442 24.668 14.066 5.004 1.00 1.00 H new ATOM 209 N TRP A 443 28.913 13.740 1.850 1.00 1.00 N ATOM 210 CA TRP A 443 29.118 12.983 0.619 1.00 1.00 C ATOM 211 C TRP A 443 30.597 12.869 0.233 1.00 1.00 C ATOM 212 O TRP A 443 30.989 11.883 -0.392 1.00 1.00 O ATOM 213 CB TRP A 443 28.302 13.586 -0.531 1.00 1.00 C ATOM 214 CG TRP A 443 28.650 15.024 -0.739 1.00 1.00 C ATOM 215 CD1 TRP A 443 27.991 16.071 -0.190 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.701 15.592 -1.569 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.583 17.245 -0.621 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.643 17.001 -1.471 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.695 15.024 -2.383 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.538 17.820 -2.158 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.599 15.844 -3.078 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.521 17.239 -2.965 1.00 1.00 C ATOM 0 H TRP A 443 28.324 14.567 1.750 1.00 1.00 H new ATOM 0 HA TRP A 443 28.764 11.970 0.811 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.490 13.027 -1.447 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.238 13.494 -0.314 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.143 16.002 0.475 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.274 18.177 -0.344 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.765 13.950 -2.475 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.473 18.894 -2.068 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 32.358 15.397 -3.703 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.220 17.865 -3.501 1.00 1.00 H new ATOM 233 N VAL A 444 31.426 13.852 0.593 1.00 1.00 N ATOM 234 CA VAL A 444 32.846 13.769 0.241 1.00 1.00 C ATOM 235 C VAL A 444 33.488 12.572 0.942 1.00 1.00 C ATOM 236 O VAL A 444 34.312 11.864 0.363 1.00 1.00 O ATOM 237 CB VAL A 444 33.606 15.048 0.626 1.00 1.00 C ATOM 238 CG1 VAL A 444 32.755 16.280 0.325 1.00 1.00 C ATOM 239 CG2 VAL A 444 33.967 15.025 2.113 1.00 1.00 C ATOM 0 H VAL A 444 31.152 14.688 1.110 1.00 1.00 H new ATOM 0 HA VAL A 444 32.908 13.648 -0.841 1.00 1.00 H new ATOM 0 HB VAL A 444 34.522 15.094 0.037 1.00 1.00 H new ATOM 0 HG11 VAL A 444 33.305 17.179 0.602 1.00 1.00 H new ATOM 0 HG12 VAL A 444 32.523 16.311 -0.740 1.00 1.00 H new ATOM 0 HG13 VAL A 444 31.828 16.231 0.897 1.00 1.00 H new ATOM 0 HG21 VAL A 444 34.505 15.937 2.371 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.056 14.961 2.708 1.00 1.00 H new ATOM 0 HG23 VAL A 444 34.598 14.161 2.321 1.00 1.00 H new ATOM 249 N LEU A 445 33.105 12.362 2.196 1.00 1.00 N ATOM 250 CA LEU A 445 33.642 11.262 2.983 1.00 1.00 C ATOM 251 C LEU A 445 33.276 9.922 2.358 1.00 1.00 C ATOM 252 O LEU A 445 34.082 8.992 2.315 1.00 1.00 O ATOM 253 CB LEU A 445 33.095 11.336 4.415 1.00 1.00 C ATOM 254 CG LEU A 445 33.636 10.172 5.261 1.00 1.00 C ATOM 255 CD1 LEU A 445 35.166 10.198 5.272 1.00 1.00 C ATOM 256 CD2 LEU A 445 33.121 10.309 6.694 1.00 1.00 C ATOM 0 H LEU A 445 32.424 12.940 2.688 1.00 1.00 H new ATOM 0 HA LEU A 445 34.728 11.347 3.003 1.00 1.00 H new ATOM 0 HB2 LEU A 445 33.378 12.285 4.870 1.00 1.00 H new ATOM 0 HB3 LEU A 445 32.006 11.304 4.396 1.00 1.00 H new ATOM 0 HG LEU A 445 33.297 9.230 4.831 1.00 1.00 H new ATOM 0 HD11 LEU A 445 35.540 9.370 5.874 1.00 1.00 H new ATOM 0 HD12 LEU A 445 35.539 10.103 4.252 1.00 1.00 H new ATOM 0 HD13 LEU A 445 35.511 11.140 5.698 1.00 1.00 H new ATOM 0 HD21 LEU A 445 33.502 9.485 7.298 1.00 1.00 H new ATOM 0 HD22 LEU A 445 33.462 11.255 7.114 1.00 1.00 H new ATOM 0 HD23 LEU A 445 32.031 10.284 6.693 1.00 1.00 H new ATOM 268 N ALA A 446 32.029 9.831 1.904 1.00 1.00 N ATOM 269 CA ALA A 446 31.517 8.600 1.313 1.00 1.00 C ATOM 270 C ALA A 446 32.284 8.207 0.054 1.00 1.00 C ATOM 271 O ALA A 446 32.553 7.030 -0.186 1.00 1.00 O ATOM 272 CB ALA A 446 30.036 8.771 0.969 1.00 1.00 C ATOM 0 H ALA A 446 31.355 10.596 1.934 1.00 1.00 H new ATOM 0 HA ALA A 446 31.647 7.805 2.047 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.656 7.850 0.528 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.475 8.997 1.876 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.920 