USER MOD reduce.3.24.130724 H: found=0, std=0, add=393, rem=0, adj=8 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 180:sc= 0.00593 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 157:sc= -0.117 (180deg=-0.863) USER MOD Single : A 453 THR OG1 : rot 57:sc= 1.24 USER MOD Single : A 463 CYS SG : rot -38:sc= -0.35 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 8.164 28.012 -11.303 1.00 1.00 N ATOM 2 CA GLY A 430 7.641 28.328 -9.943 1.00 1.00 C ATOM 3 C GLY A 430 8.155 27.296 -8.946 1.00 1.00 C ATOM 4 O GLY A 430 7.729 27.271 -7.791 1.00 1.00 O ATOM 0 HA2 GLY A 430 7.958 29.327 -9.644 1.00 1.00 H new ATOM 0 HA3 GLY A 430 6.551 28.328 -9.952 1.00 1.00 H new ATOM 10 N LYS A 431 9.071 26.446 -9.402 1.00 1.00 N ATOM 11 CA LYS A 431 9.638 25.412 -8.541 1.00 1.00 C ATOM 12 C LYS A 431 11.076 25.769 -8.176 1.00 1.00 C ATOM 13 O LYS A 431 11.800 26.366 -8.972 1.00 1.00 O ATOM 14 CB LYS A 431 9.626 24.059 -9.267 1.00 1.00 C ATOM 15 CG LYS A 431 8.200 23.649 -9.691 1.00 1.00 C ATOM 16 CD LYS A 431 7.305 23.366 -8.474 1.00 1.00 C ATOM 17 CE LYS A 431 5.921 22.931 -8.963 1.00 1.00 C ATOM 18 NZ LYS A 431 5.053 22.631 -7.790 1.00 1.00 N ATOM 0 H LYS A 431 9.434 26.452 -10.355 1.00 1.00 H new ATOM 0 HA LYS A 431 9.037 25.345 -7.634 1.00 1.00 H new ATOM 0 HB2 LYS A 431 10.266 24.113 -10.148 1.00 1.00 H new ATOM 0 HB3 LYS A 431 10.046 23.293 -8.615 1.00 1.00 H new ATOM 0 HG2 LYS A 431 7.757 24.443 -10.292 1.00 1.00 H new ATOM 0 HG3 LYS A 431 8.249 22.761 -10.321 1.00 1.00 H new ATOM 0 HD2 LYS A 431 7.748 22.586 -7.855 1.00 1.00 H new ATOM 0 HD3 LYS A 431 7.222 24.258 -7.853 1.00 1.00 H new ATOM 0 HE2 LYS A 431 5.473 23.719 -9.569 1.00 1.00 H new ATOM 0 HE3 LYS A 431 6.008 22.050 -9.599 1.00 1.00 H new ATOM 0 HZ1 LYS A 431 4.112 22.335 -8.121 1.00 1.00 H new ATOM 0 HZ2 LYS A 431 5.479 21.866 -7.229 1.00 1.00 H new ATOM 0 HZ3 LYS A 431 4.961 23.482 -7.200 1.00 1.00 H new ATOM 32 N ARG A 432 11.482 25.397 -6.967 1.00 1.00 N ATOM 33 CA ARG A 432 12.835 25.680 -6.505 1.00 1.00 C ATOM 34 C ARG A 432 13.836 24.741 -7.170 1.00 1.00 C ATOM 35 O ARG A 432 13.525 23.583 -7.448 1.00 1.00 O ATOM 36 CB ARG A 432 12.913 25.520 -4.984 1.00 1.00 C ATOM 37 CG ARG A 432 12.028 26.573 -4.313 1.00 1.00 C ATOM 38 CD ARG A 432 12.026 26.347 -2.800 1.00 1.00 C ATOM 39 NE ARG A 432 13.360 26.567 -2.255 1.00 1.00 N ATOM 40 CZ ARG A 432 13.626 26.333 -0.974 1.00 1.00 C ATOM 41 NH1 ARG A 432 12.685 25.899 -0.181 1.00 1.00 N ATOM 42 NH2 ARG A 432 14.828 26.539 -0.510 1.00 1.00 N ATOM 0 H ARG A 432 10.898 24.902 -6.293 1.00 1.00 H new ATOM 0 HA ARG A 432 13.083 26.707 -6.775 1.00 1.00 H new ATOM 0 HB2 ARG A 432 12.589 24.520 -4.696 1.00 1.00 H new ATOM 0 HB3 ARG A 432 13.944 25.629 -4.649 1.00 1.00 H new ATOM 0 HG2 ARG A 432 12.397 27.573 -4.542 1.00 1.00 H new ATOM 0 HG3 ARG A 432 11.012 26.511 -4.702 1.00 1.00 H new ATOM 0 HD2 ARG A 432 11.315 27.023 -2.325 1.00 1.00 H new ATOM 0 HD3 ARG A 432 11.697 25.332 -2.577 1.00 1.00 H new ATOM 0 HE ARG A 432 14.102 26.906 -2.867 1.00 1.00 H new ATOM 0 HH11 ARG A 432 11.745 25.739 -0.544 1.00 1.00 H new ATOM 0 HH12 ARG A 432 12.889 25.719 0.802 1.00 1.00 H new ATOM 0 HH21 ARG A 432 15.563 26.879 -1.130 1.00 1.00 H new ATOM 0 HH22 ARG A 432 15.033 26.360 0.473 1.00 1.00 H new ATOM 56 N SER A 433 15.038 25.247 -7.422 1.00 1.00 N ATOM 57 CA SER A 433 16.077 24.444 -8.057 1.00 1.00 C ATOM 58 C SER A 433 16.665 23.450 -7.062 1.00 1.00 C ATOM 59 O SER A 433 16.511 23.607 -5.850 1.00 1.00 O ATOM 60 CB SER A 433 17.185 25.351 -8.592 1.00 1.00 C ATOM 61 OG SER A 433 17.612 26.228 -7.559 1.00 1.00 O ATOM 0 H SER A 433 15.316 26.203 -7.198 1.00 1.00 H new ATOM 0 HA SER A 433 15.630 23.893 -8.884 1.00 1.00 H new ATOM 0 HB2 SER A 433 18.024 24.751 -8.945 1.00 1.00 H new ATOM 0 HB3 SER A 433 16.822 25.924 -9.445 1.00 1.00 H new ATOM 0 HG SER A 433 18.324 26.810 -7.898 1.00 1.00 H new ATOM 67 N TRP A 434 17.335 22.426 -7.583 1.00 1.00 N ATOM 68 CA TRP A 434 17.941 21.405 -6.734 1.00 1.00 C ATOM 69 C TRP A 434 19.462 21.526 -6.745 1.00 1.00 C ATOM 70 O TRP A 434 20.063 21.837 -7.774 1.00 1.00 O ATOM 71 CB TRP A 434 17.537 20.013 -7.225 1.00 1.00 C ATOM 72 CG TRP A 434 16.066 19.823 -7.025 1.00 1.00 C ATOM 73 CD1 TRP A 434 15.136 19.874 -8.006 1.00 1.00 C ATOM 74 CD2 TRP A 434 15.344 19.553 -5.789 1.00 1.00 C ATOM 75 NE1 TRP A 434 13.889 19.653 -7.450 1.00 1.00 N ATOM 76 CE2 TRP A 434 13.965 19.450 -6.086 1.00 1.00 C ATOM 77 CE3 TRP A 434 15.747 19.390 -4.451 1.00 1.00 C ATOM 78 CZ2 TRP A 434 13.019 19.194 -5.093 1.00 1.00 C ATOM 79 CZ3 TRP A 434 14.799 19.133 -3.449 1.00 1.00 C ATOM 80 CH2 TRP A 434 13.437 19.034 -3.769 1.00 1.00 C ATOM 0 H TRP A 434 17.472 22.281 -8.583 1.00 1.00 H new ATOM 0 HA TRP A 434 17.585 21.552 -5.714 1.00 1.00 H new ATOM 0 HB2 TRP A 434 17.789 19.900 -8.279 1.00 1.00 H new ATOM 0 HB3 TRP A 434 18.091 19.248 -6.681 1.00 1.00 H new ATOM 0 HD1 TRP A 434 15.335 20.057 -9.052 1.00 1.00 H new ATOM 0 HE1 TRP A 434 13.019 19.641 -7.983 1.00 1.00 H new ATOM 0 HE3 TRP A 434 16.793 19.463 -4.193 1.00 1.00 H new ATOM 0 HZ2 TRP A 434 11.972 19.120 -5.346 1.00 1.00 H new ATOM 0 HZ3 TRP A 434 15.120 19.011 -2.425 1.00 1.00 H new ATOM 0 HH2 TRP A 434 12.712 18.834 -2.993 1.00 1.00 H new ATOM 91 N ASP A 435 20.075 21.278 -5.592 1.00 1.00 N ATOM 92 CA ASP A 435 21.526 21.358 -5.474 1.00 1.00 C ATOM 93 C ASP A 435 22.162 20.003 -5.769 1.00 1.00 C ATOM 