USER MOD reduce.3.24.130724 H: found=0, std=0, add=391, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 394 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 431 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 433 SER OG : rot 180:sc= 0 USER MOD Single : A 436 THR OG1 : rot 180:sc= 0 USER MOD Single : A 438 SER OG : rot -86:sc= 1.2 USER MOD Single : A 442 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 453 THR OG1 : rot 83:sc= 1.28 USER MOD Single : A 463 CYS SG : rot 80:sc= 0.134 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+ -162:sc= -0.0147 (180deg=-0.34) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 430 4.359 -1.709 -9.465 1.00 1.00 N ATOM 2 CA GLY A 430 5.585 -1.153 -10.105 1.00 1.00 C ATOM 3 C GLY A 430 6.492 -0.559 -9.032 1.00 1.00 C ATOM 4 O GLY A 430 7.290 -1.267 -8.415 1.00 1.00 O ATOM 0 HA2 GLY A 430 6.112 -1.937 -10.649 1.00 1.00 H new ATOM 0 HA3 GLY A 430 5.314 -0.388 -10.832 1.00 1.00 H new ATOM 10 N LYS A 431 6.365 0.747 -8.815 1.00 1.00 N ATOM 11 CA LYS A 431 7.178 1.429 -7.814 1.00 1.00 C ATOM 12 C LYS A 431 6.886 0.876 -6.424 1.00 1.00 C ATOM 13 O LYS A 431 7.802 0.620 -5.645 1.00 1.00 O ATOM 14 CB LYS A 431 6.885 2.932 -7.843 1.00 1.00 C ATOM 15 CG LYS A 431 7.824 3.657 -6.873 1.00 1.00 C ATOM 16 CD LYS A 431 7.570 5.163 -6.944 1.00 1.00 C ATOM 17 CE LYS A 431 8.520 5.886 -5.988 1.00 1.00 C ATOM 18 NZ LYS A 431 8.283 7.356 -6.072 1.00 1.00 N ATOM 0 H LYS A 431 5.712 1.350 -9.315 1.00 1.00 H new ATOM 0 HA LYS A 431 8.230 1.260 -8.045 1.00 1.00 H new ATOM 0 HB2 LYS A 431 7.019 3.320 -8.853 1.00 1.00 H new ATOM 0 HB3 LYS A 431 5.847 3.116 -7.566 1.00 1.00 H new ATOM 0 HG2 LYS A 431 7.662 3.298 -5.857 1.00 1.00 H new ATOM 0 HG3 LYS A 431 8.862 3.441 -7.125 1.00 1.00 H new ATOM 0 HD2 LYS A 431 7.721 5.520 -7.963 1.00 1.00 H new ATOM 0 HD3 LYS A 431 6.535 5.381 -6.679 1.00 1.00 H new ATOM 0 HE2 LYS A 431 8.360 5.539 -4.967 1.00 1.00 H new ATOM 0 HE3 LYS A 431 9.555 5.658 -6.244 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 8.928 7.849 -5.422 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 8.456 7.681 -7.045 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 7.299 7.565 -5.807 1.00 1.00 H new ATOM 32 N ARG A 432 5.608 0.691 -6.120 1.00 1.00 N ATOM 33 CA ARG A 432 5.210 0.163 -4.820 1.00 1.00 C ATOM 34 C ARG A 432 5.703 -1.272 -4.642 1.00 1.00 C ATOM 35 O ARG A 432 6.111 -1.669 -3.549 1.00 1.00 O ATOM 36 CB ARG A 432 3.686 0.200 -4.690 1.00 1.00 C ATOM 37 CG ARG A 432 3.222 1.651 -4.549 1.00 1.00 C ATOM 38 CD ARG A 432 1.694 1.693 -4.479 1.00 1.00 C ATOM 39 NE ARG A 432 1.232 3.069 -4.328 1.00 1.00 N ATOM 40 CZ ARG A 432 -0.064 3.364 -4.350 1.00 1.00 C ATOM 41 NH1 ARG A 432 -0.947 2.416 -4.506 1.00 1.00 N ATOM 42 NH2 ARG A 432 -0.453 4.603 -4.215 1.00 1.00 N ATOM 0 H ARG A 432 4.833 0.897 -6.751 1.00 1.00 H new ATOM 0 HA ARG A 432 5.660 0.784 -4.045 1.00 1.00 H new ATOM 0 HB2 ARG A 432 3.224 -0.257 -5.565 1.00 1.00 H new ATOM 0 HB3 ARG A 432 3.370 -0.380 -3.823 1.00 1.00 H new ATOM 0 HG2 ARG A 432 3.650 2.095 -3.651 1.00 1.00 H new ATOM 0 HG3 ARG A 432 3.574 2.241 -5.395 1.00 1.00 H new ATOM 0 HD2 ARG A 432 1.270 1.257 -5.383 1.00 1.00 H new ATOM 0 HD3 ARG A 432 1.345 1.091 -3.640 1.00 1.00 H new ATOM 0 HE ARG A 432 1.915 3.817 -4.204 1.00 1.00 H new ATOM 0 HH11 ARG A 432 -0.643 1.448 -4.611 1.00 1.00 H new ATOM 0 HH12 ARG A 432 -1.941 2.643 -4.523 1.00 1.00 H new ATOM 0 HH21 ARG A 432 0.237 5.344 -4.093 1.00 1.00 H new ATOM 0 HH22 ARG A 432 -1.447 4.830 -4.232 1.00 1.00 H new ATOM 56 N SER A 433 5.644 -2.048 -5.718 1.00 1.00 N ATOM 57 CA SER A 433 6.067 -3.446 -5.671 1.00 1.00 C ATOM 58 C SER A 433 7.545 -3.572 -5.307 1.00 1.00 C ATOM 59 O SER A 433 7.918 -4.429 -4.507 1.00 1.00 O ATOM 60 CB SER A 433 5.822 -4.106 -7.028 1.00 1.00 C ATOM 61 OG SER A 433 6.202 -5.474 -6.958 1.00 1.00 O ATOM 0 H SER A 433 5.310 -1.737 -6.630 1.00 1.00 H new ATOM 0 HA SER A 433 5.481 -3.946 -4.900 1.00 1.00 H new ATOM 0 HB2 SER A 433 4.770 -4.022 -7.302 1.00 1.00 H new ATOM 0 HB3 SER A 433 6.395 -3.596 -7.802 1.00 1.00 H new ATOM 0 HG SER A 433 6.045 -5.902 -7.826 1.00 1.00 H new ATOM 67 N TRP A 434 8.383 -2.726 -5.903 1.00 1.00 N ATOM 68 CA TRP A 434 9.820 -2.771 -5.634 1.00 1.00 C ATOM 69 C TRP A 434 10.259 -1.574 -4.798 1.00 1.00 C ATOM 70 O TRP A 434 9.775 -0.460 -4.988 1.00 1.00 O ATOM 71 CB TRP A 434 10.594 -2.781 -6.955 1.00 1.00 C ATOM 72 CG TRP A 434 10.321 -4.059 -7.683 1.00 1.00 C ATOM 73 CD1 TRP A 434 9.507 -4.183 -8.757 1.00 1.00 C ATOM 74 CD2 TRP A 434 10.846 -5.390 -7.410 1.00 1.00 C ATOM 75 NE1 TRP A 434 9.498 -5.506 -9.159 1.00 1.00 N ATOM 76 CE2 TRP A 434 10.307 -6.290 -8.360 1.00 1.00 C ATOM 77 CE3 TRP A 434 11.727 -5.901 -6.441 1.00 1.00 C ATOM 78 CZ2 TRP A 434 10.631 -7.647 -8.349 1.00 1.00 C ATOM 79 CZ3 TRP A 434 12.056 -7.266 -6.426 1.00 1.00 C ATOM 80 CH2 TRP A 434 11.508 -8.137 -7.378 1.00 1.00 C ATOM 0 H TRP A 434 8.097 -2.008 -6.569 1.00 1.00 H new ATOM 0 HA TRP A 434 10.033 -3.681 -5.073 1.00 1.00 H new ATOM 0 HB2 TRP A 434 10.298 -1.930 -7.569 1.00 1.00 H new ATOM 0 HB3 TRP A 434 11.662 -2.680 -6.764 1.00 1.00 H new ATOM 0 HD1 TRP A 434 8.955 -3.380 -9.224 1.00 1.00 H new ATOM 0 HE1 TRP A 434 8.959 -5.860 -9.950 1.00 1.00 H new ATOM 0 HE3 TRP A 434 12.154 -5.239 -5.702 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 10.207 -8.314 -9.085 