USER MOD reduce.3.24.130724 H: found=0, std=0, add=884, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 882 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 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 168:sc= -0.0432 (180deg=-0.202) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 ASN : amide:sc= -0.28 X(o=-0.28,f=-0.28) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= -0.0296 K(o=-0.03,f=-2.8!) USER MOD Single : A 19 LYS NZ :NH3+ -159:sc= 0 (180deg=-0.278) USER MOD Single : A 21 ASN : amide:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 22 THR OG1 : rot 180:sc= -0.0482 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= -0.0618 USER MOD Single : A 26 SER OG : rot 180:sc= -0.261 USER MOD Single : A 28 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 SER OG : rot 180:sc= 0.0933 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 36 HIS : no HE2:sc= -6.93! C(o=-6.9!,f=-7.8!) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ -138:sc= -0.328 (180deg=-1.36) USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 HIS :FLIP no HE2:sc= -0.96 F(o=-1.6,f=-0.96) USER MOD Single : A 59 CYS SG : rot 180:sc= -2.33 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.107 K(o=-0.11,f=-0.8) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 GLN :FLIP amide:sc= -0.158 F(o=-1.2,f=-0.16) USER MOD Single : A 71 THR OG1 : rot 66:sc= 0.869 USER MOD Single : A 76 LYS NZ :NH3+ 155:sc= -0.3 (180deg=-1.53!) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 THR OG1 : rot -160:sc= -2.78! USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 25.538 -47.220 15.546 1.00 0.00 N ATOM 2 CA MET A 1 24.584 -46.115 15.245 1.00 0.00 C ATOM 3 C MET A 1 25.361 -44.887 14.765 1.00 0.00 C ATOM 4 O MET A 1 24.942 -43.762 14.955 1.00 0.00 O ATOM 5 CB MET A 1 23.800 -45.760 16.510 1.00 0.00 C ATOM 6 CG MET A 1 22.357 -46.249 16.369 1.00 0.00 C ATOM 7 SD MET A 1 22.061 -47.597 17.541 1.00 0.00 S ATOM 8 CE MET A 1 20.840 -48.493 16.552 1.00 0.00 C ATOM 0 H1 MET A 1 25.042 -47.977 16.059 1.00 0.00 H new ATOM 0 H2 MET A 1 25.922 -47.599 14.657 1.00 0.00 H new ATOM 0 H3 MET A 1 26.316 -46.857 16.132 1.00 0.00 H new ATOM 0 HA MET A 1 23.892 -46.434 14.466 1.00 0.00 H new ATOM 0 HB2 MET A 1 24.267 -46.219 17.381 1.00 0.00 H new ATOM 0 HB3 MET A 1 23.816 -44.682 16.670 1.00 0.00 H new ATOM 0 HG2 MET A 1 21.664 -45.429 16.558 1.00 0.00 H new ATOM 0 HG3 MET A 1 22.175 -46.592 15.350 1.00 0.00 H new ATOM 0 HE1 MET A 1 20.513 -49.380 17.094 1.00 0.00 H new ATOM 0 HE2 MET A 1 19.983 -47.848 16.360 1.00 0.00 H new ATOM 0 HE3 MET A 1 21.288 -48.792 15.604 1.00 0.00 H new ATOM 20 N THR A 2 26.489 -45.092 14.143 1.00 0.00 N ATOM 21 CA THR A 2 27.290 -43.936 13.651 1.00 0.00 C ATOM 22 C THR A 2 27.823 -44.245 12.250 1.00 0.00 C ATOM 23 O THR A 2 28.755 -43.625 11.778 1.00 0.00 O ATOM 24 CB THR A 2 28.465 -43.686 14.599 1.00 0.00 C ATOM 