94 O ASP A 435 21.972 19.043 -5.022 1.00 1.00 O ATOM 95 CB ASP A 435 21.911 21.813 -4.066 1.00 1.00 C ATOM 96 CG ASP A 435 23.425 21.957 -3.960 1.00 1.00 C ATOM 97 OD1 ASP A 435 24.102 21.586 -4.906 1.00 1.00 O ATOM 98 OD2 ASP A 435 23.885 22.437 -2.938 1.00 1.00 O ATOM 0 H ASP A 435 19.593 21.021 -4.731 1.00 1.00 H new ATOM 0 HA ASP A 435 21.893 22.083 -6.200 1.00 1.00 H new ATOM 0 HB2 ASP A 435 21.430 22.764 -3.838 1.00 1.00 H new ATOM 0 HB3 ASP A 435 21.554 21.091 -3.331 1.00 1.00 H new ATOM 103 N THR A 436 22.912 19.932 -6.863 1.00 1.00 N ATOM 104 CA THR A 436 23.566 18.686 -7.249 1.00 1.00 C ATOM 105 C THR A 436 24.622 18.291 -6.221 1.00 1.00 C ATOM 106 O THR A 436 24.841 17.106 -5.969 1.00 1.00 O ATOM 107 CB THR A 436 24.225 18.846 -8.621 1.00 1.00 C ATOM 108 OG1 THR A 436 25.113 19.956 -8.591 1.00 1.00 O ATOM 109 CG2 THR A 436 23.150 19.080 -9.684 1.00 1.00 C ATOM 0 H THR A 436 23.082 20.715 -7.494 1.00 1.00 H new ATOM 0 HA THR A 436 22.810 17.902 -7.296 1.00 1.00 H new ATOM 0 HB THR A 436 24.781 17.940 -8.864 1.00 1.00 H new ATOM 0 HG1 THR A 436 25.537 20.059 -9.468 1.00 1.00 H new ATOM 0 HG21 THR A 436 23.622 19.194 -10.660 1.00 1.00 H new ATOM 0 HG22 THR A 436 22.470 18.229 -9.707 1.00 1.00 H new ATOM 0 HG23 THR A 436 22.591 19.985 -9.444 1.00 1.00 H new ATOM 117 N GLU A 437 25.269 19.292 -5.628 1.00 1.00 N ATOM 118 CA GLU A 437 26.300 19.039 -4.623 1.00 1.00 C ATOM 119 C GLU A 437 25.817 19.492 -3.249 1.00 1.00 C ATOM 120 O GLU A 437 25.512 20.666 -3.045 1.00 1.00 O ATOM 121 CB GLU A 437 27.580 19.792 -4.995 1.00 1.00 C ATOM 122 CG GLU A 437 28.686 19.466 -3.988 1.00 1.00 C ATOM 123 CD GLU A 437 29.976 20.174 -4.387 1.00 1.00 C ATOM 124 OE1 GLU A 437 30.053 20.632 -5.514 1.00 1.00 O ATOM 125 OE2 GLU A 437 30.869 20.247 -3.557 1.00 1.00 O ATOM 0 H GLU A 437 25.100 20.279 -5.824 1.00 1.00 H new ATOM 0 HA GLU A 437 26.507 17.969 -4.590 1.00 1.00 H new ATOM 0 HB2 GLU A 437 27.897 19.514 -6.000 1.00 1.00 H new ATOM 0 HB3 GLU A 437 27.391 20.865 -5.006 1.00 1.00 H new ATOM 0 HG2 GLU A 437 28.384 19.779 -2.989 1.00 1.00 H new ATOM 0 HG3 GLU A 437 28.849 18.389 -3.950 1.00 1.00 H new ATOM 132 N SER A 438 25.751 18.555 -2.309 1.00 1.00 N ATOM 133 CA SER A 438 25.301 18.876 -0.959 1.00 1.00 C ATOM 134 C SER A 438 26.362 19.673 -0.208 1.00 1.00 C ATOM 135 O SER A 438 27.559 19.426 -0.353 1.00 1.00 O ATOM 136 CB SER A 438 24.992 17.590 -0.193 1.00 1.00 C ATOM 137 OG SER A 438 23.736 17.080 -0.622 1.00 1.00 O ATOM 0 H SER A 438 26.001 17.577 -2.454 1.00 1.00 H new ATOM 0 HA SER A 438 24.398 19.482 -1.036 1.00 1.00 H new ATOM 0 HB2 SER A 438 25.776 16.852 -0.366 1.00 1.00 H new ATOM 0 HB3 SER A 438 24.971 17.787 0.879 1.00 1.00 H new ATOM 0 HG SER A 438 23.535 16.254 -0.134 1.00 1.00 H new ATOM 143 N VAL A 439 25.912 20.627 0.598 1.00 1.00 N ATOM 144 CA VAL A 439 26.826 21.455 1.377 1.00 1.00 C ATOM 145 C VAL A 439 27.570 20.618 2.415 1.00 1.00 C ATOM 146 O VAL A 439 28.765 20.808 2.639 1.00 1.00 O ATOM 147 CB VAL A 439 26.049 22.571 2.078 1.00 1.00 C ATOM 148 CG1 VAL A 439 25.304 23.408 1.037 1.00 1.00 C ATOM 149 CG2 VAL A 439 25.041 21.959 3.054 1.00 1.00 C ATOM 0 H VAL A 439 24.925 20.846 0.729 1.00 1.00 H new ATOM 0 HA VAL A 439 27.556 21.891 0.695 1.00 1.00 H new ATOM 0 HB VAL A 439 26.745 23.206 2.625 1.00 1.00 H new ATOM 0 HG11 VAL A 439 24.751 24.203 1.537 1.00 1.00 H new ATOM 0 HG12 VAL A 439 26.020 23.846 0.342 1.00 1.00 H new ATOM 0 HG13 VAL A 439 24.609 22.772 0.488 1.00 1.00 H new ATOM 0 HG21 VAL A 439 24.488 22.755 3.553 1.00 1.00 H new ATOM 0 HG22 VAL A 439 24.346 21.322 2.507 1.00 1.00 H new ATOM 0 HG23 VAL A 439 25.570 21.364 3.798 1.00 1.00 H new ATOM 159 N LEU A 440 26.849 19.703 3.059 1.00 1.00 N ATOM 160 CA LEU A 440 27.442 18.855 4.088 1.00 1.00 C ATOM 161 C LEU A 440 28.690 18.129 3.559 1.00 1.00 C ATOM 162 O LEU A 440 28.732 17.753 2.390 1.00 1.00 O ATOM 163 CB LEU A 440 26.418 17.819 4.561 1.00 1.00 C ATOM 164 CG LEU A 440 25.791 18.276 5.880 1.00 1.00 C ATOM 165 CD1 LEU A 440 25.102 19.627 5.683 1.00 1.00 C ATOM 166 CD2 LEU A 440 24.757 17.243 6.335 1.00 1.00 C ATOM 0 H LEU A 440 25.858 19.531 2.887 1.00 1.00 H new ATOM 0 HA LEU A 440 27.738 19.493 4.921 1.00 1.00 H new ATOM 0 HB2 LEU A 440 25.643 17.688 3.805 1.00 1.00 H new ATOM 0 HB3 LEU A 440 26.901 16.851 4.693 1.00 1.00 H new ATOM 0 HG LEU A 440 26.571 18.374 6.635 1.00 1.00 H new ATOM 0 HD11 LEU A 440 24.657 19.949 6.624 1.00 1.00 H new ATOM 0 HD12 LEU A 440 25.835 20.365 5.357 1.00 1.00 H new ATOM 0 HD13 LEU A 440 24.323 19.531 4.927 1.00 1.00 H new ATOM 0 HD21 LEU A 440 24.309 17.566 7.275 1.00 1.00 H new ATOM 0 HD22 LEU A 440 23.980 17.147 5.576 1.00 1.00 H new ATOM 0 HD23 LEU A 440 25.245 16.279 6.478 1.00 1.00 H new ATOM 178 N PRO A 441 29.695 17.908 4.384 1.00 1.00 N ATOM 179 CA PRO A 441 30.941 17.195 3.964 1.00 1.00 C ATOM 180 C PRO A 441 30.777 15.673 3.991 1.00 1.00 C ATOM 181 O PRO A 441 31.717 14.931 3.705 1.00 1.00 O ATOM 182 CB PRO A 441 31.959 17.634 5.010 1.00 1.00 C ATOM 183 CG PRO A 441 31.159 17.827 6.253 1.00 1.00 C ATOM 184 CD PRO A 441 29.778 18.314 5.805 1.00 1.00 C ATOM 0 HA PRO A 441 31.224 17.434 2.939 1.00 1.00 H new ATOM 0 HB2 PRO A 441 32.734 16.880 5.150 1.00 1.00 H new ATOM 0 HB3 PRO A 441 32.460 18.555 4.714 1.00 1.00 H new ATOM 0 HG2 PRO A 441 31.080 16.895 6.813 1.00 1.00 H new ATOM 0 HG3 PRO A 441 31.633 18.555 6.911 1.00 1.00 H new ATOM 0 HD2 