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 12.735 -7.647 -5.677 1.00 1.00 H new ATOM 0 HH2 TRP A 434 11.764 -9.186 -7.361 1.00 1.00 H new ATOM 91 N ASP A 435 11.182 -1.813 -3.873 1.00 1.00 N ATOM 92 CA ASP A 435 11.682 -0.748 -3.011 1.00 1.00 C ATOM 93 C ASP A 435 12.969 -0.158 -3.581 1.00 1.00 C ATOM 94 O ASP A 435 14.010 -0.815 -3.602 1.00 1.00 O ATOM 95 CB ASP A 435 11.949 -1.295 -1.609 1.00 1.00 C ATOM 96 CG ASP A 435 12.206 -0.145 -0.642 1.00 1.00 C ATOM 97 OD1 ASP A 435 12.310 0.980 -1.103 1.00 1.00 O ATOM 98 OD2 ASP A 435 12.296 -0.406 0.547 1.00 1.00 O ATOM 0 H ASP A 435 11.597 -2.729 -3.701 1.00 1.00 H new ATOM 0 HA ASP A 435 10.927 0.036 -2.958 1.00 1.00 H new ATOM 0 HB2 ASP A 435 11.096 -1.882 -1.270 1.00 1.00 H new ATOM 0 HB3 ASP A 435 12.809 -1.964 -1.628 1.00 1.00 H new ATOM 103 N THR A 436 12.893 1.090 -4.034 1.00 1.00 N ATOM 104 CA THR A 436 14.054 1.769 -4.597 1.00 1.00 C ATOM 105 C THR A 436 15.077 2.069 -3.506 1.00 1.00 C ATOM 106 O THR A 436 16.241 2.316 -3.796 1.00 1.00 O ATOM 107 CB THR A 436 13.620 3.076 -5.267 1.00 1.00 C ATOM 108 OG1 THR A 436 12.970 3.901 -4.311 1.00 1.00 O ATOM 109 CG2 THR A 436 12.659 2.769 -6.416 1.00 1.00 C ATOM 0 H THR A 436 12.041 1.650 -4.022 1.00 1.00 H new ATOM 0 HA THR A 436 14.512 1.115 -5.340 1.00 1.00 H new ATOM 0 HB THR A 436 14.496 3.593 -5.659 1.00 1.00 H new ATOM 0 HG1 THR A 436 12.693 4.739 -4.737 1.00 1.00 H new ATOM 0 HG21 THR A 436 12.351 3.700 -6.892 1.00 1.00 H new ATOM 0 HG22 THR A 436 13.159 2.135 -7.149 1.00 1.00 H new ATOM 0 HG23 THR A 436 11.781 2.252 -6.028 1.00 1.00 H new ATOM 117 N GLU A 437 14.645 2.038 -2.253 1.00 1.00 N ATOM 118 CA GLU A 437 15.563 2.308 -1.151 1.00 1.00 C ATOM 119 C GLU A 437 16.681 1.269 -1.142 1.00 1.00 C ATOM 120 O GLU A 437 17.831 1.583 -0.835 1.00 1.00 O ATOM 121 CB GLU A 437 14.810 2.268 0.180 1.00 1.00 C ATOM 122 CG GLU A 437 13.839 3.446 0.252 1.00 1.00 C ATOM 123 CD GLU A 437 13.021 3.368 1.534 1.00 1.00 C ATOM 124 OE1 GLU A 437 13.246 2.446 2.301 1.00 1.00 O ATOM 125 OE2 GLU A 437 12.181 4.229 1.732 1.00 1.00 O ATOM 0 H GLU A 437 13.685 1.833 -1.975 1.00 1.00 H new ATOM 0 HA GLU A 437 15.995 3.300 -1.285 1.00 1.00 H new ATOM 0 HB2 GLU A 437 14.266 1.328 0.274 1.00 1.00 H new ATOM 0 HB3 GLU A 437 15.515 2.313 1.010 1.00 1.00 H new ATOM 0 HG2 GLU A 437 14.391 4.385 0.219 1.00 1.00 H new ATOM 0 HG3 GLU A 437 13.176 3.435 -0.613 1.00 1.00 H new ATOM 132 N SER A 438 16.342 0.041 -1.508 1.00 1.00 N ATOM 133 CA SER A 438 17.338 -1.022 -1.563 1.00 1.00 C ATOM 134 C SER A 438 18.359 -0.745 -2.668 1.00 1.00 C ATOM 135 O SER A 438 19.538 -1.078 -2.534 1.00 1.00 O ATOM 136 CB SER A 438 16.652 -2.364 -1.819 1.00 1.00 C ATOM 137 OG SER A 438 15.938 -2.297 -3.045 1.00 1.00 O ATOM 0 H SER A 438 15.398 -0.243 -1.768 1.00 1.00 H new ATOM 0 HA SER A 438 17.859 -1.058 -0.607 1.00 1.00 H new ATOM 0 HB2 SER A 438 17.393 -3.163 -1.859 1.00 1.00 H new ATOM 0 HB3 SER A 438 15.972 -2.600 -1.001 1.00 1.00 H new ATOM 0 HG SER A 438 15.044 -1.929 -2.883 1.00 1.00 H new ATOM 143 N VAL A 439 17.901 -0.133 -3.756 1.00 1.00 N ATOM 144 CA VAL A 439 18.782 0.183 -4.877 1.00 1.00 C ATOM 145 C VAL A 439 19.856 1.192 -4.472 1.00 1.00 C ATOM 146 O VAL A 439 21.023 1.038 -4.835 1.00 1.00 O ATOM 147 CB VAL A 439 17.971 0.742 -6.046 1.00 1.00 C ATOM 148 CG1 VAL A 439 18.924 1.235 -7.137 1.00 1.00 C ATOM 149 CG2 VAL A 439 17.073 -0.361 -6.613 1.00 1.00 C ATOM 0 H VAL A 439 16.931 0.153 -3.886 1.00 1.00 H new ATOM 0 HA VAL A 439 19.274 -0.741 -5.183 1.00 1.00 H new ATOM 0 HB VAL A 439 17.355 1.572 -5.700 1.00 1.00 H new ATOM 0 HG11 VAL A 439 18.347 1.634 -7.971 1.00 1.00 H new ATOM 0 HG12 VAL A 439 19.566 2.018 -6.733 1.00 1.00 H new ATOM 0 HG13 VAL A 439 19.539 0.405 -7.485 1.00 1.00 H new ATOM 0 HG21 VAL A 439 16.493 0.035 -7.447 1.00 1.00 H new ATOM 0 HG22 VAL A 439 17.690 -1.190 -6.961 1.00 1.00 H new ATOM 0 HG23 VAL A 439 16.396 -0.714 -5.836 1.00 1.00 H new ATOM 159 N LEU A 440 19.465 2.229 -3.736 1.00 1.00 N ATOM 160 CA LEU A 440 20.420 3.251 -3.316 1.00 1.00 C ATOM 161 C LEU A 440 21.511 2.647 -2.429 1.00 1.00 C ATOM 162 O LEU A 440 22.688 2.984 -2.549 1.00 1.00 O ATOM 163 CB LEU A 440 19.708 4.377 -2.550 1.00 1.00 C ATOM 164 CG LEU A 440 19.109 5.422 -3.518 1.00 1.00 C ATOM 165 CD1 LEU A 440 20.214 6.320 -4.095 1.00 1.00 C ATOM 166 CD2 LEU A 440 18.375 4.731 -4.670 1.00 1.00 C ATOM 0 H LEU A 440 18.507 2.383 -3.421 1.00 1.00 H new ATOM 0 HA LEU A 440 20.880 3.662 -4.215 1.00 1.00 H new ATOM 0 HB2 LEU A 440 18.916 3.955 -1.932 1.00 1.00 H new ATOM 0 HB3 LEU A 440 20.413 4.864 -1.876 1.00 1.00 H new ATOM 0 HG LEU A 440 18.404 6.033 -2.954 1.00 1.00 H new ATOM 0 HD11 LEU A 440 19.773 7.049 -4.774 1.00 1.00 H new ATOM 0 HD12 LEU A 440 20.721 6.841 -3.283 1.00 1.00 H new ATOM 0 HD13 LEU A 440 20.934 5.708 -4.638 1.00 1.00 H new ATOM 0 HD21 LEU A 440 17.960 5.484 -5.341 1.00 1.00 H new ATOM 0 HD22 LEU A 440 19.073 4.100 -5.220 1.00 1.00 H new ATOM 0 HD23 LEU A 440 17.568 4.117 -4.271 1.00 1.00 H new ATOM 178 N ALA A 441 21.097 1.769 -1.532 1.00 1.00 N ATOM 179 CA ALA A 441 22.036 1.131 -0.609 1.00 1.00 C ATOM 180 C ALA A 441 23.097 0.303 -1.347 1.00 1.00 C ATOM 181 O ALA A 441 24.240 0.208 -0.894 1.00 1.00 O ATOM 182 CB ALA A 441 21.273 0.225 0.358 1.00 1.00 C ATOM 0 H ALA A 441 20.126 1.479 -1.419 1.00 1.00 H new ATOM 0 HA ALA A 441 22.548 1.924 -0.063 1.00 1.00 H new ATOM 0 