25 OG1 THR A 2 29.267 -44.857 14.676 1.00 0.00 O ATOM 26 CG2 THR A 2 27.936 -43.335 15.990 1.00 0.00 C ATOM 0 H THR A 2 26.891 -46.010 13.954 1.00 0.00 H new ATOM 0 HA THR A 2 26.659 -43.048 13.614 1.00 0.00 H new ATOM 0 HB THR A 2 29.066 -42.858 14.223 1.00 0.00 H new ATOM 0 HG1 THR A 2 30.021 -44.698 15.281 1.00 0.00 H new ATOM 0 HG21 THR A 2 28.774 -43.157 16.664 1.00 0.00 H new ATOM 0 HG22 THR A 2 27.322 -42.436 15.930 1.00 0.00 H new ATOM 0 HG23 THR A 2 27.334 -44.161 16.369 1.00 0.00 H new ATOM 34 N VAL A 3 27.235 -45.200 11.581 1.00 0.00 N ATOM 35 CA VAL A 3 27.707 -45.549 10.211 1.00 0.00 C ATOM 36 C VAL A 3 26.979 -44.679 9.185 1.00 0.00 C ATOM 37 O VAL A 3 27.582 -44.128 8.285 1.00 0.00 O ATOM 38 CB VAL A 3 27.414 -47.024 9.933 1.00 0.00 C ATOM 39 CG1 VAL A 3 28.306 -47.516 8.792 1.00 0.00 C ATOM 40 CG2 VAL A 3 27.703 -47.844 11.194 1.00 0.00 C ATOM 0 H VAL A 3 26.449 -45.753 11.924 1.00 0.00 H new ATOM 0 HA VAL A 3 28.780 -45.373 10.138 1.00 0.00 H new ATOM 0 HB VAL A 3 26.367 -47.141 9.652 1.00 0.00 H new ATOM 0 HG11 VAL A 3 28.097 -48.567 8.594 1.00 0.00 H new ATOM 0 HG12 VAL A 3 28.105 -46.931 7.895 1.00 0.00 H new ATOM 0 HG13 VAL A 3 29.353 -47.401 9.073 1.00 0.00 H new ATOM 0 HG21 VAL A 3 27.495 -48.896 10.999 1.00 0.00 H new ATOM 0 HG22 VAL A 3 28.750 -47.726 11.472 1.00 0.00 H new ATOM 0 HG23 VAL A 3 27.069 -47.494 12.009 1.00 0.00 H new ATOM 50 N ILE A 4 25.687 -44.547 9.313 1.00 0.00 N ATOM 51 CA ILE A 4 24.925 -43.709 8.345 1.00 0.00 C ATOM 52 C ILE A 4 23.834 -42.936 9.089 1.00 0.00 C ATOM 53 O ILE A 4 23.238 -43.431 10.025 1.00 0.00 O ATOM 54 CB ILE A 4 24.280 -44.604 7.285 1.00 0.00 C ATOM 55 CG1 ILE A 4 23.273 -43.786 6.473 1.00 0.00 C ATOM 56 CG2 ILE A 4 23.560 -45.769 7.964 1.00 0.00 C ATOM 57 CD1 ILE A 4 22.725 -44.641 5.328 1.00 0.00 C ATOM 0 H ILE A 4 25.127 -44.983 10.045 1.00 0.00 H new ATOM 0 HA ILE A 4 25.605 -43.008 7.861 1.00 0.00 H new ATOM 0 HB ILE A 4 25.053 -44.994 6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 4 22.457 -43.453 7.115 1.00 0.00 H new ATOM 0 HG13 ILE A 4 23.752 -42.891 6.076 1.00 0.00 H new ATOM 0 HG21 ILE A 4 23.102 -46.405 7.206 1.00 0.00 H new ATOM 0 HG22 ILE A 4 24.277 -46.352 8.542 1.00 0.00 H new ATOM 0 HG23 ILE A 4 22.788 -45.382 8.628 1.00 0.00 H new ATOM 0 HD11 ILE A 4 22.008 -44.058 4.750 1.00 0.00 H new ATOM 0 HD12 ILE A 4 23.545 -44.952 4.681 1.00 0.00 H new ATOM 0 HD13 ILE A 4 22.231 -45.523 5.736 1.00 0.00 H new ATOM 69 N LYS A 5 23.569 -41.726 8.681 1.00 0.00 N ATOM 70 CA LYS A 5 22.517 -40.922 9.364 1.00 0.00 C ATOM 71 C LYS A 5 21.162 -41.183 8.700 1.00 0.00 C ATOM 72 O LYS A 5 21.100 -41.524 7.535 1.00 0.00 O ATOM 73 CB LYS A 5 22.861 -39.435 9.257 1.00 0.00 C ATOM 74 CG LYS A 5 23.307 -39.115 7.829 1.00 0.00 C ATOM 75 CD LYS A 5 23.036 -37.639 7.528 1.00 0.00 C ATOM 76 CE LYS A 5 23.599 -37.286 6.151 1.00 0.00 C ATOM 77 NZ LYS A 5 22.480 -36.936 