9.589 0.258 1.00 1.00 H new ATOM 278 N LEU A 447 32.627 9.212 -0.747 1.00 1.00 N ATOM 279 CA LEU A 447 33.358 8.983 -1.991 1.00 1.00 C ATOM 280 C LEU A 447 34.736 8.389 -1.717 1.00 1.00 C ATOM 281 O LEU A 447 35.189 7.496 -2.431 1.00 1.00 O ATOM 282 CB LEU A 447 33.515 10.297 -2.758 1.00 1.00 C ATOM 283 CG LEU A 447 32.154 10.757 -3.293 1.00 1.00 C ATOM 284 CD1 LEU A 447 32.299 12.155 -3.890 1.00 1.00 C ATOM 285 CD2 LEU A 447 31.650 9.793 -4.378 1.00 1.00 C ATOM 0 H LEU A 447 32.411 10.191 -0.558 1.00 1.00 H new ATOM 0 HA LEU A 447 32.786 8.274 -2.590 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.935 11.061 -2.104 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.214 10.164 -3.584 1.00 1.00 H new ATOM 0 HG LEU A 447 31.436 10.770 -2.473 1.00 1.00 H new ATOM 0 HD11 LEU A 447 31.335 12.489 -4.273 1.00 1.00 H new ATOM 0 HD12 LEU A 447 32.643 12.846 -3.120 1.00 1.00 H new ATOM 0 HD13 LEU A 447 33.023 12.130 -4.704 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.683 10.134 -4.747 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.364 9.767 -5.201 1.00 1.00 H new ATOM 0 HD23 LEU A 447 31.545 8.793 -3.956 1.00 1.00 H new ATOM 297 N ILE A 448 35.399 8.903 -0.685 1.00 1.00 N ATOM 298 CA ILE A 448 36.736 8.442 -0.326 1.00 1.00 C ATOM 299 C ILE A 448 36.711 6.972 0.071 1.00 1.00 C ATOM 300 O ILE A 448 37.585 6.195 -0.314 1.00 1.00 O ATOM 301 CB ILE A 448 37.279 9.278 0.838 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.537 10.710 0.360 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.588 8.666 1.340 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.807 11.612 1.566 1.00 1.00 C ATOM 0 H ILE A 448 35.032 9.639 -0.082 1.00 1.00 H new ATOM 0 HA ILE A 448 37.385 8.558 -1.194 1.00 1.00 H new ATOM 0 HB ILE A 448 36.549 9.290 1.648 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.389 10.729 -0.320 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.676 11.079 -0.197 1.00 1.00 H new ATOM 0 HG21 ILE A 448 38.974 9.261 2.168 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.406 7.646 1.680 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.318 8.654 0.531 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.990 12.631 1.225 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.942 11.602 2.229 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.681 11.247 2.105 1.00 1.00 H new ATOM 316 N VAL A 449 35.703 6.607 0.849 1.00 1.00 N ATOM 317 CA VAL A 449 35.562 5.233 1.309 1.00 1.00 C ATOM 318 C VAL A 449 35.394 4.290 0.121 1.00 1.00 C ATOM 319 O VAL A 449 36.014 3.228 0.075 1.00 1.00 O ATOM 320 CB VAL A 449 34.354 5.110 2.242 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.088 3.635 2.549 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.643 5.860 3.544 1.00 1.00 C ATOM 0 H VAL A 449 34.973 7.240 1.174 1.00 1.00 H new ATOM 0 HA VAL A 449 36.464 4.957 1.855 1.00 1.00 H new ATOM 0 HB VAL A 449 33.476 5.540 1.759 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.228 3.551 3.213 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.883 3.101 1.621 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.963 3.200 3.032 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.785 5.775 4.211 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.521 5.429 4.025 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.829 6.911 3.325 1.00 1.00 H new ATOM 332 N ILE A 450 34.563 4.672 -0.840 1.00 1.00 N ATOM 333 CA ILE A 450 34.333 3.840 -2.016 1.00 1.00 C ATOM 334 C ILE A 450 35.621 3.665 -2.824 1.00 1.00 C ATOM 335 O ILE A 450 35.924 2.559 -3.268 1.00 1.00 O ATOM 336 CB ILE A 450 33.260 4.478 -2.901 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.910 4.417 -2.182 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.165 3.719 -4.228 1.00 1.00 C ATOM 339 CD1 ILE A 450 30.885 5.279 -2.926 1.00 1.00 C ATOM 0 H ILE A 450 34.039 5.547 -0.830 1.00 1.00 H new ATOM 0 HA ILE A 450 33.998 2.859 -1.679 1.00 1.00 H new ATOM 0 HB ILE A 450 33.525 5.517 -3.099 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.562 3.385 -2.130 1.00 1.00 H new ATOM 0 HG13 ILE A 450 32.018 4.769 -1.156 