HB1 ALA A 441 21.975 -0.249 1.044 1.00 1.00 H new ATOM 0 HB2 ALA A 441 20.557 0.819 0.925 1.00 1.00 H new ATOM 0 HB3 ALA A 441 20.742 -0.543 -0.205 1.00 1.00 H new ATOM 188 N MET A 442 22.717 -0.326 -2.454 1.00 1.00 N ATOM 189 CA MET A 442 23.650 -1.175 -3.201 1.00 1.00 C ATOM 190 C MET A 442 24.848 -0.399 -3.775 1.00 1.00 C ATOM 191 O MET A 442 25.968 -0.907 -3.730 1.00 1.00 O ATOM 192 CB MET A 442 22.907 -1.866 -4.346 1.00 1.00 C ATOM 193 CG MET A 442 22.024 -2.983 -3.785 1.00 1.00 C ATOM 194 SD MET A 442 21.119 -3.773 -5.138 1.00 1.00 S ATOM 195 CE MET A 442 20.003 -4.765 -4.116 1.00 1.00 C ATOM 0 H MET A 442 21.781 -0.268 -2.854 1.00 1.00 H new ATOM 0 HA MET A 442 24.046 -1.904 -2.495 1.00 1.00 H new ATOM 0 HB2 MET A 442 22.296 -1.142 -4.886 1.00 1.00 H new ATOM 0 HB3 MET A 442 23.620 -2.277 -5.060 1.00 1.00 H new ATOM 0 HG2 MET A 442 22.637 -3.719 -3.265 1.00 1.00 H new ATOM 0 HG3 MET A 442 21.325 -2.576 -3.054 1.00 1.00 H new ATOM 0 HE1 MET A 442 19.341 -5.345 -4.758 1.00 1.00 H new ATOM 0 HE2 MET A 442 20.586 -5.441 -3.491 1.00 1.00 H new ATOM 0 HE3 MET A 442 19.409 -4.107 -3.482 1.00 1.00 H new ATOM 205 N TRP A 443 24.655 0.800 -4.322 1.00 1.00 N ATOM 206 CA TRP A 443 25.815 1.508 -4.873 1.00 1.00 C ATOM 207 C TRP A 443 26.764 1.915 -3.751 1.00 1.00 C ATOM 208 O TRP A 443 27.973 1.962 -3.967 1.00 1.00 O ATOM 209 CB TRP A 443 25.445 2.744 -5.705 1.00 1.00 C ATOM 210 CG TRP A 443 24.654 3.717 -4.904 1.00 1.00 C ATOM 211 CD1 TRP A 443 23.317 3.828 -4.941 1.00 1.00 C ATOM 212 CD2 TRP A 443 25.128 4.724 -3.964 1.00 1.00 C ATOM 213 NE1 TRP A 443 22.928 4.842 -4.082 1.00 1.00 N ATOM 214 CE2 TRP A 443 24.010 5.422 -3.454 1.00 1.00 C ATOM 215 CE3 TRP A 443 26.406 5.094 -3.506 1.00 1.00 C ATOM 216 CZ2 TRP A 443 24.150 6.452 -2.526 1.00 1.00 C ATOM 217 CZ3 TRP A 443 26.550 6.132 -2.570 1.00 1.00 C ATOM 218 CH2 TRP A 443 25.425 6.809 -2.081 1.00 1.00 C ATOM 0 H TRP A 443 23.760 1.283 -4.396 1.00 1.00 H new ATOM 0 HA TRP A 443 26.302 0.807 -5.551 1.00 1.00 H new ATOM 0 HB2 TRP A 443 26.353 3.224 -6.071 1.00 1.00 H new ATOM 0 HB3 TRP A 443 24.871 2.438 -6.580 1.00 1.00 H new ATOM 0 HD1 TRP A 443 22.653 3.225 -5.543 1.00 1.00 H new ATOM 0 HE1 TRP A 443 21.960 5.125 -3.932 1.00 1.00 H new ATOM 0 HE3 TRP A 443 27.280 4.578 -3.875 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 23.279 6.971 -2.153 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 27.535 6.410 -2.225 1.00 1.00 H new ATOM 0 HH2 TRP A 443 25.543 7.605 -1.361 1.00 1.00 H new ATOM 229 N VAL A 444 26.255 2.191 -2.555 1.00 1.00 N ATOM 230 CA VAL A 444 27.131 2.571 -1.450 1.00 1.00 C ATOM 231 C VAL A 444 28.093 1.432 -1.155 1.00 1.00 C ATOM 232 O VAL A 444 29.295 1.654 -1.019 1.00 1.00 O ATOM 233 CB VAL A 444 26.303 2.876 -0.201 1.00 1.00 C ATOM 234 CG1 VAL A 444 27.238 3.045 0.996 1.00 1.00 C ATOM 235 CG2 VAL A 444 25.509 4.168 -0.407 1.00 1.00 C ATOM 0 H VAL A 444 25.261 2.160 -2.327 1.00 1.00 H new ATOM 0 HA VAL A 444 27.691 3.463 -1.730 1.00 1.00 H new ATOM 0 HB VAL A 444 25.612 2.053 -0.018 1.00 1.00 H new ATOM 0 HG11 VAL A 444 26.651 3.263 1.888 1.00 1.00 H new ATOM 0 HG12 VAL A 444 27.803 2.126 1.149 1.00 1.00 H new ATOM 0 HG13 VAL A 444 27.928 3.868 0.806 1.00 1.00 H new ATOM 0 HG21 VAL A 444 24.921 4.380 0.486 1.00 1.00 H new ATOM 0 HG22 VAL A 444 26.197 4.992 -0.593 1.00 1.00 H new ATOM 0 HG23 VAL A 444 24.842 4.053 -1.261 1.00 1.00 H new ATOM 245 N LEU A 445 27.582 0.212 -1.086 1.00 1.00 N ATOM 246 CA LEU A 445 28.444 -0.934 -0.832 1.00 1.00 C ATOM 247 C LEU A 445 29.455 -1.079 -1.969 1.00 1.00 C ATOM 248 O LEU A 445 30.626 -1.376 -1.727 1.00 1.00 O ATOM 249 CB LEU A 445 27.601 -2.212 -0.720 1.00 1.00 C ATOM 250 CG LEU A 445 26.761 -2.163 0.563 1.00 1.00 C ATOM 251 CD1 LEU A 445 25.765 -3.324 0.568 1.00 1.00 C ATOM 252 CD2 LEU A 445 27.667 -2.263 1.798 1.00 1.00 C ATOM 0 H LEU A 445 26.593 -0.009 -1.200 1.00 1.00 H new ATOM 0 HA LEU A 445 28.976 -0.778 0.106 1.00 1.00 H new ATOM 0 HB2 LEU A 445 26.950 -2.308 -1.589 1.00 1.00 H new ATOM 0 HB3 LEU A 445 28.250 -3.088 -0.709 1.00 1.00 H new ATOM 0 HG LEU A 445 26.223 -1.216 0.594 1.00 1.00 H new ATOM 0 HD11 LEU A 445 25.169 -3.288 1.480 1.00 1.00 H new ATOM 0 HD12 LEU A 445 25.108 -3.244 -0.298 1.00 1.00 H new ATOM 0 HD13 LEU A 445 26.307 -4.269 0.526 1.00 1.00 H new ATOM 0 HD21 LEU A 445 27.057 -2.227 2.701 1.00 1.00 H new ATOM 0 HD22 LEU A 445 28.218 -3.203 1.770 1.00 1.00 H new ATOM 0 HD23 LEU A 445 28.370 -1.430 1.802 1.00 1.00 H new ATOM 264 N ALA A 446 29.005 -0.893 -3.206 1.00 1.00 N ATOM 265 CA ALA A 446 29.895 -1.026 -4.358 1.00 1.00 C ATOM 266 C ALA A 446 31.038 -0.009 -4.291 1.00 1.00 C ATOM 267 O ALA A 446 32.198 -0.355 -4.513 1.00 1.00 O ATOM 268 CB ALA A 446 29.103 -0.818 -5.650 1.00 1.00 C ATOM 0 H ALA A 446 28.041 -0.652 -3.437 1.00 1.00 H new ATOM 0 HA ALA A 446 30.323 -2.028 -4.344 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.770 -0.918 -6.506 1.00 1.00 H new ATOM 0 HB2 ALA A 446 28.313 -1.566 -5.717 1.00 1.00 H new ATOM 0 HB3 ALA A 446 28.661 0.178 -5.649 1.00 1.00 H new ATOM 274 N LEU A 447 30.709 1.243 -3.968 1.00 1.00 N ATOM 275 CA LEU A 447 31.731 2.293 -3.864 1.00 1.00 C ATOM 276 C LEU A 447 32.704 1.993 -2.728 1.00 1.00 C ATOM 277 O LEU A 447 33.905 2.232 -2.864 1.00 1.00 O ATOM 278 CB LEU A 447 31.090 3.671 -3.666 1.00 1.00 C ATOM 279 CG LEU A 447 30.787 4.338 -5.023 1.00 1.00 C