PRO A 441 28.984 17.859 6.397 1.00 1.00 H new ATOM 0 HD3 PRO A 441 29.680 19.394 5.917 1.00 1.00 H new ATOM 192 N MET A 442 29.591 15.216 4.377 1.00 1.00 N ATOM 193 CA MET A 442 29.334 13.782 4.486 1.00 1.00 C ATOM 194 C MET A 442 29.460 13.064 3.141 1.00 1.00 C ATOM 195 O MET A 442 30.011 11.965 3.077 1.00 1.00 O ATOM 196 CB MET A 442 27.930 13.554 5.048 1.00 1.00 C ATOM 197 CG MET A 442 27.924 13.857 6.548 1.00 1.00 C ATOM 198 SD MET A 442 26.240 13.695 7.194 1.00 1.00 S ATOM 199 CE MET A 442 26.085 11.899 7.019 1.00 1.00 C ATOM 0 H MET A 442 28.798 15.810 4.618 1.00 1.00 H new ATOM 0 HA MET A 442 30.087 13.367 5.156 1.00 1.00 H new ATOM 0 HB2 MET A 442 27.213 14.194 4.534 1.00 1.00 H new ATOM 0 HB3 MET A 442 27.620 12.524 4.873 1.00 1.00 H new ATOM 0 HG2 MET A 442 28.592 13.172 7.070 1.00 1.00 H new ATOM 0 HG3 MET A 442 28.298 14.865 6.727 1.00 1.00 H new ATOM 0 HE1 MET A 442 25.324 11.531 7.707 1.00 1.00 H new ATOM 0 HE2 MET A 442 25.797 11.657 5.996 1.00 1.00 H new ATOM 0 HE3 MET A 442 27.040 11.427 7.248 1.00 1.00 H new ATOM 209 N TRP A 443 28.955 13.665 2.067 1.00 1.00 N ATOM 210 CA TRP A 443 29.043 13.020 0.760 1.00 1.00 C ATOM 211 C TRP A 443 30.500 12.908 0.317 1.00 1.00 C ATOM 212 O TRP A 443 30.885 11.935 -0.331 1.00 1.00 O ATOM 213 CB TRP A 443 28.216 13.779 -0.286 1.00 1.00 C ATOM 214 CG TRP A 443 28.662 15.202 -0.382 1.00 1.00 C ATOM 215 CD1 TRP A 443 28.181 16.216 0.368 1.00 1.00 C ATOM 216 CD2 TRP A 443 29.632 15.791 -1.296 1.00 1.00 C ATOM 217 NE1 TRP A 443 28.813 17.388 -0.006 1.00 1.00 N ATOM 218 CE2 TRP A 443 29.712 17.179 -1.032 1.00 1.00 C ATOM 219 CE3 TRP A 443 30.447 15.260 -2.311 1.00 1.00 C ATOM 220 CZ2 TRP A 443 30.571 18.012 -1.750 1.00 1.00 C ATOM 221 CZ3 TRP A 443 31.311 16.096 -3.038 1.00 1.00 C ATOM 222 CH2 TRP A 443 31.372 17.468 -2.758 1.00 1.00 C ATOM 0 H TRP A 443 28.492 14.574 2.072 1.00 1.00 H new ATOM 0 HA TRP A 443 28.630 12.015 0.849 1.00 1.00 H new ATOM 0 HB2 TRP A 443 28.317 13.295 -1.257 1.00 1.00 H new ATOM 0 HB3 TRP A 443 27.160 13.741 -0.019 1.00 1.00 H new ATOM 0 HD1 TRP A 443 27.426 16.127 1.135 1.00 1.00 H new ATOM 0 HE1 TRP A 443 28.636 18.296 0.424 1.00 1.00 H new ATOM 0 HE3 TRP A 443 30.409 14.204 -2.533 1.00 1.00 H new ATOM 0 HZ2 TRP A 443 30.617 19.068 -1.529 1.00 1.00 H new ATOM 0 HZ3 TRP A 443 31.932 15.679 -3.817 1.00 1.00 H new ATOM 0 HH2 TRP A 443 32.038 18.105 -3.321 1.00 1.00 H new ATOM 233 N VAL A 444 31.310 13.895 0.686 1.00 1.00 N ATOM 234 CA VAL A 444 32.728 13.883 0.332 1.00 1.00 C ATOM 235 C VAL A 444 33.415 12.689 0.982 1.00 1.00 C ATOM 236 O VAL A 444 34.215 11.992 0.352 1.00 1.00 O ATOM 237 CB VAL A 444 33.415 15.167 0.808 1.00 1.00 C ATOM 238 CG1 VAL A 444 34.926 15.038 0.612 1.00 1.00 C ATOM 239 CG2 VAL A 444 32.904 16.360 -0.001 1.00 1.00 C ATOM 0 H VAL A 444 31.014 14.708 1.226 1.00 1.00 H new ATOM 0 HA VAL A 444 32.806 13.814 -0.753 1.00 1.00 H new ATOM 0 HB VAL A 444 33.191 15.322 1.863 1.00 1.00 H new ATOM 0 HG11 VAL A 444 35.416 15.951 0.950 1.00 1.00 H new ATOM 0 HG12 VAL A 444 35.297 14.192 1.190 1.00 1.00 H new ATOM 0 HG13 VAL A 444 35.144 14.879 -0.444 1.00 1.00 H new ATOM 0 HG21 VAL A 444 33.396 17.270 0.342 1.00 1.00 H new ATOM 0 HG22 VAL A 444 33.124 16.205 -1.057 1.00 1.00 H new ATOM 0 HG23 VAL A 444 31.827 16.457 0.135 1.00 1.00 H new ATOM 249 N LEU A 445 33.099 12.475 2.250 1.00 1.00 N ATOM 250 CA LEU A 445 33.687 11.379 3.007 1.00 1.00 C ATOM 251 C LEU A 445 33.307 10.037 2.391 1.00 1.00 C ATOM 252 O LEU A 445 34.110 9.106 2.333 1.00 1.00 O ATOM 253 CB LEU A 445 33.208 11.432 4.463 1.00 1.00 C ATOM 254 CG LEU A 445 33.814 12.655 5.168 1.00 1.00 C ATOM 255 CD1 LEU A 445 33.174 12.824 6.549 1.00 1.00 C ATOM 256 CD2 LEU A 445 35.330 12.484 5.333 1.00 1.00 C ATOM 0 H LEU A 445 32.438 13.046 2.777 1.00 1.00 H new ATOM 0 HA LEU A 445 34.772 11.483 2.978 1.00 1.00 H new ATOM 0 HB2 LEU A 445 32.120 11.485 4.495 1.00 1.00 H new ATOM 0 HB3 LEU A 445 33.499 10.520 4.984 1.00 1.00 H new ATOM 0 HG LEU A 445 33.620 13.538 4.559 1.00 1.00 H new ATOM 0 HD11 LEU A 445 33.606 13.692 7.046 1.00 1.00 H new ATOM 0 HD12 LEU A 445 32.099 12.967 6.437 1.00 1.00 H new ATOM 0 HD13 LEU A 445 33.361 11.933 7.148 1.00 1.00 H new ATOM 0 HD21 LEU A 445 35.743 13.360 5.834 1.00 1.00 H new ATOM 0 HD22 LEU A 445 35.533 11.595 5.930 1.00 1.00 H new ATOM 0 HD23 LEU A 445 35.793 12.376 4.352 1.00 1.00 H new ATOM 268 N ALA A 446 32.049 9.950 1.973 1.00 1.00 N ATOM 269 CA ALA A 446 31.510 8.721 1.397 1.00 1.00 C ATOM 270 C ALA A 446 32.220 8.311 0.105 1.00 1.00 C ATOM 271 O ALA A 446 32.497 7.132 -0.110 1.00 1.00 O ATOM 272 CB ALA A 446 30.029 8.912 1.112 1.00 1.00 C ATOM 0 H ALA A 446 31.380 10.719 2.022 1.00 1.00 H new ATOM 0 HA ALA A 446 31.671 7.924 2.123 1.00 1.00 H new ATOM 0 HB1 ALA A 446 29.620 7.998 0.682 1.00 1.00 H new ATOM 0 HB2 ALA A 446 29.506 9.141 2.041 1.00 1.00 H new ATOM 0 HB3 ALA A 446 29.897 9.734 0.409 1.00 1.00 H new ATOM 278 N LEU A 447 32.519 9.292 -0.746 1.00 1.00 N ATOM 279 CA LEU A 447 33.208 9.021 -2.006 1.00 1.00 C ATOM 280 C LEU A 447 34.598 8.439 -1.741 1.00 1.00 C ATOM 281 O LEU A 447 35.040 7.522 -2.431 1.00 1.00 O ATOM 282 CB LEU A 447 33.334 10.303 -2.847 1.00 1.00 C ATOM 283 CG LEU A 447 32.100 10.514 -3.745 1.00 1.00 C ATOM 284 CD1 LEU A 447 30.864 10.879 -2.922 1.00 1.00 C ATOM 285 CD2 LEU A 447 32.393 11.649 -4.726 1.00 1.00 C ATOM 0 H LEU A 447 32.297 10.275 -0.587 