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.400 4.177 -4.855 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.126 3.760 -4.740 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.901 2.679 -4.034 1.00 1.00 H new ATOM 0 HD11 ILE A 450 29.926 5.231 -2.410 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.231 6.312 -2.955 1.00 1.00 H new ATOM 0 HD13 ILE A 450 30.767 4.907 -3.944 1.00 1.00 H new ATOM 351 N PHE A 451 36.374 4.746 -3.017 1.00 1.00 N ATOM 352 CA PHE A 451 37.610 4.611 -3.789 1.00 1.00 C ATOM 353 C PHE A 451 38.556 3.632 -3.106 1.00 1.00 C ATOM 354 O PHE A 451 39.108 2.737 -3.748 1.00 1.00 O ATOM 355 CB PHE A 451 38.319 5.958 -3.960 1.00 1.00 C ATOM 356 CG PHE A 451 37.575 6.820 -4.958 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.476 6.416 -6.297 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.988 8.026 -4.548 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.795 7.214 -7.223 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.307 8.824 -5.478 1.00 1.00 C ATOM 361 CZ PHE A 451 36.210 8.417 -6.813 1.00 1.00 C ATOM 0 H PHE A 451 36.167 5.682 -2.670 1.00 1.00 H new ATOM 0 HA PHE A 451 37.337 4.236 -4.775 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.378 6.470 -3.000 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.342 5.798 -4.299 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.926 5.487 -6.614 1.00 1.00 H new ATOM 0 HD2 PHE A 451 37.061 8.340 -3.517 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.721 6.901 -8.254 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.857 9.754 -5.164 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.683 9.032 -7.528 1.00 1.00 H new ATOM 371 N LEU A 452 38.719 3.791 -1.798 1.00 1.00 N ATOM 372 CA LEU A 452 39.576 2.910 -1.010 1.00 1.00 C ATOM 373 C LEU A 452 39.016 1.489 -1.002 1.00 1.00 C ATOM 374 O LEU A 452 39.770 0.519 -1.069 1.00 1.00 O ATOM 375 CB LEU A 452 39.690 3.422 0.433 1.00 1.00 C ATOM 376 CG LEU A 452 40.484 4.736 0.460 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.396 5.356 1.859 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.956 4.484 0.102 1.00 1.00 C ATOM 0 H LEU A 452 38.266 4.527 -1.256 1.00 1.00 H new ATOM 0 HA LEU A 452 40.566 2.903 -1.466 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.696 3.579 0.852 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.184 2.676 1.055 1.00 1.00 H new ATOM 0 HG LEU A 452 40.058 5.419 -0.275 1.00 1.00 H new ATOM 0 HD11 LEU A 452 40.959 6.289 1.880 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.353 5.557 2.103 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.813 4.664 2.591 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.503 5.427 0.126 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.393 3.793 0.823 1.00 1.00 H new ATOM 0 HD23 LEU A 452 42.019 4.054 -0.898 1.00 1.00 H new ATOM 390 N THR A 453 37.693 1.378 -0.902 1.00 1.00 N ATOM 391 CA THR A 453 37.049 0.065 -0.865 1.00 1.00 C ATOM 392 C THR A 453 37.307 -0.723 -2.158 1.00 1.00 C ATOM 393 O THR A 453 37.636 -1.908 -2.116 1.00 1.00 O ATOM 394 CB THR A 453 35.540 0.217 -0.638 1.00 1.00 C ATOM 395 OG1 THR A 453 35.311 0.830 0.623 1.00 1.00 O ATOM 396 CG2 THR A 453 34.880 -1.163 -0.657 1.00 1.00 C ATOM 0 H THR A 453 37.052 2.170 -0.846 1.00 1.00 H new ATOM 0 HA THR A 453 37.483 -0.493 -0.035 1.00 1.00 H new ATOM 0 HB THR A 453 35.115 0.836 -1.428 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.703 1.728 0.626 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.807 -1.056 -0.496 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.056 -1.637 -1.623 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.306 -1.781 0.134 1.00 1.00 H new ATOM 404 N ILE A 454 37.150 -0.054 -3.298 1.00 1.00 N ATOM 405 CA ILE A 454 37.365 -0.668 -4.610 1.00 1.00 C ATOM 406 C ILE A 454 38.838 -1.032 -4.798 1.00 1.00 C ATOM 407 O ILE A 454 39.194 -2.049 -5.404 1.00 1.00 O ATOM 408 CB ILE A 454 36.931 0.286 -5.707 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.421 0.459 -5.602 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.309 -0.295 -7.080 1.00 1.00 C ATOM 411 CD1 ILE A 454 34.961 1.606 -6.498 1.00 1.00 