ATOM 280 CD1 LEU A 447 29.767 3.532 -5.829 1.00 1.00 C ATOM 281 CD2 LEU A 447 30.229 5.749 -4.780 1.00 1.00 C ATOM 0 H LEU A 447 29.757 1.555 -3.776 1.00 1.00 H new ATOM 0 HA LEU A 447 32.287 2.307 -4.801 1.00 1.00 H new ATOM 0 HB2 LEU A 447 30.168 3.569 -3.093 1.00 1.00 H new ATOM 0 HB3 LEU A 447 31.758 4.307 -3.085 1.00 1.00 H new ATOM 0 HG LEU A 447 31.715 4.384 -5.592 1.00 1.00 H new ATOM 0 HD11 LEU A 447 29.577 4.031 -6.779 1.00 1.00 H new ATOM 0 HD12 LEU A 447 30.159 2.532 -6.016 1.00 1.00 H new ATOM 0 HD13 LEU A 447 28.836 3.457 -5.267 1.00 1.00 H new ATOM 0 HD21 LEU A 447 30.013 6.225 -5.737 1.00 1.00 H new ATOM 0 HD22 LEU A 447 29.313 5.682 -4.193 1.00 1.00 H new ATOM 0 HD23 LEU A 447 30.965 6.343 -4.237 1.00 1.00 H new ATOM 293 N ILE A 448 32.210 1.476 -1.610 1.00 1.00 N ATOM 294 CA ILE A 448 33.102 1.179 -0.487 1.00 1.00 C ATOM 295 C ILE A 448 34.137 0.131 -0.885 1.00 1.00 C ATOM 296 O ILE A 448 35.326 0.246 -0.573 1.00 1.00 O ATOM 297 CB ILE A 448 32.295 0.679 0.721 1.00 1.00 C ATOM 298 CG1 ILE A 448 31.468 1.836 1.282 1.00 1.00 C ATOM 299 CG2 ILE A 448 33.244 0.157 1.796 1.00 1.00 C ATOM 300 CD1 ILE A 448 30.454 1.300 2.289 1.00 1.00 C ATOM 0 H ILE A 448 31.226 1.257 -1.454 1.00 1.00 H new ATOM 0 HA ILE A 448 33.620 2.098 -0.213 1.00 1.00 H new ATOM 0 HB ILE A 448 31.633 -0.129 0.410 1.00 1.00 H new ATOM 0 HG12 ILE A 448 32.122 2.564 1.762 1.00 1.00 H new ATOM 0 HG13 ILE A 448 30.953 2.354 0.473 1.00 1.00 H new ATOM 0 HG21 ILE A 448 32.667 -0.196 2.650 1.00 1.00 H new ATOM 0 HG22 ILE A 448 33.834 -0.665 1.392 1.00 1.00 H new ATOM 0 HG23 ILE A 448 33.910 0.959 2.115 1.00 1.00 H new ATOM 0 HD11 ILE A 448 29.866 2.126 2.688 1.00 1.00 H new ATOM 0 HD12 ILE A 448 29.792 0.588 1.795 1.00 1.00 H new ATOM 0 HD13 ILE A 448 30.979 0.802 3.104 1.00 1.00 H new ATOM 312 N VAL A 449 33.670 -0.892 -1.574 1.00 1.00 N ATOM 313 CA VAL A 449 34.540 -1.970 -2.024 1.00 1.00 C ATOM 314 C VAL A 449 35.583 -1.439 -3.003 1.00 1.00 C ATOM 315 O VAL A 449 36.757 -1.833 -2.943 1.00 1.00 O ATOM 316 CB VAL A 449 33.713 -3.054 -2.698 1.00 1.00 C ATOM 317 CG1 VAL A 449 34.637 -4.063 -3.360 1.00 1.00 C ATOM 318 CG2 VAL A 449 32.849 -3.761 -1.652 1.00 1.00 C ATOM 0 H VAL A 449 32.691 -1.003 -1.837 1.00 1.00 H new ATOM 0 HA VAL A 449 35.051 -2.389 -1.157 1.00 1.00 H new ATOM 0 HB VAL A 449 33.071 -2.602 -3.454 1.00 1.00 H new ATOM 0 HG11 VAL A 449 34.043 -4.839 -3.842 1.00 1.00 H new ATOM 0 HG12 VAL A 449 35.251 -3.559 -4.107 1.00 1.00 H new ATOM 0 HG13 VAL A 449 35.281 -4.516 -2.606 1.00 1.00 H new ATOM 0 HG21 VAL A 449 32.256 -4.538 -2.135 1.00 1.00 H new ATOM 0 HG22 VAL A 449 33.490 -4.212 -0.895 1.00 1.00 H new ATOM 0 HG23 VAL A 449 32.184 -3.038 -1.180 1.00 1.00 H new ATOM 328 N ILE A 450 35.156 -0.564 -3.926 1.00 1.00 N ATOM 329 CA ILE A 450 36.090 -0.034 -4.920 1.00 1.00 C ATOM 330 C ILE A 450 37.220 0.769 -4.270 1.00 1.00 C ATOM 331 O ILE A 450 38.393 0.566 -4.598 1.00 1.00 O ATOM 332 CB ILE A 450 35.335 0.858 -5.929 1.00 1.00 C ATOM 333 CG1 ILE A 450 34.415 -0.022 -6.781 1.00 1.00 C ATOM 334 CG2 ILE A 450 36.335 1.563 -6.844 1.00 1.00 C ATOM 335 CD1 ILE A 450 33.445 0.849 -7.568 1.00 1.00 C ATOM 0 H ILE A 450 34.199 -0.219 -4.002 1.00 1.00 H new ATOM 0 HA ILE A 450 36.537 -0.883 -5.437 1.00 1.00 H new ATOM 0 HB ILE A 450 34.750 1.602 -5.389 1.00 1.00 H new ATOM 0 HG12 ILE A 450 35.009 -0.629 -7.465 1.00 1.00 H new ATOM 0 HG13 ILE A 450 33.862 -0.711 -6.142 1.00 1.00 H new ATOM 0 HG21 ILE A 450 35.798 2.191 -7.554 1.00 1.00 H new ATOM 0 HG22 ILE A 450 37.003 2.182 -6.245 1.00 1.00 H new ATOM 0 HG23 ILE A 450 36.919 0.819 -7.386 1.00 1.00 H new ATOM 0 HD11 ILE A 450 32.794 0.216 -8.171 1.00 1.00 H new ATOM 0 HD12 ILE A 450 32.840 1.436 -6.877 1.00 1.00 H new ATOM 0 HD13 ILE A 450 34.005 1.519 -8.220 1.00 1.00 H new ATOM 347 N PHE A 451 36.883 1.653 -3.338 1.00 1.00 N ATOM 348 CA PHE A 451 37.913 2.454 -2.676 1.00 1.00 C ATOM 349 C PHE A 451 38.888 1.552 -1.924 1.00 1.00 C ATOM 350 O PHE A 451 40.094 1.747 -2.003 1.00 1.00 O ATOM 351 CB PHE A 451 37.307 3.469 -1.694 1.00 1.00 C ATOM 352 CG PHE A 451 36.592 4.574 -2.448 1.00 1.00 C ATOM 353 CD1 PHE A 451 37.320 5.429 -3.290 1.00 1.00 C ATOM 354 CD2 PHE A 451 35.209 4.741 -2.315 1.00 1.00 C ATOM 355 CE1 PHE A 451 36.664 6.446 -3.993 1.00 1.00 C ATOM 356 CE2 PHE A 451 34.552 5.760 -3.021 1.00 1.00 C ATOM 357 CZ PHE A 451 35.283 6.611 -3.861 1.00 1.00 C ATOM 0 H PHE A 451 35.928 1.833 -3.027 1.00 1.00 H new ATOM 0 HA PHE A 451 38.441 3.003 -3.456 1.00 1.00 H new ATOM 0 HB2 PHE A 451 36.608 2.965 -1.026 1.00 1.00 H new ATOM 0 HB3 PHE A 451 38.093 3.895 -1.071 1.00 1.00 H new ATOM 0 HD1 PHE A 451 38.387 5.302 -3.396 1.00 1.00 H new ATOM 0 HD2 PHE A 451 34.646 4.084 -1.668 1.00 1.00 H new ATOM 0 HE1 PHE A 451 37.226 7.104 -4.639 1.00 1.00 H new ATOM 0 HE2 PHE A 451 33.485 5.888 -2.917 1.00 1.00 H new ATOM 0 HZ PHE A 451 34.778 7.395 -4.407 1.00 1.00 H new ATOM 367 N LEU A 452 38.360 0.566 -1.194 1.00 1.00 N ATOM 368 CA LEU A 452 39.204 -0.354 -0.434 1.00 1.00 C ATOM 369 C LEU A 452 40.083 -1.175 -1.373 1.00 1.00 C ATOM 370 O LEU A 452 41.266 -1.386 -1.103 1.00 1.00 O ATOM 371 CB LEU A 452 38.328 -1.291 0.394 1.00 1.00 C ATOM 372 CG LEU A 452 37.636 -0.508 1.517 1.00 1.00 C ATOM 373 CD1 LEU A 452 36.605 -1.405 2.200 1.00 1.00 C ATOM 374 CD2 LEU A 452 38.668 -0.042 2.553 1.00 1.00 C ATOM 0 H LEU A 452 37.359 