1.00 1.00 H new ATOM 0 HA LEU A 447 32.617 8.294 -2.563 1.00 1.00 H new ATOM 0 HB2 LEU A 447 33.456 11.162 -2.187 1.00 1.00 H new ATOM 0 HB3 LEU A 447 34.230 10.247 -3.465 1.00 1.00 H new ATOM 0 HG LEU A 447 31.897 9.583 -4.274 1.00 1.00 H new ATOM 0 HD11 LEU A 447 30.012 11.021 -3.588 1.00 1.00 H new ATOM 0 HD12 LEU A 447 30.645 10.076 -2.218 1.00 1.00 H new ATOM 0 HD13 LEU A 447 31.052 11.801 -2.372 1.00 1.00 H new ATOM 0 HD21 LEU A 447 31.526 11.808 -5.368 1.00 1.00 H new ATOM 0 HD22 LEU A 447 32.607 12.563 -4.172 1.00 1.00 H new ATOM 0 HD23 LEU A 447 33.255 11.386 -5.339 1.00 1.00 H new ATOM 297 N ILE A 448 35.288 8.986 -0.739 1.00 1.00 N ATOM 298 CA ILE A 448 36.643 8.533 -0.405 1.00 1.00 C ATOM 299 C ILE A 448 36.619 7.051 -0.005 1.00 1.00 C ATOM 300 O ILE A 448 37.465 6.268 -0.433 1.00 1.00 O ATOM 301 CB ILE A 448 37.230 9.353 0.746 1.00 1.00 C ATOM 302 CG1 ILE A 448 37.439 10.795 0.273 1.00 1.00 C ATOM 303 CG2 ILE A 448 38.585 8.743 1.135 1.00 1.00 C ATOM 304 CD1 ILE A 448 37.804 11.695 1.455 1.00 1.00 C ATOM 0 H ILE A 448 34.936 9.738 -0.147 1.00 1.00 H new ATOM 0 HA ILE A 448 37.268 8.669 -1.288 1.00 1.00 H new ATOM 0 HB ILE A 448 36.556 9.344 1.603 1.00 1.00 H new ATOM 0 HG12 ILE A 448 38.230 10.828 -0.476 1.00 1.00 H new ATOM 0 HG13 ILE A 448 36.532 11.163 -0.206 1.00 1.00 H new ATOM 0 HG21 ILE A 448 39.019 9.315 1.955 1.00 1.00 H new ATOM 0 HG22 ILE A 448 38.442 7.709 1.449 1.00 1.00 H new ATOM 0 HG23 ILE A 448 39.257 8.772 0.277 1.00 1.00 H new ATOM 0 HD11 ILE A 448 37.949 12.716 1.103 1.00 1.00 H new ATOM 0 HD12 ILE A 448 36.999 11.675 2.190 1.00 1.00 H new ATOM 0 HD13 ILE A 448 38.724 11.335 1.916 1.00 1.00 H new ATOM 316 N VAL A 449 35.626 6.673 0.798 1.00 1.00 N ATOM 317 CA VAL A 449 35.487 5.286 1.229 1.00 1.00 C ATOM 318 C VAL A 449 35.310 4.370 0.019 1.00 1.00 C ATOM 319 O VAL A 449 35.902 3.292 -0.044 1.00 1.00 O ATOM 320 CB VAL A 449 34.285 5.150 2.161 1.00 1.00 C ATOM 321 CG1 VAL A 449 34.060 3.671 2.473 1.00 1.00 C ATOM 322 CG2 VAL A 449 34.574 5.919 3.453 1.00 1.00 C ATOM 0 H VAL A 449 34.911 7.304 1.160 1.00 1.00 H new ATOM 0 HA VAL A 449 36.391 4.993 1.763 1.00 1.00 H new ATOM 0 HB VAL A 449 33.391 5.556 1.689 1.00 1.00 H new ATOM 0 HG11 VAL A 449 33.203 3.566 3.138 1.00 1.00 H new ATOM 0 HG12 VAL A 449 33.869 3.129 1.547 1.00 1.00 H new ATOM 0 HG13 VAL A 449 34.947 3.262 2.957 1.00 1.00 H new ATOM 0 HG21 VAL A 449 33.723 5.830 4.128 1.00 1.00 H new ATOM 0 HG22 VAL A 449 35.461 5.505 3.932 1.00 1.00 H new ATOM 0 HG23 VAL A 449 34.744 6.970 3.220 1.00 1.00 H new ATOM 332 N ILE A 450 34.489 4.776 -0.940 1.00 1.00 N ATOM 333 CA ILE A 450 34.266 3.949 -2.123 1.00 1.00 C ATOM 334 C ILE A 450 35.557 3.775 -2.929 1.00 1.00 C ATOM 335 O ILE A 450 35.857 2.673 -3.378 1.00 1.00 O ATOM 336 CB ILE A 450 33.208 4.577 -3.021 1.00 1.00 C ATOM 337 CG1 ILE A 450 31.844 4.554 -2.313 1.00 1.00 C ATOM 338 CG2 ILE A 450 33.140 3.798 -4.337 1.00 1.00 C ATOM 339 CD1 ILE A 450 31.381 3.114 -2.013 1.00 1.00 C ATOM 0 H ILE A 450 33.974 5.656 -0.926 1.00 1.00 H new ATOM 0 HA ILE A 450 33.926 2.972 -1.778 1.00 1.00 H new ATOM 0 HB ILE A 450 33.471 5.614 -3.232 1.00 1.00 H new ATOM 0 HG12 ILE A 450 31.908 5.117 -1.382 1.00 1.00 H new ATOM 0 HG13 ILE A 450 31.102 5.052 -2.937 1.00 1.00 H new ATOM 0 HG21 ILE A 450 32.384 4.243 -4.984 1.00 1.00 H new ATOM 0 HG22 ILE A 450 34.110 3.836 -4.833 1.00 1.00 H new ATOM 0 HG23 ILE A 450 32.877 2.760 -4.132 1.00 1.00 H new ATOM 0 HD11 ILE A 450 30.413 3.140 -1.512 1.00 1.00 H new ATOM 0 HD12 ILE A 450 31.292 2.559 -2.947 1.00 1.00 H new ATOM 0 HD13 ILE A 450 32.110 2.624 -1.368 1.00 1.00 H new ATOM 351 N PHE A 451 36.316 4.854 -3.111 1.00 1.00 N ATOM 352 CA PHE A 451 37.559 4.727 -3.879 1.00 1.00 C ATOM 353 C PHE A 451 38.509 3.734 -3.204 1.00 1.00 C ATOM 354 O PHE A 451 39.088 2.863 -3.860 1.00 1.00 O ATOM 355 CB PHE A 451 38.257 6.088 -4.035 1.00 1.00 C ATOM 356 CG PHE A 451 37.507 6.945 -5.039 1.00 1.00 C ATOM 357 CD1 PHE A 451 37.421 6.541 -6.381 1.00 1.00 C ATOM 358 CD2 PHE A 451 36.889 8.138 -4.631 1.00 1.00 C ATOM 359 CE1 PHE A 451 36.724 7.325 -7.308 1.00 1.00 C ATOM 360 CE2 PHE A 451 36.190 8.920 -5.563 1.00 1.00 C ATOM 361 CZ PHE A 451 36.107 8.513 -6.899 1.00 1.00 C ATOM 0 H PHE A 451 36.109 5.788 -2.757 1.00 1.00 H new ATOM 0 HA PHE A 451 37.298 4.356 -4.870 1.00 1.00 H new ATOM 0 HB2 PHE A 451 38.300 6.596 -3.072 1.00 1.00 H new ATOM 0 HB3 PHE A 451 39.286 5.943 -4.365 1.00 1.00 H new ATOM 0 HD1 PHE A 451 37.894 5.623 -6.699 1.00 1.00 H new ATOM 0 HD2 PHE A 451 36.952 8.454 -3.600 1.00 1.00 H new ATOM 0 HE1 PHE A 451 36.662 7.013 -8.340 1.00 1.00 H new ATOM 0 HE2 PHE A 451 35.715 9.838 -5.249 1.00 1.00 H new ATOM 0 HZ PHE A 451 35.567 9.115 -7.615 1.00 1.00 H new ATOM 371 N LEU A 452 38.658 3.862 -1.893 1.00 1.00 N ATOM 372 CA LEU A 452 39.518 2.974 -1.116 1.00 1.00 C ATOM 373 C LEU A 452 38.973 1.548 -1.121 1.00 1.00 C ATOM 374 O LEU A 452 39.732 0.583 -1.198 1.00 1.00 O ATOM 375 CB LEU A 452 39.614 3.478 0.324 1.00 1.00 C ATOM 376 CG LEU A 452 40.405 4.792 0.361 1.00 1.00 C ATOM 377 CD1 LEU A 452 40.336 5.396 1.764 1.00 1.00 C ATOM 378 CD2 LEU A 452 41.871 4.541 -0.014 1.00 1.00 C ATOM 0 H LEU A 452 38.190 4.579 -1.339 1.00 1.00 H new ATOM 0 HA LEU A 452 40.508 2.970 -1.572 1.00 1.00 H new ATOM 0 HB2 LEU A 452 38.615 3.632 0.733 1.00 1.00 H new ATOM 0 HB3 LEU A 452 40.103 2.731 0.949 1.00 1.00 H new