C ATOM 0 H ILE A 454 36.871 0.926 -3.341 1.00 1.00 H new ATOM 0 HA ILE A 454 36.769 -1.579 -4.666 1.00 1.00 H new ATOM 0 HB ILE A 454 37.427 1.250 -5.598 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.920 -0.464 -5.894 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.141 0.660 -4.568 1.00 1.00 H new ATOM 0 HG21 ILE A 454 36.996 0.393 -7.865 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.389 -0.436 -7.131 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.811 -1.255 -7.219 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.880 1.721 -6.416 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.449 2.529 -6.186 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.225 1.388 -7.533 1.00 1.00 H new ATOM 423 N ALA A 455 39.687 -0.130 -4.346 1.00 1.00 N ATOM 424 CA ALA A 455 41.127 -0.336 -4.518 1.00 1.00 C ATOM 425 C ALA A 455 41.577 -1.573 -3.771 1.00 1.00 C ATOM 426 O ALA A 455 42.344 -2.380 -4.295 1.00 1.00 O ATOM 427 CB ALA A 455 41.936 0.861 -4.014 1.00 1.00 C ATOM 0 H ALA A 455 39.424 0.732 -3.869 1.00 1.00 H new ATOM 0 HA ALA A 455 41.305 -0.456 -5.587 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.999 0.669 -4.159 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.649 1.754 -4.570 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.737 1.014 -2.953 1.00 1.00 H new ATOM 433 N VAL A 456 41.102 -1.719 -2.547 1.00 1.00 N ATOM 434 CA VAL A 456 41.482 -2.862 -1.743 1.00 1.00 C ATOM 435 C VAL A 456 40.984 -4.168 -2.360 1.00 1.00 C ATOM 436 O VAL A 456 41.731 -5.145 -2.421 1.00 1.00 O ATOM 437 CB VAL A 456 40.937 -2.721 -0.326 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.189 -4.029 0.415 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.659 -1.575 0.400 1.00 1.00 C ATOM 0 H VAL A 456 40.460 -1.068 -2.094 1.00 1.00 H new ATOM 0 HA VAL A 456 42.571 -2.893 -1.709 1.00 1.00 H new ATOM 0 HB VAL A 456 39.870 -2.501 -0.357 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.806 -3.950 1.433 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.681 -4.843 -0.102 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.260 -4.230 0.445 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.265 -1.480 1.412 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.727 -1.789 0.445 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.498 -0.643 -0.141 1.00 1.00 H new ATOM 449 N LEU A 457 39.735 -4.206 -2.815 1.00 1.00 N ATOM 450 CA LEU A 457 39.215 -5.438 -3.407 1.00 1.00 C ATOM 451 C LEU A 457 39.992 -5.810 -4.671 1.00 1.00 C ATOM 452 O LEU A 457 40.338 -6.973 -4.887 1.00 1.00 O ATOM 453 CB LEU A 457 37.735 -5.266 -3.750 1.00 1.00 C ATOM 454 CG LEU A 457 36.925 -5.154 -2.453 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.489 -4.742 -2.776 1.00 1.00 C ATOM 456 CD2 LEU A 457 36.918 -6.495 -1.706 1.00 1.00 C ATOM 0 H LEU A 457 39.080 -3.425 -2.788 1.00 1.00 H new ATOM 0 HA LEU A 457 39.333 -6.240 -2.679 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.592 -4.374 -4.360 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.385 -6.114 -4.339 1.00 1.00 H new ATOM 0 HG LEU A 457 37.388 -4.400 -1.817 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.916 -4.663 -1.852 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.493 -3.777 -3.284 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.032 -5.491 -3.423 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.339 -6.397 -0.788 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.469 -7.261 -2.338 1.00 1.00 H new ATOM 0 HD23 LEU A 457 37.941 -6.780 -1.461 1.00 1.00 H new ATOM 468 N LEU A 458 40.267 -4.804 -5.499 1.00 1.00 N ATOM 469 CA LEU A 458 41.007 -5.012 -6.739 1.00 1.00 C ATOM 470 C LEU A 458 42.428 -5.482 -6.461 1.00 1.00 C ATOM 471 O LEU A 458 42.958 -6.340 -7.171 1.00 1.00 O ATOM 472 CB LEU A 458 41.044 -3.721 -7.562 1.00 1.00 C ATOM 473 CG LEU A 458 39.644 -3.411 -8.104 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.644 -2.024 -8.751 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.229 -4.462 -9.144 1.00 1.00 C ATOM 0 H LEU A 458 39.988 -3.837 -5.332 1.00 1.00 H new ATOM 0 HA LEU A 458 40.491 -5.787 -7.306 