0.386 -1.114 1.00 1.00 H new ATOM 0 HA LEU A 452 39.845 0.229 0.227 1.00 1.00 H new ATOM 0 HB2 LEU A 452 37.581 -1.763 -0.245 1.00 1.00 H new ATOM 0 HB3 LEU A 452 38.936 -2.090 0.818 1.00 1.00 H new ATOM 0 HG LEU A 452 37.143 0.365 1.088 1.00 1.00 H new ATOM 0 HD11 LEU A 452 36.112 -0.850 2.998 1.00 1.00 H new ATOM 0 HD12 LEU A 452 35.862 -1.727 1.470 1.00 1.00 H new ATOM 0 HD13 LEU A 452 37.104 -2.279 2.620 1.00 1.00 H new ATOM 0 HD21 LEU A 452 38.164 0.512 3.345 1.00 1.00 H new ATOM 0 HD22 LEU A 452 39.171 -0.909 2.981 1.00 1.00 H new ATOM 0 HD23 LEU A 452 39.403 0.602 2.070 1.00 1.00 H new ATOM 386 N THR A 453 39.481 -1.609 -2.485 1.00 1.00 N ATOM 387 CA THR A 453 40.231 -2.385 -3.468 1.00 1.00 C ATOM 388 C THR A 453 41.359 -1.540 -4.052 1.00 1.00 C ATOM 389 O THR A 453 42.501 -1.993 -4.152 1.00 1.00 O ATOM 390 CB THR A 453 39.299 -2.849 -4.591 1.00 1.00 C ATOM 391 OG1 THR A 453 38.291 -3.699 -4.059 1.00 1.00 O ATOM 392 CG2 THR A 453 40.108 -3.604 -5.639 1.00 1.00 C ATOM 0 H THR A 453 38.503 -1.441 -2.720 1.00 1.00 H new ATOM 0 HA THR A 453 40.658 -3.258 -2.974 1.00 1.00 H new ATOM 0 HB THR A 453 38.826 -1.982 -5.052 1.00 1.00 H new ATOM 0 HG1 THR A 453 37.563 -3.154 -3.693 1.00 1.00 H new ATOM 0 HG21 THR A 453 39.447 -3.935 -6.440 1.00 1.00 H new ATOM 0 HG22 THR A 453 40.874 -2.947 -6.050 1.00 1.00 H new ATOM 0 HG23 THR A 453 40.582 -4.470 -5.178 1.00 1.00 H new ATOM 400 N ILE A 454 41.027 -0.312 -4.435 1.00 1.00 N ATOM 401 CA ILE A 454 41.998 0.613 -5.005 1.00 1.00 C ATOM 402 C ILE A 454 43.053 1.008 -3.972 1.00 1.00 C ATOM 403 O ILE A 454 44.234 1.210 -4.295 1.00 1.00 O ATOM 404 CB ILE A 454 41.296 1.849 -5.543 1.00 1.00 C ATOM 405 CG1 ILE A 454 40.437 1.475 -6.753 1.00 1.00 C ATOM 406 CG2 ILE A 454 42.343 2.867 -5.971 1.00 1.00 C ATOM 407 CD1 ILE A 454 39.511 2.642 -7.098 1.00 1.00 C ATOM 0 H ILE A 454 40.083 0.068 -4.360 1.00 1.00 H new ATOM 0 HA ILE A 454 42.504 0.109 -5.828 1.00 1.00 H new ATOM 0 HB ILE A 454 40.659 2.270 -4.765 1.00 1.00 H new ATOM 0 HG12 ILE A 454 41.074 1.237 -7.605 1.00 1.00 H new ATOM 0 HG13 ILE A 454 39.850 0.583 -6.535 1.00 1.00 H new ATOM 0 HG21 ILE A 454 41.848 3.757 -6.358 1.00 1.00 H new ATOM 0 HG22 ILE A 454 42.959 3.138 -5.113 1.00 1.00 H new ATOM 0 HG23 ILE A 454 42.974 2.435 -6.748 1.00 1.00 H new ATOM 0 HD11 ILE A 454 38.898 2.378 -7.960 1.00 1.00 H new ATOM 0 HD12 ILE A 454 38.866 2.859 -6.247 1.00 1.00 H new ATOM 0 HD13 ILE A 454 40.108 3.523 -7.334 1.00 1.00 H new ATOM 419 N ALA A 455 42.587 1.180 -2.731 1.00 1.00 N ATOM 420 CA ALA A 455 43.477 1.596 -1.649 1.00 1.00 C ATOM 421 C ALA A 455 44.604 0.584 -1.463 1.00 1.00 C ATOM 422 O ALA A 455 45.760 0.950 -1.255 1.00 1.00 O ATOM 423 CB ALA A 455 42.709 1.761 -0.330 1.00 1.00 C ATOM 0 H ALA A 455 41.615 1.040 -2.456 1.00 1.00 H new ATOM 0 HA ALA A 455 43.903 2.561 -1.925 1.00 1.00 H new ATOM 0 HB1 ALA A 455 43.398 2.071 0.456 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.934 2.518 -0.452 1.00 1.00 H new ATOM 0 HB3 ALA A 455 42.249 0.812 -0.056 1.00 1.00 H new ATOM 429 N VAL A 456 44.225 -0.695 -1.490 1.00 1.00 N ATOM 430 CA VAL A 456 45.179 -1.785 -1.283 1.00 1.00 C ATOM 431 C VAL A 456 46.227 -1.827 -2.384 1.00 1.00 C ATOM 432 O VAL A 456 47.406 -1.970 -2.105 1.00 1.00 O ATOM 433 CB VAL A 456 44.436 -3.118 -1.248 1.00 1.00 C ATOM 434 CG1 VAL A 456 45.446 -4.270 -1.251 1.00 1.00 C ATOM 435 CG2 VAL A 456 43.584 -3.188 0.021 1.00 1.00 C ATOM 0 H VAL A 456 43.266 -1.001 -1.653 1.00 1.00 H new ATOM 0 HA VAL A 456 45.685 -1.609 -0.334 1.00 1.00 H new ATOM 0 HB VAL A 456 43.794 -3.200 -2.125 1.00 1.00 H new ATOM 0 HG11 VAL A 456 44.914 -5.221 -1.226 1.00 1.00 H new ATOM 0 HG12 VAL A 456 46.054 -4.218 -2.154 1.00 1.00 H new ATOM 0 HG13 VAL A 456 46.090 -4.192 -0.375 1.00 1.00 H new ATOM 0 HG21 VAL A 456 43.052 -4.139 0.050 1.00 1.00 H new ATOM 0 HG22 VAL A 456 44.228 -3.106 0.897 1.00 1.00 H new ATOM 0 HG23 VAL A 456 42.865 -2.369 0.022 1.00 1.00 H new ATOM 445 N LEU A 457 45.802 -1.686 -3.634 1.00 1.00 N ATOM 446 CA LEU A 457 46.744 -1.720 -4.743 1.00 1.00 C ATOM 447 C LEU A 457 47.749 -0.577 -4.650 1.00 1.00 C ATOM 448 O LEU A 457 48.944 -0.792 -4.874 1.00 1.00 O ATOM 449 CB LEU A 457 45.988 -1.628 -6.071 1.00 1.00 C ATOM 450 CG LEU A 457 45.188 -2.914 -6.302 1.00 1.00 C ATOM 451 CD1 LEU A 457 44.264 -2.721 -7.502 1.00 1.00 C ATOM 452 CD2 LEU A 457 46.135 -4.096 -6.571 1.00 1.00 C ATOM 0 H LEU A 457 44.827 -1.549 -3.901 1.00 1.00 H new ATOM 0 HA LEU A 457 47.289 -2.662 -4.693 1.00 1.00 H new ATOM 0 HB2 LEU A 457 45.318 -0.769 -6.060 1.00 1.00 H new ATOM 0 HB3 LEU A 457 46.690 -1.474 -6.890 1.00 1.00 H new ATOM 0 HG LEU A 457 44.601 -3.132 -5.410 1.00 1.00 H new ATOM 0 HD11 LEU A 457 43.692 -3.633 -7.671 1.00 1.00 H new ATOM 0 HD12 LEU A 457 43.580 -1.895 -7.306 1.00 1.00 H new ATOM 0 HD13 LEU A 457 44.859 -2.497 -8.387 1.00 1.00 H new ATOM 0 HD21 LEU A 457 45.550 -5.001 -6.733 1.00 1.00 H new ATOM 0 HD22 LEU A 457 46.734 -3.888 -7.457 1.00 1.00 H new ATOM 0 HD23 LEU A 457 46.793 -4.238 -5.714 1.00 1.00 H new ATOM 464 N LEU A 458 47.293 0.627 -4.322 1.00 1.00 N ATOM 465 CA LEU A 458 48.221 1.750 -4.212 1.00 1.00 C ATOM 466 C LEU A 458 49.220 1.483 -3.090 1.00 1.00 C ATOM 467 O LEU A 458 50.422 1.708 -3.243 1.00 1.00 O ATOM 468 CB LEU A 458 47.451 3.042 -3.921 1.00 1.00 C ATOM 469 CG LEU A 458 46.631 3.444 -5.152 1.00 1.00 C ATOM 470 CD1 