ATOM 0 HG LEU A 452 39.967 5.485 -0.358 1.00 1.00 H new ATOM 0 HD11 LEU A 452 40.899 6.329 1.787 1.00 1.00 H new ATOM 0 HD12 LEU A 452 39.296 5.593 2.025 1.00 1.00 H new ATOM 0 HD13 LEU A 452 40.764 4.697 2.483 1.00 1.00 H new ATOM 0 HD21 LEU A 452 42.421 5.482 0.016 1.00 1.00 H new ATOM 0 HD22 LEU A 452 42.313 3.840 0.694 1.00 1.00 H new ATOM 0 HD23 LEU A 452 41.923 4.123 -1.019 1.00 1.00 H new ATOM 390 N THR A 453 37.651 1.433 -1.023 1.00 1.00 N ATOM 391 CA THR A 453 37.012 0.119 -0.999 1.00 1.00 C ATOM 392 C THR A 453 37.286 -0.635 -2.298 1.00 1.00 C ATOM 393 O THR A 453 37.627 -1.818 -2.278 1.00 1.00 O ATOM 394 CB THR A 453 35.494 0.270 -0.806 1.00 1.00 C ATOM 395 OG1 THR A 453 35.225 0.890 0.447 1.00 1.00 O ATOM 396 CG2 THR A 453 34.831 -1.110 -0.838 1.00 1.00 C ATOM 0 H THR A 453 37.008 2.222 -0.960 1.00 1.00 H new ATOM 0 HA THR A 453 37.428 -0.447 -0.166 1.00 1.00 H new ATOM 0 HB THR A 453 35.094 0.888 -1.610 1.00 1.00 H new ATOM 0 HG1 THR A 453 35.688 1.752 0.491 1.00 1.00 H new ATOM 0 HG21 THR A 453 33.755 -1.000 -0.701 1.00 1.00 H new ATOM 0 HG22 THR A 453 35.028 -1.586 -1.799 1.00 1.00 H new ATOM 0 HG23 THR A 453 35.238 -1.728 -0.037 1.00 1.00 H new ATOM 404 N ILE A 454 37.134 0.060 -3.422 1.00 1.00 N ATOM 405 CA ILE A 454 37.365 -0.537 -4.733 1.00 1.00 C ATOM 406 C ILE A 454 38.826 -0.936 -4.907 1.00 1.00 C ATOM 407 O ILE A 454 39.140 -2.004 -5.431 1.00 1.00 O ATOM 408 CB ILE A 454 36.975 0.454 -5.832 1.00 1.00 C ATOM 409 CG1 ILE A 454 35.458 0.658 -5.812 1.00 1.00 C ATOM 410 CG2 ILE A 454 37.399 -0.103 -7.193 1.00 1.00 C ATOM 411 CD1 ILE A 454 35.080 1.844 -6.704 1.00 1.00 C ATOM 0 H ILE A 454 36.851 1.040 -3.450 1.00 1.00 H new ATOM 0 HA ILE A 454 36.750 -1.434 -4.808 1.00 1.00 H new ATOM 0 HB ILE A 454 37.474 1.408 -5.660 1.00 1.00 H new ATOM 0 HG12 ILE A 454 34.956 -0.245 -6.160 1.00 1.00 H new ATOM 0 HG13 ILE A 454 35.120 0.837 -4.791 1.00 1.00 H new ATOM 0 HG21 ILE A 454 37.122 0.602 -7.977 1.00 1.00 H new ATOM 0 HG22 ILE A 454 38.479 -0.253 -7.205 1.00 1.00 H new ATOM 0 HG23 ILE A 454 36.899 -1.056 -7.368 1.00 1.00 H new ATOM 0 HD11 ILE A 454 33.999 1.983 -6.685 1.00 1.00 H new ATOM 0 HD12 ILE A 454 35.569 2.746 -6.336 1.00 1.00 H new ATOM 0 HD13 ILE A 454 35.403 1.648 -7.726 1.00 1.00 H new ATOM 423 N ALA A 455 39.709 -0.040 -4.478 1.00 1.00 N ATOM 424 CA ALA A 455 41.143 -0.276 -4.610 1.00 1.00 C ATOM 425 C ALA A 455 41.589 -1.503 -3.820 1.00 1.00 C ATOM 426 O ALA A 455 42.392 -2.300 -4.303 1.00 1.00 O ATOM 427 CB ALA A 455 41.918 0.951 -4.122 1.00 1.00 C ATOM 0 H ALA A 455 39.461 0.847 -4.040 1.00 1.00 H new ATOM 0 HA ALA A 455 41.353 -0.457 -5.664 1.00 1.00 H new ATOM 0 HB1 ALA A 455 42.988 0.769 -4.223 1.00 1.00 H new ATOM 0 HB2 ALA A 455 41.639 1.819 -4.720 1.00 1.00 H new ATOM 0 HB3 ALA A 455 41.679 1.140 -3.075 1.00 1.00 H new ATOM 433 N VAL A 456 41.068 -1.650 -2.606 1.00 1.00 N ATOM 434 CA VAL A 456 41.428 -2.782 -1.761 1.00 1.00 C ATOM 435 C VAL A 456 40.958 -4.104 -2.364 1.00 1.00 C ATOM 436 O VAL A 456 41.712 -5.072 -2.390 1.00 1.00 O ATOM 437 CB VAL A 456 40.813 -2.611 -0.373 1.00 1.00 C ATOM 438 CG1 VAL A 456 41.028 -3.889 0.439 1.00 1.00 C ATOM 439 CG2 VAL A 456 41.489 -1.436 0.338 1.00 1.00 C ATOM 0 H VAL A 456 40.399 -1.003 -2.188 1.00 1.00 H new ATOM 0 HA VAL A 456 42.515 -2.808 -1.686 1.00 1.00 H new ATOM 0 HB VAL A 456 39.745 -2.416 -0.467 1.00 1.00 H new ATOM 0 HG11 VAL A 456 40.590 -3.769 1.430 1.00 1.00 H new ATOM 0 HG12 VAL A 456 40.552 -4.727 -0.069 1.00 1.00 H new ATOM 0 HG13 VAL A 456 42.096 -4.083 0.536 1.00 1.00 H new ATOM 0 HG21 VAL A 456 41.053 -1.311 1.329 1.00 1.00 H new ATOM 0 HG22 VAL A 456 42.557 -1.634 0.434 1.00 1.00 H new ATOM 0 HG23 VAL A 456 41.340 -0.525 -0.242 1.00 1.00 H new ATOM 449 N LEU A 457 39.723 -4.154 -2.845 1.00 1.00 N ATOM 450 CA LEU A 457 39.214 -5.392 -3.429 1.00 1.00 C ATOM 451 C LEU A 457 40.021 -5.779 -4.666 1.00 1.00 C ATOM 452 O LEU A 457 40.364 -6.949 -4.865 1.00 1.00 O ATOM 453 CB LEU A 457 37.744 -5.218 -3.815 1.00 1.00 C ATOM 454 CG LEU A 457 36.885 -5.099 -2.549 1.00 1.00 C ATOM 455 CD1 LEU A 457 35.458 -4.710 -2.936 1.00 1.00 C ATOM 456 CD2 LEU A 457 36.859 -6.436 -1.794 1.00 1.00 C ATOM 0 H LEU A 457 39.067 -3.373 -2.845 1.00 1.00 H new ATOM 0 HA LEU A 457 39.308 -6.185 -2.687 1.00 1.00 H new ATOM 0 HB2 LEU A 457 37.623 -4.328 -4.432 1.00 1.00 H new ATOM 0 HB3 LEU A 457 37.412 -6.067 -4.412 1.00 1.00 H new ATOM 0 HG LEU A 457 37.315 -4.334 -1.902 1.00 1.00 H new ATOM 0 HD11 LEU A 457 34.847 -4.625 -2.037 1.00 1.00 H new ATOM 0 HD12 LEU A 457 35.471 -3.753 -3.458 1.00 1.00 H new ATOM 0 HD13 LEU A 457 35.037 -5.474 -3.590 1.00 1.00 H new ATOM 0 HD21 LEU A 457 36.246 -6.336 -0.898 1.00 1.00 H new ATOM 0 HD22 LEU A 457 36.439 -7.209 -2.437 1.00 1.00 H new ATOM 0 HD23 LEU A 457 37.874 -6.713 -1.510 1.00 1.00 H new ATOM 468 N LEU A 458 40.316 -4.783 -5.494 1.00 1.00 N ATOM 469 CA LEU A 458 41.079 -5.001 -6.717 1.00 1.00 C ATOM 470 C LEU A 458 42.500 -5.477 -6.422 1.00 1.00 C ATOM 471 O LEU A 458 43.025 -6.349 -7.115 1.00 1.00 O ATOM 472 CB LEU A 458 41.136 -3.706 -7.532 1.00 1.00 C ATOM 473 CG LEU A 458 39.746 -3.388 -8.097 1.00 1.00 C ATOM 474 CD1 LEU A 458 39.751 -1.986 -8.706 1.00 1.00 C ATOM 475 CD2 LEU A 458 39.363 -4.409 -9.178 1.00 1.00 C ATOM 0 H LEU A 458 40.037 -3.814 -5.340 1.00 1.00 H new ATOM 0 HA LEU A 458 40.573 -5.780 -7.287 1.00 1.00 H new ATOM 0 HB2 LEU A 458 