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.396 -2.895 -6.944 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.749 -3.825 -8.387 1.00 1.00 H new ATOM 0 HG LEU A 458 38.933 -3.433 -7.278 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.649 -1.802 -9.137 1.00 1.00 H new ATOM 0 HD12 LEU A 458 39.920 -1.276 -8.008 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.363 -2.004 -9.570 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.233 -4.229 -9.520 1.00 1.00 H new ATOM 0 HD22 LEU A 458 39.939 -4.456 -9.971 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.220 -5.449 -8.681 1.00 1.00 H new ATOM 487 N ALA A 459 43.058 -4.899 -5.450 1.00 1.00 N ATOM 488 CA ALA A 459 44.430 -5.252 -5.117 1.00 1.00 C ATOM 489 C ALA A 459 44.554 -6.724 -4.742 1.00 1.00 C ATOM 490 O ALA A 459 45.502 -7.405 -5.131 1.00 1.00 O ATOM 491 CB ALA A 459 44.913 -4.392 -3.951 1.00 1.00 C ATOM 0 H ALA A 459 42.644 -4.185 -4.851 1.00 1.00 H new ATOM 0 HA ALA A 459 45.045 -5.071 -5.998 1.00 1.00 H new ATOM 0 HB1 ALA A 459 45.941 -4.658 -3.704 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.868 -3.340 -4.232 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.275 -4.563 -3.084 1.00 1.00 H new ATOM 497 N LEU A 460 43.595 -7.198 -3.955 1.00 1.00 N ATOM 498 CA LEU A 460 43.628 -8.584 -3.504 1.00 1.00 C ATOM 499 C LEU A 460 43.550 -9.543 -4.687 1.00 1.00 C ATOM 500 O LEU A 460 44.300 -10.516 -4.748 1.00 1.00 O ATOM 501 CB LEU A 460 42.456 -8.854 -2.554 1.00 1.00 C ATOM 502 CG LEU A 460 42.673 -8.093 -1.240 1.00 1.00 C ATOM 503 CD1 LEU A 460 41.408 -8.177 -0.384 1.00 1.00 C ATOM 504 CD2 LEU A 460 43.853 -8.693 -0.465 1.00 1.00 C ATOM 0 H LEU A 460 42.799 -6.655 -3.621 1.00 1.00 H new ATOM 0 HA LEU A 460 44.570 -8.748 -2.981 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.520 -8.541 -3.017 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.373 -9.923 -2.357 1.00 1.00 H new ATOM 0 HG LEU A 460 42.893 -7.051 -1.470 1.00 1.00 H new ATOM 0 HD11 LEU A 460 41.564 -7.636 0.549 1.00 1.00 H new ATOM 0 HD12 LEU A 460 40.572 -7.734 -0.925 1.00 1.00 H new ATOM 0 HD13 LEU A 460 41.185 -9.221 -0.165 1.00 1.00 H new ATOM 0 HD21 LEU A 460 43.995 -8.143 0.465 1.00 1.00 H new ATOM 0 HD22 LEU A 460 43.646 -9.739 -0.240 1.00 1.00 H new ATOM 0 HD23 LEU A 460 44.758 -8.624 -1.069 1.00 1.00 H new ATOM 516 N ARG A 461 42.664 -9.261 -5.635 1.00 1.00 N ATOM 517 CA ARG A 461 42.533 -10.111 -6.814 1.00 1.00 C ATOM 518 C ARG A 461 43.824 -10.056 -7.640 1.00 1.00 C ATOM 519 O ARG A 461 44.364 -11.085 -8.046 1.00 1.00 O ATOM 520 CB ARG A 461 41.346 -9.611 -7.658 1.00 1.00 C ATOM 521 CG ARG A 461 40.653 -10.763 -8.407 1.00 1.00 C ATOM 522 CD ARG A 461 41.529 -11.269 -9.555 1.00 1.00 C ATOM 523 NE ARG A 461 40.833 -12.326 -10.285 1.00 1.00 N ATOM 524 CZ ARG A 461 41.035 -13.615 -10.015 1.00 1.00 C ATOM 525 NH1 ARG A 461 41.838 -13.974 -9.049 1.00 1.00 N ATOM 526 NH2 ARG A 461 40.415 -14.528 -10.711 1.00 1.00 N ATOM 0 H ARG A 461 42.032 -8.461 -5.613 1.00 1.00 H new ATOM 0 HA ARG A 461 42.357 -11.143 -6.509 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.625 -9.112 -7.011 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.697 -8.870 -8.376 1.00 1.00 H new ATOM 0 HG2 ARG A 461 40.445 -11.579 -7.715 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.694 -10.424 -8.798 1.00 1.00 H new ATOM 0 HD2 ARG A 461 41.769 -10.447 -10.230 1.00 1.00 H new ATOM 0 HD3 ARG A 461 42.473 -11.647 -9.164 1.00 1.00 H new ATOM 0 HE ARG A 461 40.175 -12.070 -11.021 1.00 1.00 H new ATOM 0 HH11 ARG A 461 42.317 -13.265 -8.494 1.00 1.00 H new ATOM 0 HH12 ARG A 461 41.986 -14.963 -8.850 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.778 -14.254 -11.459 1.00 1.00 H new ATOM 0 HH22 ARG A 461 40.567 -15.516 -10.507 1.00 1.00 H new ATOM 540 N PHE A 462 44.316 -8.836 -7.860 1.00 1.00 N ATOM 541 CA PHE A 462 45.543 -8.603 -8.621 1.00 1.00 C ATOM 542 C PHE A 462 46.741 -9.245 -7.944 1.00 1.00 C ATOM 543 O PHE A 462 47.548 -9.902 -8.590 1.00 1.00 O ATOM 544 CB PHE A 462 45.782 -7.097 -8.768 1.00 1.00 C ATOM 545 CG PHE A 462 47.044 -6.860 -9.562 1.00 1.00 C ATOM 546 CD1 PHE A 462 47.050 -7.068 -10.947 1.00 