LEU A 458 45.702 4.605 -4.791 1.00 1.00 C ATOM 471 CD2 LEU A 458 47.562 3.874 -6.295 1.00 1.00 C ATOM 0 H LEU A 458 46.316 0.849 -4.132 1.00 1.00 H new ATOM 0 HA LEU A 458 48.757 1.861 -5.155 1.00 1.00 H new ATOM 0 HB2 LEU A 458 46.792 2.899 -3.064 1.00 1.00 H new ATOM 0 HB3 LEU A 458 48.146 3.840 -3.659 1.00 1.00 H new ATOM 0 HG LEU A 458 46.041 2.587 -5.477 1.00 1.00 H new ATOM 0 HD11 LEU A 458 45.119 4.890 -5.667 1.00 1.00 H new ATOM 0 HD12 LEU A 458 45.028 4.297 -3.991 1.00 1.00 H new ATOM 0 HD13 LEU A 458 46.296 5.456 -4.457 1.00 1.00 H new ATOM 0 HD21 LEU A 458 46.966 4.157 -7.163 1.00 1.00 H new ATOM 0 HD22 LEU A 458 48.163 4.725 -5.974 1.00 1.00 H new ATOM 0 HD23 LEU A 458 48.219 3.046 -6.560 1.00 1.00 H new ATOM 483 N ALA A 459 48.714 0.988 -1.967 1.00 1.00 N ATOM 484 CA ALA A 459 49.560 0.673 -0.819 1.00 1.00 C ATOM 485 C ALA A 459 50.471 -0.517 -1.116 1.00 1.00 C ATOM 486 O ALA A 459 51.616 -0.534 -0.666 1.00 1.00 O ATOM 487 CB ALA A 459 48.684 0.353 0.395 1.00 1.00 C ATOM 0 H ALA A 459 47.722 0.796 -1.825 1.00 1.00 H new ATOM 0 HA ALA A 459 50.184 1.541 -0.608 1.00 1.00 H new ATOM 0 HB1 ALA A 459 49.318 0.118 1.250 1.00 1.00 H new ATOM 0 HB2 ALA A 459 48.061 1.215 0.631 1.00 1.00 H new ATOM 0 HB3 ALA A 459 48.048 -0.503 0.169 1.00 1.00 H new ATOM 493 N LEU A 460 49.987 -1.511 -1.854 1.00 1.00 N ATOM 494 CA LEU A 460 50.810 -2.676 -2.161 1.00 1.00 C ATOM 495 C LEU A 460 52.042 -2.244 -2.955 1.00 1.00 C ATOM 496 O LEU A 460 53.157 -2.701 -2.706 1.00 1.00 O ATOM 497 CB LEU A 460 49.975 -3.730 -2.928 1.00 1.00 C ATOM 498 CG LEU A 460 50.632 -4.153 -4.256 1.00 1.00 C ATOM 499 CD1 LEU A 460 51.958 -4.870 -3.983 1.00 1.00 C ATOM 500 CD2 LEU A 460 49.691 -5.121 -4.983 1.00 1.00 C ATOM 0 H LEU A 460 49.045 -1.535 -2.245 1.00 1.00 H new ATOM 0 HA LEU A 460 51.152 -3.137 -1.234 1.00 1.00 H new ATOM 0 HB2 LEU A 460 49.839 -4.609 -2.298 1.00 1.00 H new ATOM 0 HB3 LEU A 460 48.983 -3.326 -3.130 1.00 1.00 H new ATOM 0 HG LEU A 460 50.819 -3.268 -4.864 1.00 1.00 H new ATOM 0 HD11 LEU A 460 52.414 -5.165 -4.928 1.00 1.00 H new ATOM 0 HD12 LEU A 460 52.631 -4.199 -3.449 1.00 1.00 H new ATOM 0 HD13 LEU A 460 51.774 -5.757 -3.377 1.00 1.00 H new ATOM 0 HD21 LEU A 460 50.143 -5.429 -5.926 1.00 1.00 H new ATOM 0 HD22 LEU A 460 49.519 -5.998 -4.359 1.00 1.00 H new ATOM 0 HD23 LEU A 460 48.741 -4.625 -5.182 1.00 1.00 H new ATOM 512 N ARG A 461 51.813 -1.352 -3.916 1.00 1.00 N ATOM 513 CA ARG A 461 52.888 -0.839 -4.759 1.00 1.00 C ATOM 514 C ARG A 461 53.913 -0.102 -3.907 1.00 1.00 C ATOM 515 O ARG A 461 55.119 -0.253 -4.098 1.00 1.00 O ATOM 516 CB ARG A 461 52.299 0.093 -5.832 1.00 1.00 C ATOM 517 CG ARG A 461 53.392 0.581 -6.798 1.00 1.00 C ATOM 518 CD ARG A 461 53.930 1.953 -6.366 1.00 1.00 C ATOM 519 NE ARG A 461 52.857 2.940 -6.376 1.00 1.00 N ATOM 520 CZ ARG A 461 52.491 3.546 -7.501 1.00 1.00 C ATOM 521 NH1 ARG A 461 53.094 3.259 -8.622 1.00 1.00 N ATOM 522 NH2 ARG A 461 51.527 4.425 -7.485 1.00 1.00 N ATOM 0 H ARG A 461 50.892 -0.970 -4.130 1.00 1.00 H new ATOM 0 HA ARG A 461 53.391 -1.670 -5.254 1.00 1.00 H new ATOM 0 HB2 ARG A 461 51.524 -0.433 -6.390 1.00 1.00 H new ATOM 0 HB3 ARG A 461 51.823 0.949 -5.354 1.00 1.00 H new ATOM 0 HG2 ARG A 461 54.207 -0.142 -6.826 1.00 1.00 H new ATOM 0 HG3 ARG A 461 52.988 0.646 -7.808 1.00 1.00 H new ATOM 0 HD2 ARG A 461 54.362 1.885 -5.368 1.00 1.00 H new ATOM 0 HD3 ARG A 461 54.729 2.267 -7.038 1.00 1.00 H new ATOM 0 HE ARG A 461 52.379 3.169 -5.505 1.00 1.00 H new ATOM 0 HH11 ARG A 461 53.846 2.570 -8.635 1.00 1.00 H new ATOM 0 HH12 ARG A 461 52.813 3.724 -9.486 1.00 1.00 H new ATOM 0 HH21 ARG A 461 51.054 4.647 -6.609 1.00 1.00 H new ATOM 0 HH22 ARG A 461 51.246 4.890 -8.348 1.00 1.00 H new ATOM 536 N PHE A 462 53.421 0.698 -2.967 1.00 1.00 N ATOM 537 CA PHE A 462 54.299 1.459 -2.086 1.00 1.00 C ATOM 538 C PHE A 462 55.187 0.511 -1.297 1.00 1.00 C ATOM 539 O PHE A 462 56.397 0.712 -1.203 1.00 1.00 O ATOM 540 CB PHE A 462 53.469 2.310 -1.123 1.00 1.00 C ATOM 541 CG PHE A 462 54.391 3.100 -0.225 1.00 1.00 C ATOM 542 CD1 PHE A 462 55.081 4.209 -0.732 1.00 1.00 C ATOM 543 CD2 PHE A 462 54.555 2.726 1.114 1.00 1.00 C ATOM 544 CE1 PHE A 462 55.935 4.942 0.101 1.00 1.00 C ATOM 545 CE2 PHE A 462 55.409 3.458 1.946 1.00 1.00 C ATOM 546 CZ PHE A 462 56.100 4.566 1.440 1.00 1.00 C ATOM 0 H PHE A 462 52.425 0.836 -2.796 1.00 1.00 H new ATOM 0 HA PHE A 462 54.923 2.115 -2.692 1.00 1.00 H new ATOM 0 HB2 PHE A 462 52.823 2.986 -1.683 1.00 1.00 H new ATOM 0 HB3 PHE A 462 52.820 1.671 -0.524 1.00 1.00 H new ATOM 0 HD1 PHE A 462 54.954 4.498 -1.765 1.00 1.00 H new ATOM 0 HD2 PHE A 462 54.022 1.872 1.505 1.00 1.00 H new ATOM 0 HE1 PHE A 462 56.467 5.797 -0.289 1.00 1.00 H new ATOM 0 HE2 PHE A 462 55.535 3.169 2.979 1.00 1.00 H new ATOM 0 HZ PHE A 462 56.760 5.130 2.082 1.00 1.00 H new ATOM 556 N CYS A 463 54.585 -0.533 -0.746 1.00 1.00 N ATOM 557 CA CYS A 463 55.308 -1.537 0.014 1.00 1.00 C ATOM 558 C CYS A 463 56.170 -2.379 -0.918 1.00 1.00 C ATOM 559 O CYS A 463 57.204 -2.910 -0.513 1.00 1.00 O ATOM 560 CB CYS A 463 54.321 -2.439 0.757 1.00 1.00 C ATOM 561 SG CYS A 463 53.395 -1.459 1.962 1.00 1.00 S ATOM 0 H CYS A 463 53.582 -0.706 -0.814 1.00 1.00 H new ATOM 0 HA CYS A 463 55.951 -1.035 0.737 1.00 1.00 H new ATOM 0 HB2 CYS A 463 53.636 -2.906 0.050 1.00 1.00 H new ATOM 0 HB3 CYS A 463 54.856 -3.243 1.261 1.00 1.00 