41.480 -2.885 -6.904 1.00 1.00 H new ATOM 0 HB3 LEU A 458 41.855 -3.808 -8.345 1.00 1.00 H new ATOM 0 HG LEU A 458 39.018 -3.438 -7.287 1.00 1.00 H new ATOM 0 HD11 LEU A 458 38.763 -1.760 -9.107 1.00 1.00 H new ATOM 0 HD12 LEU A 458 40.006 -1.256 -7.937 1.00 1.00 H new ATOM 0 HD13 LEU A 458 40.488 -1.940 -9.508 1.00 1.00 H new ATOM 0 HD21 LEU A 458 38.374 -4.171 -9.570 1.00 1.00 H new ATOM 0 HD22 LEU A 458 40.092 -4.373 -9.987 1.00 1.00 H new ATOM 0 HD23 LEU A 458 39.350 -5.409 -8.745 1.00 1.00 H new ATOM 487 N ALA A 459 43.133 -4.876 -5.416 1.00 1.00 N ATOM 488 CA ALA A 459 44.509 -5.219 -5.067 1.00 1.00 C ATOM 489 C ALA A 459 44.662 -6.688 -4.684 1.00 1.00 C ATOM 490 O ALA A 459 45.578 -7.373 -5.136 1.00 1.00 O ATOM 491 CB ALA A 459 44.978 -4.343 -3.905 1.00 1.00 C ATOM 0 H ALA A 459 42.716 -4.152 -4.831 1.00 1.00 H new ATOM 0 HA ALA A 459 45.122 -5.042 -5.951 1.00 1.00 H new ATOM 0 HB1 ALA A 459 46.005 -4.601 -3.646 1.00 1.00 H new ATOM 0 HB2 ALA A 459 44.930 -3.294 -4.198 1.00 1.00 H new ATOM 0 HB3 ALA A 459 44.334 -4.509 -3.041 1.00 1.00 H new ATOM 497 N LEU A 460 43.775 -7.155 -3.814 1.00 1.00 N ATOM 498 CA LEU A 460 43.854 -8.534 -3.350 1.00 1.00 C ATOM 499 C LEU A 460 43.687 -9.520 -4.501 1.00 1.00 C ATOM 500 O LEU A 460 44.433 -10.495 -4.591 1.00 1.00 O ATOM 501 CB LEU A 460 42.782 -8.803 -2.283 1.00 1.00 C ATOM 502 CG LEU A 460 43.258 -8.360 -0.882 1.00 1.00 C ATOM 503 CD1 LEU A 460 44.215 -9.405 -0.301 1.00 1.00 C ATOM 504 CD2 LEU A 460 43.971 -7.003 -0.936 1.00 1.00 C ATOM 0 H LEU A 460 43.006 -6.611 -3.422 1.00 1.00 H new ATOM 0 HA LEU A 460 44.843 -8.677 -2.915 1.00 1.00 H new ATOM 0 HB2 LEU A 460 41.866 -8.272 -2.543 1.00 1.00 H new ATOM 0 HB3 LEU A 460 42.540 -9.866 -2.268 1.00 1.00 H new ATOM 0 HG LEU A 460 42.377 -8.265 -0.247 1.00 1.00 H new ATOM 0 HD11 LEU A 460 44.546 -9.085 0.687 1.00 1.00 H new ATOM 0 HD12 LEU A 460 43.702 -10.363 -0.219 1.00 1.00 H new ATOM 0 HD13 LEU A 460 45.079 -9.511 -0.957 1.00 1.00 H new ATOM 0 HD21 LEU A 460 44.293 -6.721 0.066 1.00 1.00 H new ATOM 0 HD22 LEU A 460 44.840 -7.075 -1.590 1.00 1.00 H new ATOM 0 HD23 LEU A 460 43.287 -6.248 -1.323 1.00 1.00 H new ATOM 516 N ARG A 461 42.730 -9.275 -5.390 1.00 1.00 N ATOM 517 CA ARG A 461 42.531 -10.177 -6.521 1.00 1.00 C ATOM 518 C ARG A 461 43.731 -10.111 -7.464 1.00 1.00 C ATOM 519 O ARG A 461 44.237 -11.139 -7.920 1.00 1.00 O ATOM 520 CB ARG A 461 41.236 -9.795 -7.258 1.00 1.00 C ATOM 521 CG ARG A 461 40.944 -10.779 -8.404 1.00 1.00 C ATOM 522 CD ARG A 461 41.480 -10.237 -9.738 1.00 1.00 C ATOM 523 NE ARG A 461 40.832 -8.971 -10.063 1.00 1.00 N ATOM 524 CZ ARG A 461 39.636 -8.941 -10.641 1.00 1.00 C ATOM 525 NH1 ARG A 461 39.021 -10.056 -10.928 1.00 1.00 N ATOM 526 NH2 ARG A 461 39.076 -7.796 -10.923 1.00 1.00 N ATOM 0 H ARG A 461 42.093 -8.479 -5.353 1.00 1.00 H new ATOM 0 HA ARG A 461 42.441 -11.201 -6.158 1.00 1.00 H new ATOM 0 HB2 ARG A 461 40.402 -9.790 -6.556 1.00 1.00 H new ATOM 0 HB3 ARG A 461 41.324 -8.784 -7.655 1.00 1.00 H new ATOM 0 HG2 ARG A 461 41.403 -11.743 -8.187 1.00 1.00 H new ATOM 0 HG3 ARG A 461 39.870 -10.947 -8.480 1.00 1.00 H new ATOM 0 HD2 ARG A 461 42.559 -10.096 -9.675 1.00 1.00 H new ATOM 0 HD3 ARG A 461 41.299 -10.961 -10.532 1.00 1.00 H new ATOM 0 HE ARG A 461 41.305 -8.094 -9.843 1.00 1.00 H new ATOM 0 HH11 ARG A 461 39.459 -10.951 -10.709 1.00 1.00 H new ATOM 0 HH12 ARG A 461 38.103 -10.032 -11.372 1.00 1.00 H new ATOM 0 HH21 ARG A 461 39.557 -6.924 -10.700 1.00 1.00 H new ATOM 0 HH22 ARG A 461 38.158 -7.773 -11.367 1.00 1.00 H new ATOM 540 N PHE A 462 44.185 -8.890 -7.739 1.00 1.00 N ATOM 541 CA PHE A 462 45.327 -8.657 -8.618 1.00 1.00 C ATOM 542 C PHE A 462 46.585 -9.283 -8.047 1.00 1.00 C ATOM 543 O PHE A 462 47.331 -9.952 -8.756 1.00 1.00 O ATOM 544 CB PHE A 462 45.544 -7.154 -8.804 1.00 1.00 C ATOM 545 CG PHE A 462 46.722 -6.929 -9.722 1.00 1.00 C ATOM 546 CD1 PHE A 462 46.594 -7.163 -11.096 1.00 1.00 C ATOM 547 CD2 PHE A 462 47.944 -6.486 -9.199 1.00 1.00 C ATOM 548 CE1 PHE A 462 47.686 -6.956 -11.947 1.00 1.00 C ATOM 549 CE2 PHE A 462 49.035 -6.278 -10.049 1.00 1.00 C ATOM 550 CZ PHE A 462 48.907 -6.514 -11.423 1.00 1.00 C ATOM 0 H PHE A 462 43.773 -8.038 -7.360 1.00 1.00 H new ATOM 0 HA PHE A 462 45.114 -9.118 -9.582 1.00 1.00 H new ATOM 0 HB2 PHE A 462 44.649 -6.695 -9.223 1.00 1.00 H new ATOM 0 HB3 PHE A 462 45.724 -6.679 -7.840 1.00 1.00 H new ATOM 0 HD1 PHE A 462 45.652 -7.504 -11.500 1.00 1.00 H new ATOM 0 HD2 PHE A 462 48.044 -6.305 -8.139 1.00 1.00 H new ATOM 0 HE1 PHE A 462 47.587 -7.137 -13.007 1.00 1.00 H new ATOM 0 HE2 PHE A 462 49.976 -5.935 -9.645 1.00 1.00 H new ATOM 0 HZ PHE A 462 49.750 -6.355 -12.079 1.00 1.00 H new ATOM 560 N CYS A 463 46.809 -9.077 -6.757 1.00 1.00 N ATOM 561 CA CYS A 463 47.966 -9.627 -6.075 1.00 1.00 C ATOM 562 C CYS A 463 47.731 -11.092 -5.738 1.00 1.00 C ATOM 563 O CYS A 463 48.672 -11.839 -5.477 1.00 1.00 O ATOM 564 CB CYS A 463 48.237 -8.825 -4.803 1.00 1.00 C ATOM 565 SG CYS A 463 47.376 -9.594 -3.412 1.00 1.00 S ATOM 0 H CYS A 463 46.195 -8.526 -6.158 1.00 1.00 H new ATOM 0 HA CYS A 463 48.835 -9.561 -6.730 1.00 1.00 H new ATOM 0 HB2 CYS A 463 49.308 -8.787 -4.605 1.00 1.00 H new ATOM 0 HB3 CYS A 463 47.900 -7.796 -4.930 1.00 1.00 H new ATOM 0 HG CYS A 463 46.220 -10.037 -3.809 1.00 1.00 H new ATOM 571 N GLY A 464 46.464 -11.497 -5.750 1.00 1.00 N ATOM 572 CA GLY A 464 46.135 -12.882 -5.445 1.00 1.00 C ATOM 573 C GLY A 464 46.747 -13.809 -6.486 1.00 1.00 C ATOM 574 O GLY A 464 47.327 -14.842 -6.149 1.00 1.00 O ATOM 0 H GLY A 464 45.665 -10.899 -5.963 1.00 1.00 H new ATOM 0 HA2 GLY A 464 46.506 -13.142 -4.453 1.00 1.00 H new ATOM 0 HA3 GLY A 464 45.053 -13.010 -5.424 1.00 1.00 H new ATOM 578 N ILE A 465 46.628 -13.426 -7.752 1.00 1.00 N ATOM 579 CA ILE A 465 47.185 -14.216 -8.845 1.00 1.00 C ATOM 580 C ILE A 465 48.711 -14.283 -8.737 1.00 1.00 C ATOM 581 O ILE A 465 49.310 -15.340 -8.939 1.00 1.00 O ATOM 582 CB ILE A 465 46.795 -13.600 -10.190 1.00 1.00 C ATOM 583 CG1 ILE A 465 45.286 -13.751 -10.402 1.00 1.00 C ATOM 584 CG2 ILE A 465 47.543 -14.317 -11.315 1.00 1.00 C ATOM 585 CD1 ILE A 465 44.849 -12.907 -11.599 1.00 1.00 C ATOM 0 H ILE A 465 46.151 -12.574 -8.047 1.00 1.00 H new ATOM 0 HA ILE A 465 46.781 -15.226 -8.778 1.00 1.00 H new ATOM 0 HB ILE A 465 47.058 -12.542 -10.196 1.00 1.00 H new ATOM 0 HG12 ILE A 465 45.035 -14.798 -10.572 1.00 1.00 H new ATOM 0 HG13 ILE A 465 44.750 -13.436 -9.507 1.00 1.00 H new ATOM 0 HG21 ILE A 465 47.266 -13.879 -12.274 1.00 1.00 H new ATOM 0 HG22 ILE A 465 48.617 -14.209 -11.164 1.00 1.00 H new ATOM 0 HG23 ILE A 465 47.280 -15.375 -11.310 1.00 1.00 H new ATOM 0 HD11 ILE A 465 43.775 -13.016 -11.748 1.00 1.00 H new ATOM 0 HD12 ILE A 465 45.085 -11.860 -11.411 1.00 1.00 H new ATOM 0 HD13 ILE A 465 45.375 -13.243 -12.493 1.00 1.00 H new ATOM 597 N TYR A 466 49.329 -13.148 -8.431 1.00 1.00 N ATOM 598 CA TYR A 466 50.788 -13.103 -8.320 1.00 1.00 C ATOM 599 C TYR A 466 51.287 -13.834 -7.074 1.00 1.00 C ATOM 600 O TYR A 466 52.446 -14.249 -7.016 1.00 1.00 O ATOM 601 CB TYR A 466 51.271 -11.651 -8.295 1.00 1.00 C ATOM 602 CG TYR A 466 51.305 -11.108 -9.704 1.00 1.00 C ATOM 603 CD1 TYR A 466 50.117 -10.747 -10.347 1.00 1.00 C ATOM 604 CD2 TYR A 466 52.530 -10.964 -10.366 1.00 1.00 C ATOM 605 CE1 TYR A 466 50.152 -10.241 -11.652 1.00 1.00 C ATOM 606 CE2 TYR A 466 52.566 -10.458 -11.672 1.00 1.00 C ATOM 607 CZ TYR A 466 51.377 -10.096 -12.314 1.00 1.00 C ATOM 608 OH TYR A 466 51.411 -9.597 -13.600 1.00 1.00 O ATOM 0 H TYR A 466 48.857 -12.261 -8.258 1.00 1.00 H new ATOM 0 HA TYR A 466 51.198 -13.611 -9.193 1.00 1.00 H new ATOM 0 HB2 TYR A 466 50.608 -11.046 -7.677 1.00 1.00 H new ATOM 0 HB3 TYR A 466 52.263 -11.594 -7.848 1.00 1.00 H new ATOM 0 HD1 TYR A 466 49.172 -10.859 -9.837 1.00 1.00 H new ATOM 0 HD2 TYR A 466 53.448 -11.243 -9.870 1.00 1.00 H new ATOM 0 HE1 TYR A 466 49.234 -9.963 -12.148 1.00 1.00 H new ATOM 0 HE2 TYR A 466 53.511 -10.347 -12.183 1.00 1.00 H new ATOM 0 HH TYR A 466 52.339 -9.560 -13.912 1.00 1.00 H new ATOM 618 N GLY A 467 50.415 -14.008 -6.086 1.00 1.00 N ATOM 619 CA GLY A 467 50.807 -14.714 -4.870 1.00 1.00 C ATOM 620 C GLY A 467 51.533 -13.797 -3.892 1.00 1.00 C ATOM 621 O GLY A 467 52.438 -14.234 -3.180 1.00 1.00 O ATOM 0 H GLY A 467 49.450 -13.677 -6.100 1.00 1.00 H new ATOM 0 HA2 GLY A 467 49.921 -15.130 -4.389 1.00 1.00 H new ATOM 0 HA3 GLY A 467 51.453 -15.553 -5.129 1.00 1.00 H new ATOM 625 N TYR A 468 51.142 -12.531 -3.857 1.00 1.00 N ATOM 626 CA TYR A 468 51.783 -11.580 -2.954 1.00 1.00 C ATOM 627 C TYR A 468 51.634 -12.038 -1.506 1.00 1.00 C ATOM 628 O TYR A 468 52.598 -12.022 -0.741 1.00 1.00 O ATOM 629 CB TYR A 468 51.157 -10.195 -3.118 1.00 1.00 C ATOM 630 CG TYR A 468 51.767 -9.244 -2.116 1.00 1.00 C ATOM 631 CD1 TYR A 468 53.042 -8.712 -2.336 1.00 1.00 C ATOM 632 CD2 TYR A 468 51.053 -8.895 -0.963 1.00 1.00 C ATOM 633 CE1 TYR A 468 53.604 -7.832 -1.404 1.00 1.00 C ATOM 634 CE2 TYR A 468 51.615 -8.015 -0.030 1.00 1.00 C ATOM 635 CZ TYR A 468 52.891 -7.483 -0.251 1.00 1.00 C ATOM 636 OH TYR A 468 53.445 -6.616 0.669 1.00 1.00 O ATOM 0 H TYR A 468 50.396 -12.141 -4.433 1.00 1.00 H new ATOM 0 HA TYR A 468 52.843 -11.529 -3.204 1.00 1.00 H new ATOM 0 HB2 TYR A 468 51.322 -9.828 -4.131 1.00 1.00 H new ATOM 0 HB3 TYR A 468 50.078 -10.252 -2.971 1.00 1.00 H new ATOM 0 HD1 TYR A 468 53.593 -8.980 -3.225 1.00 1.00 H new ATOM 0 HD2 TYR A 468 50.068 -9.305 -0.793 1.00 1.00 H new ATOM 0 HE1 TYR A 468 54.588 -7.422 -1.574 1.00 1.00 H new ATOM 0 HE2 TYR A 468 51.064 -7.747 0.860 1.00 1.00 H new ATOM 0 HH TYR A 468 52.817 -6.480 1.409 1.00 1.00 H new ATOM 646 N ARG A 469 50.426 -12.447 -1.136 1.00 1.00 N ATOM 647 CA ARG A 469 50.178 -12.908 0.226 1.00 1.00 C ATOM 648 C ARG A 469 50.984 -14.169 0.516 1.00 1.00 C ATOM 649 O ARG A 469 51.521 -14.336 1.612 1.00 1.00 O ATOM 650 CB ARG A 469 48.690 -13.206 0.416 1.00 1.00 C ATOM 651 CG ARG A 469 47.901 -11.896 0.426 1.00 1.00 C ATOM 652 CD ARG A 469 46.406 -12.206 0.512 1.00 1.00 C ATOM 653 NE ARG A 469 46.101 -12.869 1.775 1.00 1.00 N ATOM 654 CZ ARG A 469 44.880 -13.330 2.032 1.00 1.00 C ATOM 655 NH1 ARG A 469 43.932 -13.196 1.146 1.00 1.00 N ATOM 656 NH2 ARG A 469 44.632 -13.919 3.170 1.00 1.00 N ATOM 0 H ARG A 469 49.612 -12.469 -1.750 1.00 1.00 H new ATOM 0 HA ARG A 469 50.484 -12.121 0.916 1.00 1.00 H new ATOM 0 HB2 ARG A 469 48.333 -13.851 -0.387 1.00 1.00 H new ATOM 0 HB3 ARG A 469 48.533 -13.744 1.351 1.00 1.00 H new ATOM 0 HG2 ARG A 469 48.206 -11.281 1.273 1.00 1.00 H new ATOM 0 HG3 ARG A 469 48.114 -11.323 -0.477 1.00 1.00 H new ATOM 0 HD2 ARG A 469 45.831 -11.284 0.429 1.00 1.00 H new ATOM 0 HD3 ARG A 469 46.111 -12.843 -0.322 1.00 1.00 H new ATOM 0 HE ARG A 469 46.836 -12.981 2.473 1.00 1.00 H new ATOM 0 HH11 ARG A 