1.00 C ATOM 547 CD2 PHE A 462 48.210 -6.431 -8.914 1.00 1.00 C ATOM 548 CE1 PHE A 462 48.220 -6.848 -11.683 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.381 -6.212 -9.651 1.00 1.00 C ATOM 550 CZ PHE A 462 49.385 -6.420 -11.035 1.00 1.00 C ATOM 0 H PHE A 462 43.875 -7.983 -7.516 1.00 1.00 H new ATOM 0 HA PHE A 462 45.423 -9.056 -9.605 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.933 -6.631 -9.268 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.867 -6.634 -7.785 1.00 1.00 H new ATOM 0 HD1 PHE A 462 46.152 -7.398 -11.447 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.206 -6.269 -7.846 1.00 1.00 H new ATOM 0 HE1 PHE A 462 48.224 -7.008 -12.751 1.00 1.00 H new ATOM 0 HE2 PHE A 462 50.280 -5.883 -9.151 1.00 1.00 H new ATOM 0 HZ PHE A 462 50.287 -6.250 -11.604 1.00 1.00 H new ATOM 560 N CYS A 463 46.849 -9.062 -6.639 1.00 1.00 N ATOM 561 CA CYS A 463 47.941 -9.634 -5.875 1.00 1.00 C ATOM 562 C CYS A 463 47.669 -11.103 -5.595 1.00 1.00 C ATOM 563 O CYS A 463 48.581 -11.865 -5.282 1.00 1.00 O ATOM 564 CB CYS A 463 48.106 -8.871 -4.560 1.00 1.00 C ATOM 565 SG CYS A 463 47.108 -9.661 -3.276 1.00 1.00 S ATOM 0 H CYS A 463 46.188 -8.518 -6.085 1.00 1.00 H new ATOM 0 HA CYS A 463 48.862 -9.552 -6.453 1.00 1.00 H new ATOM 0 HB2 CYS A 463 49.155 -8.858 -4.264 1.00 1.00 H new ATOM 0 HB3 CYS A 463 47.798 -7.833 -4.688 1.00 1.00 H new ATOM 0 HG CYS A 463 45.985 -10.069 -3.789 1.00 1.00 H new ATOM 571 N GLY A 464 46.403 -11.490 -5.704 1.00 1.00 N ATOM 572 CA GLY A 464 46.029 -12.874 -5.448 1.00 1.00 C ATOM 573 C GLY A 464 46.656 -13.821 -6.467 1.00 1.00 C ATOM 574 O GLY A 464 47.260 -14.827 -6.095 1.00 1.00 O ATOM 0 H GLY A 464 45.631 -10.876 -5.963 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.345 -13.157 -4.444 1.00 1.00 H new ATOM 0 HA3 GLY A 464 44.944 -12.970 -5.480 1.00 1.00 H new ATOM 578 N ILE A 465 46.506 -13.505 -7.750 1.00 1.00 N ATOM 579 CA ILE A 465 47.065 -14.352 -8.802 1.00 1.00 C ATOM 580 C ILE A 465 48.592 -14.328 -8.768 1.00 1.00 C ATOM 581 O ILE A 465 49.238 -15.362 -8.934 1.00 1.00 O ATOM 582 CB ILE A 465 46.570 -13.891 -10.176 1.00 1.00 C ATOM 583 CG1 ILE A 465 46.946 -14.931 -11.235 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.217 -12.555 -10.532 1.00 1.00 C ATOM 585 CD1 ILE A 465 46.221 -14.610 -12.543 1.00 1.00 C ATOM 0 H ILE A 465 46.009 -12.680 -8.085 1.00 1.00 H new ATOM 0 HA ILE A 465 46.730 -15.374 -8.625 1.00 1.00 H new ATOM 0 HB ILE A 465 45.486 -13.776 -10.146 1.00 1.00 H new ATOM 0 HG12 ILE A 465 48.024 -14.930 -11.394 1.00 1.00 H new ATOM 0 HG13 ILE A 465 46.675 -15.930 -10.892 1.00 1.00 H new ATOM 0 HG21 ILE A 465 46.863 -12.229 -11.510 1.00 1.00 H new ATOM 0 HG22 ILE A 465 46.950 -11.810 -9.782 1.00 1.00 H new ATOM 0 HG23 ILE A 465 48.301 -12.671 -10.558 1.00 1.00 H new ATOM 0 HD11 ILE A 465 46.488 -15.350 -13.298 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.144 -14.633 -12.377 1.00 1.00 H new ATOM 0 HD13 ILE A 465 46.514 -13.618 -12.887 1.00 1.00 H new ATOM 597 N TYR A 466 49.165 -13.149 -8.553 1.00 1.00 N ATOM 598 CA TYR A 466 50.621 -13.036 -8.505 1.00 1.00 C ATOM 599 C TYR A 466 51.175 -13.561 -7.183 1.00 1.00 C ATOM 600 O TYR A 466 52.349 -13.918 -7.091 1.00 1.00 O ATOM 601 CB TYR A 466 51.052 -11.583 -8.713 1.00 1.00 C ATOM 602 CG TYR A 466 51.081 -11.273 -10.194 1.00 1.00 C ATOM 603 CD1 TYR A 466 52.174 -11.681 -10.968 1.00 1.00 C ATOM 604 CD2 TYR A 466 50.024 -10.579 -10.791 1.00 1.00 C ATOM 605 CE1 TYR A 466 52.209 -11.395 -12.339 1.00 1.00 C ATOM 606 CE2 TYR A 466 50.059 -10.291 -12.160 1.00 1.00 C ATOM 607 CZ TYR A 466 51.151 -10.699 -12.935 1.00 1.00 C ATOM 608 OH TYR A 466 51.186 -10.414 -14.285 1.00 1.00 O ATOM 0 H TYR A 466 48.659 -12.275 -8.412 1.00 1.00 H new ATOM 0 HA TYR A 466 51.028 -13.647 -9.311 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.362 -10.911 -8.203 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.037 -11.419 -8.277 1.00 1.00 H new ATOM 0 HD1 TYR A 466 52.991 -12.217 -10.508 1.00 1.00 H new ATOM 0 HD2 TYR A 466 49.180 -10.265 -10.195 1.00 1.00 H new ATOM 0 HE1 TYR A 466 53.052 -11.711 -12.936 1.00 1.00 H new ATOM 0 HE2 