H new ATOM 0 HG CYS A 463 52.447 -0.809 1.356 1.00 1.00 H new ATOM 567 N GLY A 464 55.739 -2.492 -2.170 1.00 1.00 N ATOM 568 CA GLY A 464 56.482 -3.272 -3.156 1.00 1.00 C ATOM 569 C GLY A 464 57.834 -2.635 -3.471 1.00 1.00 C ATOM 570 O GLY A 464 58.839 -3.330 -3.616 1.00 1.00 O ATOM 0 H GLY A 464 54.887 -2.058 -2.525 1.00 1.00 H new ATOM 0 HA2 GLY A 464 56.634 -4.284 -2.781 1.00 1.00 H new ATOM 0 HA3 GLY A 464 55.896 -3.356 -4.071 1.00 1.00 H new ATOM 574 N ILE A 465 57.845 -1.311 -3.587 1.00 1.00 N ATOM 575 CA ILE A 465 59.069 -0.576 -3.898 1.00 1.00 C ATOM 576 C ILE A 465 59.823 -0.201 -2.621 1.00 1.00 C ATOM 577 O ILE A 465 60.901 0.388 -2.676 1.00 1.00 O ATOM 578 CB ILE A 465 58.720 0.683 -4.709 1.00 1.00 C ATOM 579 CG1 ILE A 465 60.001 1.353 -5.223 1.00 1.00 C ATOM 580 CG2 ILE A 465 57.950 1.672 -3.833 1.00 1.00 C ATOM 581 CD1 ILE A 465 59.639 2.377 -6.301 1.00 1.00 C ATOM 0 H ILE A 465 57.020 -0.723 -3.470 1.00 1.00 H new ATOM 0 HA ILE A 465 59.721 -1.216 -4.492 1.00 1.00 H new ATOM 0 HB ILE A 465 58.101 0.390 -5.557 1.00 1.00 H new ATOM 0 HG12 ILE A 465 60.524 1.842 -4.401 1.00 1.00 H new ATOM 0 HG13 ILE A 465 60.679 0.603 -5.631 1.00 1.00 H new ATOM 0 HG21 ILE A 465 57.707 2.561 -4.415 1.00 1.00 H new ATOM 0 HG22 ILE A 465 57.030 1.206 -3.481 1.00 1.00 H new ATOM 0 HG23 ILE A 465 58.564 1.955 -2.978 1.00 1.00 H new ATOM 0 HD11 ILE A 465 60.547 2.855 -6.668 1.00 1.00 H new ATOM 0 HD12 ILE A 465 59.134 1.874 -7.126 1.00 1.00 H new ATOM 0 HD13 ILE A 465 58.977 3.133 -5.878 1.00 1.00 H new ATOM 593 N TYR A 466 59.263 -0.568 -1.472 1.00 1.00 N ATOM 594 CA TYR A 466 59.908 -0.278 -0.194 1.00 1.00 C ATOM 595 C TYR A 466 60.558 -1.536 0.371 1.00 1.00 C ATOM 596 O TYR A 466 61.263 -1.483 1.379 1.00 1.00 O ATOM 597 CB TYR A 466 58.887 0.260 0.808 1.00 1.00 C ATOM 598 CG TYR A 466 59.590 0.645 2.087 1.00 1.00 C ATOM 599 CD1 TYR A 466 60.300 1.851 2.160 1.00 1.00 C ATOM 600 CD2 TYR A 466 59.534 -0.202 3.200 1.00 1.00 C ATOM 601 CE1 TYR A 466 60.952 2.208 3.346 1.00 1.00 C ATOM 602 CE2 TYR A 466 60.187 0.155 4.385 1.00 1.00 C ATOM 603 CZ TYR A 466 60.896 1.360 4.459 1.00 1.00 C ATOM 604 OH TYR A 466 61.539 1.712 5.628 1.00 1.00 O ATOM 0 H TYR A 466 58.373 -1.062 -1.398 1.00 1.00 H new ATOM 0 HA TYR A 466 60.676 0.477 -0.364 1.00 1.00 H new ATOM 0 HB2 TYR A 466 58.372 1.125 0.389 1.00 1.00 H new ATOM 0 HB3 TYR A 466 58.128 -0.496 1.011 1.00 1.00 H new ATOM 0 HD1 TYR A 466 60.344 2.505 1.301 1.00 1.00 H new ATOM 0 HD2 TYR A 466 58.987 -1.131 3.144 1.00 1.00 H new ATOM 0 HE1 TYR A 466 61.498 3.138 3.403 1.00 1.00 H new ATOM 0 HE2 TYR A 466 60.144 -0.499 5.243 1.00 1.00 H new ATOM 0 HH TYR A 466 61.399 1.014 6.301 1.00 1.00 H new ATOM 614 N GLY A 467 60.313 -2.671 -0.280 1.00 1.00 N ATOM 615 CA GLY A 467 60.879 -3.937 0.176 1.00 1.00 C ATOM 616 C GLY A 467 60.058 -4.520 1.322 1.00 1.00 C ATOM 617 O GLY A 467 60.551 -5.345 2.093 1.00 1.00 O ATOM 0 H GLY A 467 59.733 -2.740 -1.116 1.00 1.00 H new ATOM 0 HA2 GLY A 467 60.909 -4.645 -0.652 1.00 1.00 H new ATOM 0 HA3 GLY A 467 61.908 -3.783 0.502 1.00 1.00 H new ATOM 621 N TYR A 468 58.807 -4.086 1.434 1.00 1.00 N ATOM 622 CA TYR A 468 57.934 -4.574 2.497 1.00 1.00 C ATOM 623 C TYR A 468 58.645 -4.503 3.845 1.00 1.00 C ATOM 624 O TYR A 468 58.771 -3.428 4.433 1.00 1.00 O ATOM 625 CB TYR A 468 57.522 -6.020 2.215 1.00 1.00 C ATOM 626 CG TYR A 468 56.709 -6.080 0.945 1.00 1.00 C ATOM 627 CD1 TYR A 468 55.344 -5.770 0.972 1.00 1.00 C ATOM 628 CD2 TYR A 468 57.319 -6.451 -0.260 1.00 1.00 C ATOM 629 CE1 TYR A 468 54.589 -5.830 -0.205 1.00 1.00 C ATOM 630 CE2 TYR A 468 56.564 -6.509 -1.437 1.00 1.00 C ATOM 631 CZ TYR A 468 55.199 -6.200 -1.410 1.00 1.00 C ATOM 632 OH TYR A 468 54.454 -6.259 -2.571 1.00 1.00 O ATOM 0 H TYR A 468 58.377 -3.404 0.809 1.00 1.00 H new ATOM 0 HA TYR A 468 57.046 -3.943 2.530 1.00 1.00 H new ATOM 0 HB2 TYR A 468 58.407 -6.649 2.121 1.00 1.00 H new ATOM 0 HB3 TYR A 468 56.940 -6.412 3.049 1.00 1.00 H new ATOM 0 HD1 TYR A 468 54.873 -5.484 1.901 1.00 1.00 H new ATOM 0 HD2 TYR A 468 58.372 -6.692 -0.281 1.00 1.00 H new ATOM 0 HE1 TYR A 468 53.536 -5.591 -0.184 1.00 1.00 H new ATOM 0 HE2 TYR A 468 57.035 -6.792 -2.367 1.00 1.00 H new ATOM 0 HH TYR A 468 55.030 -6.531 -3.316 1.00 1.00 H new ATOM 642 N ARG A 469 59.107 -5.655 4.326 1.00 1.00 N ATOM 643 CA ARG A 469 59.806 -5.720 5.606 1.00 1.00 C ATOM 644 C ARG A 469 61.188 -6.337 5.422 1.00 1.00 C ATOM 645 O ARG A 469 61.328 -7.401 4.819 1.00 1.00 O ATOM 646 CB ARG A 469 58.991 -6.557 6.599 1.00 1.00 C ATOM 647 CG ARG A 469 59.674 -6.550 7.971 1.00 1.00 C ATOM 648 CD ARG A 469 58.860 -7.402 8.946 1.00 1.00 C ATOM 649 NE ARG A 469 59.399 -7.277 10.295 1.00 1.00 N ATOM 650 CZ ARG A 469 59.072 -8.144 11.248 1.00 1.00 C ATOM 651 NH1 ARG A 469 58.258 -9.128 10.983 1.00 1.00 N ATOM 652 NH2 ARG A 469 59.567 -8.011 12.449 1.00 1.00 N ATOM 0 H ARG A 469 59.010 -6.552 3.851 1.00 1.00 H new ATOM 0 HA ARG A 469 59.922 -4.709 5.996 1.00 1.00 H new ATOM 0 HB2 ARG A 469 57.981 -6.155 6.684 1.00 1.00 H new ATOM 0 HB3 ARG A 469 58.898 -7.580 6.235 1.00 1.00 H new ATOM 0 HG2 ARG A 469 60.688 -6.941 7.887 1.00 1.00 H new ATOM 0 HG3 ARG A 469 59.756 -5.529 8.344 1.00 1.00 H new ATOM 0 HD2 ARG A 469 57.817 -7.086 8.933 1.00 1.00 H new ATOM 0 HD3 ARG A 469 58.881 -8.446 8.633 1.00 1.00 H new ATOM 0 HE ARG A 469 60.038 -6.512 10.511 1.00 1.00 H new