469 44.127 -12.738 0.256 1.00 1.00 H new ATOM 0 HH12 ARG A 469 42.996 -13.550 1.343 1.00 1.00 H new ATOM 0 HH21 ARG A 469 45.374 -14.026 3.862 1.00 1.00 H new ATOM 0 HH22 ARG A 469 43.696 -14.273 3.368 1.00 1.00 H new ATOM 670 N LEU A 470 51.066 -15.055 -0.471 1.00 1.00 N ATOM 671 CA LEU A 470 51.811 -16.299 -0.306 1.00 1.00 C ATOM 672 C LEU A 470 53.286 -16.004 -0.056 1.00 1.00 C ATOM 673 O LEU A 470 53.916 -16.620 0.803 1.00 1.00 O ATOM 674 CB LEU A 470 51.657 -17.167 -1.563 1.00 1.00 C ATOM 675 CG LEU A 470 52.450 -18.473 -1.417 1.00 1.00 C ATOM 676 CD1 LEU A 470 51.984 -19.237 -0.177 1.00 1.00 C ATOM 677 CD2 LEU A 470 52.221 -19.340 -2.658 1.00 1.00 C ATOM 0 H LEU A 470 50.630 -14.937 -1.386 1.00 1.00 H new ATOM 0 HA LEU A 470 51.412 -16.837 0.554 1.00 1.00 H new ATOM 0 HB2 LEU A 470 50.603 -17.391 -1.730 1.00 1.00 H new ATOM 0 HB3 LEU A 470 52.008 -16.618 -2.436 1.00 1.00 H new ATOM 0 HG LEU A 470 53.509 -18.238 -1.314 1.00 1.00 H new ATOM 0 HD11 LEU A 470 52.554 -20.162 -0.084 1.00 1.00 H new ATOM 0 HD12 LEU A 470 52.142 -18.623 0.709 1.00 1.00 H new ATOM 0 HD13 LEU A 470 50.924 -19.472 -0.272 1.00 1.00 H new ATOM 0 HD21 LEU A 470 52.782 -20.270 -2.561 1.00 1.00 H new ATOM 0 HD22 LEU A 470 51.159 -19.565 -2.754 1.00 1.00 H new ATOM 0 HD23 LEU A 470 52.559 -18.803 -3.544 1.00 1.00 H new ATOM 689 N ARG A 471 53.831 -15.055 -0.811 1.00 1.00 N ATOM 690 CA ARG A 471 55.233 -14.685 -0.660 1.00 1.00 C ATOM 691 C ARG A 471 55.487 -14.139 0.742 1.00 1.00 C ATOM 692 O ARG A 471 56.486 -14.475 1.379 1.00 1.00 O ATOM 693 CB ARG A 471 55.606 -13.629 -1.706 1.00 1.00 C ATOM 694 CG ARG A 471 57.099 -13.300 -1.609 1.00 1.00 C ATOM 695 CD ARG A 471 57.455 -12.234 -2.646 1.00 1.00 C ATOM 696 NE ARG A 471 58.898 -12.028 -2.684 1.00 1.00 N ATOM 697 CZ ARG A 471 59.425 -10.953 -3.263 1.00 1.00 C ATOM 698 NH1 ARG A 471 58.646 -10.061 -3.812 1.00 1.00 N ATOM 699 NH2 ARG A 471 60.719 -10.791 -3.283 1.00 1.00 N ATOM 0 H ARG A 471 53.328 -14.532 -1.528 1.00 1.00 H new ATOM 0 HA ARG A 471 55.850 -15.571 -0.808 1.00 1.00 H new ATOM 0 HB2 ARG A 471 55.370 -13.996 -2.705 1.00 1.00 H new ATOM 0 HB3 ARG A 471 55.015 -12.726 -1.550 1.00 1.00 H new ATOM 0 HG2 ARG A 471 57.339 -12.943 -0.608 1.00 1.00 H new ATOM 0 HG3 ARG A 471 57.692 -14.199 -1.778 1.00 1.00 H new ATOM 0 HD2 ARG A 471 57.098 -12.540 -3.629 1.00 1.00 H new ATOM 0 HD3 ARG A 471 56.953 -11.298 -2.402 1.00 1.00 H new ATOM 0 HE ARG A 471 59.514 -12.721 -2.259 1.00 1.00 H new ATOM 0 HH11 ARG A 471 57.634 -10.189 -3.797 1.00 1.00 H new ATOM 0 HH12 ARG A 471 59.049 -9.236 -4.256 1.00 1.00 H new ATOM 0 HH21 ARG A 471 61.327 -11.489 -2.855 1.00 1.00 H new ATOM 0 HH22 ARG A 471 61.123 -9.966 -3.727 1.00 1.00 H new ATOM 713 N ARG A 472 54.576 -13.296 1.215 1.00 1.00 N ATOM 714 CA ARG A 472 54.708 -12.708 2.544 1.00 1.00 C ATOM 715 C ARG A 472 54.693 -13.801 3.609 1.00 1.00 C ATOM 716 O ARG A 472 55.485 -13.773 4.551 1.00 1.00 O ATOM 717 CB ARG A 472 53.563 -11.722 2.792 1.00 1.00 C ATOM 718 CG ARG A 472 53.746 -11.038 4.151 1.00 1.00 C ATOM 719 CD ARG A 472 52.590 -10.068 4.393 1.00 1.00 C ATOM 720 NE ARG A 472 52.830 -9.287 5.601 1.00 1.00 N ATOM 721 CZ ARG A 472 51.848 -8.613 6.191 1.00 1.00 C ATOM 722 NH1 ARG A 472 50.643 -8.644 5.691 1.00 1.00 N ATOM 723 NH2 ARG A 472 52.089 -7.922 7.271 1.00 1.00 N ATOM 0 H ARG A 472 53.743 -13.006 0.703 1.00 1.00 H new ATOM 0 HA ARG A 472 55.658 -12.176 2.601 1.00 1.00 H new ATOM 0 HB2 ARG A 472 53.538 -10.974 2.000 1.00 1.00 H new ATOM 0 HB3 ARG A 472 52.608 -12.247 2.765 1.00 1.00 H new ATOM 0 HG2 ARG A 472 53.780 -11.785 4.944 1.00 1.00 H new ATOM 0 HG3 ARG A 472 54.695 -10.503 4.176 1.00 1.00 H new ATOM 0 HD2 ARG A 472 52.480 -9.402 3.537 1.00 1.00 H new ATOM 0 HD3 ARG A 472 51.656 -10.621 4.489 1.00 1.00 H new ATOM 0 HE ARG A 472 53.768 -9.257 6.000 1.00 1.00 H new ATOM 0 HH11 ARG A 472 50.455 -9.186 4.847 1.00 1.00 H new ATOM 0 HH12 ARG A 472 49.889 -8.127 6.144 1.00 1.00 H new ATOM 0 HH21 ARG A 472 53.031 -7.899 7.662 1.00 1.00 H new ATOM 0 HH22 ARG A 472 51.336 -7.405 7.724 1.00 1.00 H new ATOM 737 N LYS A 473 53.787 -14.760 3.454 1.00 1.00 N ATOM 738 CA LYS A 473 53.677 -15.856 4.410 1.00 1.00 C ATOM 739 C LYS A 473 54.764 -16.897 4.158 1.00 1.00 C ATOM 740 O LYS A 473 54.434 -18.070 4.114 1.00 1.00 O ATOM 741 CB LYS A 473 52.300 -16.514 4.293 1.00 1.00 C ATOM 742 CG LYS A 473 51.223 -15.535 4.765 1.00 1.00 C ATOM 743 CD LYS A 473 49.846 -16.190 4.636 1.00 1.00 C ATOM 744 CE LYS A 473 48.769 -15.214 5.114 1.00 1.00 C ATOM 745 NZ LYS A 473 47.427 -15.849 4.980 1.00 1.00 N ATOM 746 OXT LYS A 473 55.909 -16.504 4.014 1.00 1.00 O ATOM 0 H LYS A 473 53.122 -14.801 2.681 1.00 1.00 H new ATOM 0 HA LYS A 473 53.802 -15.452 5.415 1.00 1.00 H new ATOM 0 HB2 LYS A 473 52.112 -16.807 3.260 1.00 1.00 H new ATOM 0 HB3 LYS A 473 52.268 -17.423 4.893 1.00 1.00 H new ATOM 0 HG2 LYS A 473 51.406 -15.249 5.801 1.00 1.00 H new ATOM 0 HG3 LYS A 473 51.260 -14.622 4.170 1.00 1.00 H new ATOM 0 HD2 LYS A 473 49.662 -16.472 3.599 1.00 1.00 H new ATOM 0 HD3 LYS A 473 49.810 -17.105 5.227 1.00 1.00 H new ATOM 0 HE2 LYS A 473 48.950 -14.937 6.153 1.00 1.00 H new ATOM 0 HE3 LYS A 473 48.809 -14.296 4.527 1.00 1.00 H new ATOM 0 HZ1 LYS A 473 46.695 -15.186 5.305 1.00 1.00 H new ATOM 0 HZ2 LYS A 473 47.256 -16.092 3.983 1.00 1.00 H new ATOM 0 HZ3 LYS A 473 47.392 -16.713 5.558 1.00 1.00 H new TER 760 LYS A 473