TYR A 466 49.243 -9.753 -12.619 1.00 1.00 H new ATOM 0 HH TYR A 466 50.374 -9.927 -14.538 1.00 1.00 H new ATOM 618 N GLY A 467 50.323 -13.610 -6.164 1.00 1.00 N ATOM 619 CA GLY A 467 50.739 -14.100 -4.853 1.00 1.00 C ATOM 620 C GLY A 467 51.515 -13.032 -4.091 1.00 1.00 C ATOM 621 O GLY A 467 52.147 -13.322 -3.075 1.00 1.00 O ATOM 0 H GLY A 467 49.347 -13.319 -6.219 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.863 -14.398 -4.277 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.359 -14.989 -4.973 1.00 1.00 H new ATOM 625 N TYR A 468 51.475 -11.803 -4.590 1.00 1.00 N ATOM 626 CA TYR A 468 52.191 -10.707 -3.947 1.00 1.00 C ATOM 627 C TYR A 468 51.508 -10.294 -2.647 1.00 1.00 C ATOM 628 O TYR A 468 50.293 -10.100 -2.609 1.00 1.00 O ATOM 629 CB TYR A 468 52.271 -9.507 -4.895 1.00 1.00 C ATOM 630 CG TYR A 468 53.008 -8.377 -4.217 1.00 1.00 C ATOM 631 CD1 TYR A 468 54.405 -8.406 -4.125 1.00 1.00 C ATOM 632 CD2 TYR A 468 52.294 -7.299 -3.680 1.00 1.00 C ATOM 633 CE1 TYR A 468 55.087 -7.357 -3.495 1.00 1.00 C ATOM 634 CE2 TYR A 468 52.976 -6.251 -3.051 1.00 1.00 C ATOM 635 CZ TYR A 468 54.372 -6.279 -2.959 1.00 1.00 C ATOM 636 OH TYR A 468 55.043 -5.246 -2.338 1.00 1.00 O ATOM 0 H TYR A 468 50.960 -11.541 -5.430 1.00 1.00 H new ATOM 0 HA TYR A 468 53.198 -11.051 -3.711 1.00 1.00 H new ATOM 0 HB2 TYR A 468 52.784 -9.790 -5.814 1.00 1.00 H new ATOM 0 HB3 TYR A 468 51.268 -9.185 -5.176 1.00 1.00 H new ATOM 0 HD1 TYR A 468 54.956 -9.237 -4.540 1.00 1.00 H new ATOM 0 HD2 TYR A 468 51.217 -7.276 -3.751 1.00 1.00 H new ATOM 0 HE1 TYR A 468 56.164 -7.380 -3.423 1.00 1.00 H new ATOM 0 HE2 TYR A 468 52.424 -5.420 -2.636 1.00 1.00 H new ATOM 0 HH TYR A 468 54.398 -4.579 -2.024 1.00 1.00 H new ATOM 646 N ARG A 469 52.307 -10.157 -1.590 1.00 1.00 N ATOM 647 CA ARG A 469 51.794 -9.760 -0.280 1.00 1.00 C ATOM 648 C ARG A 469 50.410 -10.354 -0.031 1.00 1.00 C ATOM 649 O ARG A 469 49.396 -9.674 -0.186 1.00 1.00 O ATOM 650 CB ARG A 469 51.727 -8.232 -0.198 1.00 1.00 C ATOM 651 CG ARG A 469 51.285 -7.801 1.204 1.00 1.00 C ATOM 652 CD ARG A 469 51.219 -6.274 1.270 1.00 1.00 C ATOM 653 NE ARG A 469 50.950 -5.839 2.635 1.00 1.00 N ATOM 654 CZ ARG A 469 49.705 -5.720 3.088 1.00 1.00 C ATOM 655 NH1 ARG A 469 48.696 -6.002 2.311 1.00 1.00 N ATOM 656 NH2 ARG A 469 49.493 -5.322 4.313 1.00 1.00 N ATOM 0 H ARG A 469 53.314 -10.315 -1.616 1.00 1.00 H new ATOM 0 HA ARG A 469 52.470 -10.140 0.486 1.00 1.00 H new ATOM 0 HB2 ARG A 469 52.703 -7.804 -0.428 1.00 1.00 H new ATOM 0 HB3 ARG A 469 51.028 -7.850 -0.942 1.00 1.00 H new ATOM 0 HG2 ARG A 469 50.310 -8.228 1.437 1.00 1.00 H new ATOM 0 HG3 ARG A 469 51.985 -8.178 1.950 1.00 1.00 H new ATOM 0 HD2 ARG A 469 52.160 -5.847 0.924 1.00 1.00 H new ATOM 0 HD3 ARG A 469 50.438 -5.908 0.604 1.00 1.00 H new ATOM 0 HE ARG A 469 51.731 -5.622 3.254 1.00 1.00 H new ATOM 0 HH11 ARG A 469 48.861 -6.314 1.354 1.00 1.00 H new ATOM 0 HH12 ARG A 469 47.742 -5.910 2.660 1.00 1.00 H new ATOM 0 HH21 ARG A 469 50.282 -5.103 4.922 1.00 1.00 H new ATOM 0 HH22 ARG A 469 48.539 -5.230 4.662 1.00 1.00 H new ATOM 670 N LEU A 470 50.381 -11.627 0.358 1.00 1.00 N ATOM 671 CA LEU A 470 49.120 -12.311 0.632 1.00 1.00 C ATOM 672 C LEU A 470 49.007 -12.643 2.116 1.00 1.00 C ATOM 673 O LEU A 470 49.893 -13.276 2.689 1.00 1.00 O ATOM 674 CB LEU A 470 49.043 -13.604 -0.190 1.00 1.00 C ATOM 675 CG LEU A 470 47.656 -14.245 -0.044 1.00 1.00 C ATOM 676 CD1 LEU A 470 46.578 -13.310 -0.597 1.00 1.00 C ATOM 677 CD2 LEU A 470 47.623 -15.565 -0.818 1.00 1.00 C ATOM 0 H LEU A 470 51.212 -12.203 0.490 1.00 1.00 H new ATOM 0 HA LEU A 470 48.298 -11.652 0.354 1.00 1.00 H new ATOM 0 HB2 LEU A 470 49.243 -13.388 -1.240 1.00 1.00 H new ATOM 0 HB3 LEU A 470 49.811 -14.302 0.144 1.00 1.00 H new ATOM 0 HG LEU A 470 47.461 -14.427 1.013 1.00 1.00 H new ATOM 0 HD11 LEU A 470 45.600 -13.777 -0.487 1.00 1.00 H new ATOM 0 HD12 LEU A 470 46.595 -12.369 -0.046 1.00 1.00 H new ATOM 0 HD13 LEU A 470 46.771 -13.116 -1.652 1.00 1.00 H new ATOM 0 HD21 LEU A 470 46.639 -16.022 -0.716 1.00 1.00 H new ATOM 0 HD22 LEU A 470 47.827 -15.374 -1.872 1.00 1.00 H new ATOM 0 HD23 LEU A 470 