ATOM 0 HH11 ARG A 469 57.872 -9.232 10.044 1.00 1.00 H new ATOM 0 HH12 ARG A 469 58.007 -9.793 11.714 1.00 1.00 H new ATOM 0 HH21 ARG A 469 60.204 -7.242 12.656 1.00 1.00 H new ATOM 0 HH22 ARG A 469 59.316 -8.676 13.181 1.00 1.00 H new ATOM 666 N LEU A 470 62.205 -5.660 5.949 1.00 1.00 N ATOM 667 CA LEU A 470 63.579 -6.145 5.844 1.00 1.00 C ATOM 668 C LEU A 470 64.107 -6.551 7.216 1.00 1.00 C ATOM 669 O LEU A 470 63.991 -5.798 8.183 1.00 1.00 O ATOM 670 CB LEU A 470 64.474 -5.051 5.257 1.00 1.00 C ATOM 671 CG LEU A 470 63.958 -4.641 3.874 1.00 1.00 C ATOM 672 CD1 LEU A 470 64.824 -3.506 3.326 1.00 1.00 C ATOM 673 CD2 LEU A 470 64.022 -5.836 2.917 1.00 1.00 C ATOM 0 H LEU A 470 62.105 -4.778 6.451 1.00 1.00 H new ATOM 0 HA LEU A 470 63.590 -7.016 5.188 1.00 1.00 H new ATOM 0 HB2 LEU A 470 64.489 -4.186 5.920 1.00 1.00 H new ATOM 0 HB3 LEU A 470 65.500 -5.411 5.180 1.00 1.00 H new ATOM 0 HG LEU A 470 62.924 -4.307 3.962 1.00 1.00 H new ATOM 0 HD11 LEU A 470 64.459 -3.212 2.342 1.00 1.00 H new ATOM 0 HD12 LEU A 470 64.774 -2.652 4.001 1.00 1.00 H new ATOM 0 HD13 LEU A 470 65.857 -3.844 3.244 1.00 1.00 H new ATOM 0 HD21 LEU A 470 63.653 -5.537 1.936 1.00 1.00 H new ATOM 0 HD22 LEU A 470 65.054 -6.177 2.829 1.00 1.00 H new ATOM 0 HD23 LEU A 470 63.404 -6.646 3.305 1.00 1.00 H new ATOM 685 N ARG A 471 64.688 -7.743 7.292 1.00 1.00 N ATOM 686 CA ARG A 471 65.231 -8.235 8.553 1.00 1.00 C ATOM 687 C ARG A 471 66.399 -7.362 9.008 1.00 1.00 C ATOM 688 O ARG A 471 66.568 -7.114 10.202 1.00 1.00 O ATOM 689 CB ARG A 471 65.671 -9.697 8.410 1.00 1.00 C ATOM 690 CG ARG A 471 66.847 -9.808 7.435 1.00 1.00 C ATOM 691 CD ARG A 471 67.247 -11.276 7.288 1.00 1.00 C ATOM 692 NE ARG A 471 68.388 -11.401 6.387 1.00 1.00 N ATOM 693 CZ ARG A 471 68.222 -11.569 5.077 1.00 1.00 C ATOM 694 NH1 ARG A 471 67.021 -11.600 4.566 1.00 1.00 N ATOM 695 NH2 ARG A 471 69.263 -11.693 4.301 1.00 1.00 N ATOM 0 H ARG A 471 64.795 -8.381 6.504 1.00 1.00 H new ATOM 0 HA ARG A 471 64.450 -8.184 9.312 1.00 1.00 H new ATOM 0 HB2 ARG A 471 65.959 -10.094 9.384 1.00 1.00 H new ATOM 0 HB3 ARG A 471 64.837 -10.301 8.054 1.00 1.00 H new ATOM 0 HG2 ARG A 471 66.569 -9.396 6.465 1.00 1.00 H new ATOM 0 HG3 ARG A 471 67.692 -9.224 7.799 1.00 1.00 H new ATOM 0 HD2 ARG A 471 67.498 -11.691 8.264 1.00 1.00 H new ATOM 0 HD3 ARG A 471 66.406 -11.853 6.903 1.00 1.00 H new ATOM 0 HE ARG A 471 69.333 -11.359 6.769 1.00 1.00 H new ATOM 0 HH11 ARG A 471 66.206 -11.495 5.171 1.00 1.00 H new ATOM 0 HH12 ARG A 471 66.897 -11.729 3.562 1.00 1.00 H new ATOM 0 HH21 ARG A 471 70.202 -11.661 4.698 1.00 1.00 H new ATOM 0 HH22 ARG A 471 69.138 -11.822 3.297 1.00 1.00 H new ATOM 709 N ARG A 472 67.200 -6.896 8.053 1.00 1.00 N ATOM 710 CA ARG A 472 68.343 -6.050 8.381 1.00 1.00 C ATOM 711 C ARG A 472 67.869 -4.673 8.837 1.00 1.00 C ATOM 712 O ARG A 472 66.872 -4.152 8.335 1.00 1.00 O ATOM 713 CB ARG A 472 69.254 -5.884 7.159 1.00 1.00 C ATOM 714 CG ARG A 472 69.896 -7.224 6.799 1.00 1.00 C ATOM 715 CD ARG A 472 70.787 -7.048 5.569 1.00 1.00 C ATOM 716 NE ARG A 472 69.971 -6.767 4.394 1.00 1.00 N ATOM 717 CZ ARG A 472 70.526 -6.554 3.206 1.00 1.00 C ATOM 718 NH1 ARG A 472 71.825 -6.593 3.076 1.00 1.00 N ATOM 719 NH2 ARG A 472 69.774 -6.305 2.170 1.00 1.00 N ATOM 0 H ARG A 472 67.081 -7.087 7.058 1.00 1.00 H new ATOM 0 HA ARG A 472 68.899 -6.530 9.186 1.00 1.00 H new ATOM 0 HB2 ARG A 472 68.677 -5.509 6.314 1.00 1.00 H new ATOM 0 HB3 ARG A 472 70.028 -5.146 7.370 1.00 1.00 H new ATOM 0 HG2 ARG A 472 70.485 -7.594 7.638 1.00 1.00 H new ATOM 0 HG3 ARG A 472 69.124 -7.967 6.599 1.00 1.00 H new ATOM 0 HD2 ARG A 472 71.492 -6.233 5.735 1.00 1.00 H new ATOM 0 HD3 ARG A 472 71.376 -7.951 5.405 1.00 1.00 H new ATOM 0 HE ARG A 472 68.956 -6.733 4.486 1.00 1.00 H new ATOM 0 HH11 ARG A 472 72.413 -6.787 3.887 1.00 1.00 H new ATOM 0 HH12 ARG A 472 72.251 -6.430 2.164 1.00 1.00 H new ATOM 0 HH21 ARG A 472 68.760 -6.274 2.272 1.00 1.00 H new ATOM 0 HH22 ARG A 472 70.200 -6.141 1.258 1.00 1.00 H new ATOM 733 N LYS A 473 68.586 -4.087 9.790 1.00 1.00 N ATOM 734 CA LYS A 473 68.223 -2.769 10.301 1.00 1.00 C ATOM 735 C LYS A 473 68.980 -1.680 9.546 1.00 1.00 C ATOM 736 O LYS A 473 70.050 -1.307 9.999 1.00 1.00 O ATOM 737 CB LYS A 473 68.543 -2.679 11.796 1.00 1.00 C ATOM 738 CG LYS A 473 68.036 -1.346 12.352 1.00 1.00 C ATOM 739 CD LYS A 473 68.277 -1.295 13.862 1.00 1.00 C ATOM 740 CE LYS A 473 67.736 0.022 14.423 1.00 1.00 C ATOM 741 NZ LYS A 473 68.550 1.153 13.897 1.00 1.00 N ATOM 742 OXT LYS A 473 68.481 -1.239 8.523 1.00 1.00 O ATOM 0 H LYS A 473 69.414 -4.498 10.221 1.00 1.00 H new ATOM 0 HA LYS A 473 67.153 -2.622 10.154 1.00 1.00 H new ATOM 0 HB2 LYS A 473 68.076 -3.508 12.328 1.00 1.00 H new ATOM 0 HB3 LYS A 473 69.618 -2.765 11.954 1.00 1.00 H new ATOM 0 HG2 LYS A 473 68.549 -0.518 11.863 1.00 1.00 H new ATOM 0 HG3 LYS A 473 66.973 -1.232 12.139 1.00 1.00 H new ATOM 0 HD2 LYS A 473 67.786 -2.138 14.348 1.00 1.00 H new ATOM 0 HD3 LYS A 473 69.343 -1.382 14.074 1.00 1.00 H new ATOM 0 HE2 LYS A 473 66.691 0.149 14.140 1.00 1.00 H new ATOM 0 HE3 LYS A 473 67.772 0.009 15.512 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 68.399 1.994 14.489 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 69.557 0.894 13.915 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 68.263 1.362 12.919 1.00 1.00 H new TER 756 LYS A 473