48.380 -16.240 -0.419 1.00 1.00 H new ATOM 689 N ARG A 471 47.911 -12.212 2.732 1.00 1.00 N ATOM 690 CA ARG A 471 47.695 -12.472 4.151 1.00 1.00 C ATOM 691 C ARG A 471 47.032 -13.831 4.350 1.00 1.00 C ATOM 692 O ARG A 471 46.161 -14.225 3.575 1.00 1.00 O ATOM 693 CB ARG A 471 46.816 -11.380 4.760 1.00 1.00 C ATOM 694 CG ARG A 471 47.553 -10.040 4.701 1.00 1.00 C ATOM 695 CD ARG A 471 46.677 -8.950 5.316 1.00 1.00 C ATOM 696 NE ARG A 471 45.488 -8.739 4.499 1.00 1.00 N ATOM 697 CZ ARG A 471 45.518 -7.949 3.431 1.00 1.00 C ATOM 698 NH1 ARG A 471 46.627 -7.352 3.094 1.00 1.00 N ATOM 699 NH2 ARG A 471 44.439 -7.773 2.720 1.00 1.00 N ATOM 0 H ARG A 471 47.165 -11.686 2.276 1.00 1.00 H new ATOM 0 HA ARG A 471 48.664 -12.474 4.650 1.00 1.00 H new ATOM 0 HB2 ARG A 471 45.873 -11.313 4.218 1.00 1.00 H new ATOM 0 HB3 ARG A 471 46.573 -11.628 5.793 1.00 1.00 H new ATOM 0 HG2 ARG A 471 48.498 -10.109 5.239 1.00 1.00 H new ATOM 0 HG3 ARG A 471 47.792 -9.789 3.667 1.00 1.00 H new ATOM 0 HD2 ARG A 471 46.386 -9.234 6.327 1.00 1.00 H new ATOM 0 HD3 ARG A 471 47.242 -8.021 5.396 1.00 1.00 H new ATOM 0 HE ARG A 471 44.617 -9.206 4.752 1.00 1.00 H new ATOM 0 HH11 ARG A 471 47.471 -7.492 3.650 1.00 1.00 H new ATOM 0 HH12 ARG A 471 46.651 -6.745 2.274 1.00 1.00 H new ATOM 0 HH21 ARG A 471 43.572 -8.242 2.984 1.00 1.00 H new ATOM 0 HH22 ARG A 471 44.462 -7.167 1.900 1.00 1.00 H new ATOM 713 N ARG A 472 47.453 -14.540 5.394 1.00 1.00 N ATOM 714 CA ARG A 472 46.897 -15.857 5.694 1.00 1.00 C ATOM 715 C ARG A 472 46.464 -15.937 7.155 1.00 1.00 C ATOM 716 O ARG A 472 47.089 -15.340 8.032 1.00 1.00 O ATOM 717 CB ARG A 472 47.938 -16.940 5.408 1.00 1.00 C ATOM 718 CG ARG A 472 48.182 -17.027 3.900 1.00 1.00 C ATOM 719 CD ARG A 472 49.259 -18.076 3.617 1.00 1.00 C ATOM 720 NE ARG A 472 49.500 -18.177 2.183 1.00 1.00 N ATOM 721 CZ ARG A 472 50.468 -18.951 1.702 1.00 1.00 C ATOM 722 NH1 ARG A 472 51.221 -19.635 2.518 1.00 1.00 N ATOM 723 NH2 ARG A 472 50.666 -19.024 0.414 1.00 1.00 N ATOM 0 H ARG A 472 48.174 -14.227 6.044 1.00 1.00 H new ATOM 0 HA ARG A 472 46.025 -16.015 5.060 1.00 1.00 H new ATOM 0 HB2 ARG A 472 48.869 -16.710 5.925 1.00 1.00 H new ATOM 0 HB3 ARG A 472 47.592 -17.901 5.787 1.00 1.00 H new ATOM 0 HG2 ARG A 472 47.258 -17.291 3.386 1.00 1.00 H new ATOM 0 HG3 ARG A 472 48.495 -16.056 3.515 1.00 1.00 H new ATOM 0 HD2 ARG A 472 50.182 -17.807 4.130 1.00 1.00 H new ATOM 0 HD3 ARG A 472 48.946 -19.044 4.009 1.00 1.00 H new ATOM 0 HE ARG A 472 48.916 -17.645 1.538 1.00 1.00 H new ATOM 0 HH11 ARG A 472 51.067 -19.576 3.525 1.00 1.00 H new ATOM 0 HH12 ARG A 472 51.964 -20.229 2.150 1.00 1.00 H new ATOM 0 HH21 ARG A 472 50.078 -18.487 -0.224 1.00 1.00 H new ATOM 0 HH22 ARG A 472 51.409 -19.618 0.045 1.00 1.00 H new ATOM 737 N LYS A 473 45.393 -16.679 7.408 1.00 1.00 N ATOM 738 CA LYS A 473 44.885 -16.832 8.766 1.00 1.00 C ATOM 739 C LYS A 473 44.806 -15.477 9.463 1.00 1.00 C ATOM 740 O LYS A 473 44.610 -15.463 10.667 1.00 1.00 O ATOM 741 CB LYS A 473 45.795 -17.766 9.564 1.00 1.00 C ATOM 742 CG LYS A 473 45.698 -19.184 8.993 1.00 1.00 C ATOM 743 CD LYS A 473 46.620 -20.116 9.781 1.00 1.00 C ATOM 744 CE LYS A 473 46.520 -21.533 9.215 1.00 1.00 C ATOM 745 NZ LYS A 473 47.425 -22.439 9.978 1.00 1.00 N ATOM 746 OXT LYS A 473 44.942 -14.474 8.781 1.00 1.00 O ATOM 0 H LYS A 473 44.862 -17.181 6.696 1.00 1.00 H new ATOM 0 HA LYS A 473 43.884 -17.261 8.713 1.00 1.00 H new ATOM 0 HB2 LYS A 473 46.825 -17.414 9.518 1.00 1.00 H new ATOM 0 HB3 LYS A 473 45.504 -17.765 10.614 1.00 1.00 H new ATOM 0 HG2 LYS A 473 44.669 -19.540 9.049 1.00 1.00 H new ATOM 0 HG3 LYS A 473 45.978 -19.183 7.940 1.00 1.00 H new ATOM 0 HD2 LYS A 473 47.649 -19.762 9.722 1.00 1.00 H new ATOM 0 HD3 LYS A 473 46.342 -20.114 10.835 1.00 1.00 H new ATOM 0 HE2 LYS A 473 45.492 -21.890 9.280 1.00 1.00 H new ATOM 0 HE3 LYS A 473 46.792 -21.534 8.160 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 47.357 -23.403 9.593 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 48.405 -22.101 9.895 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 47.145 -22.446 10.980 1.00 1.00 H new TER 760 LYS A 473