5.231 1.00 0.00 N ATOM 0 H LYS A 5 24.036 -41.259 7.904 1.00 0.00 H new ATOM 0 HA LYS A 5 22.467 -41.208 10.415 1.00 0.00 H new ATOM 0 HB2 LYS A 5 21.994 -38.830 9.522 1.00 0.00 H new ATOM 0 HB3 LYS A 5 23.653 -39.183 9.962 1.00 0.00 H new ATOM 0 HG2 LYS A 5 24.369 -39.332 7.711 1.00 0.00 H new ATOM 0 HG3 LYS A 5 22.772 -39.746 7.119 1.00 0.00 H new ATOM 0 HD2 LYS A 5 21.964 -37.442 7.555 1.00 0.00 H new ATOM 0 HD3 LYS A 5 23.495 -37.011 8.292 1.00 0.00 H new ATOM 0 HE2 LYS A 5 24.292 -36.448 6.233 1.00 0.00 H new ATOM 0 HE3 LYS A 5 24.163 -38.128 5.750 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 22.863 -36.696 4.294 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 21.835 -37.748 5.144 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 21.960 -36.120 5.612 1.00 0.00 H new ATOM 91 N PRO A 6 20.114 -41.013 9.466 1.00 0.00 N ATOM 92 CA PRO A 6 18.736 -41.222 8.987 1.00 0.00 C ATOM 93 C PRO A 6 18.275 -40.020 8.158 1.00 0.00 C ATOM 94 O PRO A 6 18.029 -40.127 6.972 1.00 0.00 O ATOM 95 CB PRO A 6 17.922 -41.340 10.278 1.00 0.00 C ATOM 96 CG PRO A 6 18.751 -40.640 11.382 1.00 0.00 C ATOM 97 CD PRO A 6 20.207 -40.598 10.881 1.00 0.00 C ATOM 0 HA PRO A 6 18.631 -42.095 8.343 1.00 0.00 H new ATOM 0 HB2 PRO A 6 16.946 -40.867 10.166 1.00 0.00 H new ATOM 0 HB3 PRO A 6 17.743 -42.385 10.530 1.00 0.00 H new ATOM 0 HG2 PRO A 6 18.376 -39.633 11.568 1.00 0.00 H new ATOM 0 HG3 PRO A 6 18.681 -41.185 12.323 1.00 0.00 H new ATOM 0 HD2 PRO A 6 20.633 -39.599 10.976 1.00 0.00 H new ATOM 0 HD3 PRO A 6 20.845 -41.272 11.453 1.00 0.00 H new ATOM 105 N SER A 7 18.157 -38.876 8.774 1.00 0.00 N ATOM 106 CA SER A 7 17.714 -37.667 8.026 1.00 0.00 C ATOM 107 C SER A 7 18.558 -36.467 8.456 1.00 0.00 C ATOM 108 O SER A 7 19.700 -36.608 8.847 1.00 0.00 O ATOM 109 CB SER A 7 16.242 -37.389 8.331 1.00 0.00 C ATOM 110 OG SER A 7 15.577 -37.008 7.134 1.00 0.00 O ATOM 0 H SER A 7 18.349 -38.727 9.765 1.00 0.00 H new ATOM 0 HA SER A 7 17.837 -37.836 6.956 1.00 0.00 H new ATOM 0 HB2 SER A 7 15.773 -38.277 8.754 1.00 0.00 H new ATOM 0 HB3 SER A 7 16.156 -36.598 9.076 1.00 0.00 H new ATOM 0 HG SER A 7 14.633 -36.831 7.327 1.00 0.00 H new ATOM 116 N SER A 8 18.006 -35.287 8.392 1.00 0.00 N ATOM 117 CA SER A 8 18.778 -34.081 8.802 1.00 0.00 C ATOM 118 C SER A 8 17.850 -33.105 9.527 1.00 0.00 C ATOM 119 O SER A 8 16.675 -33.015 9.230 1.00 0.00 O ATOM 120 CB SER A 8 19.366 -33.403 7.564 1.00 0.00 C ATOM 121 OG SER A 8 20.396 -34.221 7.025 1.00 0.00 O ATOM 0 H SER A 8 17.054 -35.106 8.074 1.00 0.00 H new ATOM 0 HA SER A 8 19.587 -34.378 9.469 1.00 0.00 H new ATOM 0 HB2 SER A 8 18.587 -33.241 6.819 1.00 0.00 H new ATOM 0 HB3 SER A 8 19.764 -32.423 7.827 1.00 0.00 H new ATOM 0 HG SER A 8 20.774 -33.790 6.230 1.00 0.00 H new ATOM 127 N ARG A 9 18.367 -32.374 10.475 1.00 0.00 N ATOM 128 CA ARG A 9 17.516 -31.404 11.217 1.00 0.00 C ATOM 129 C ARG A 9 17.059 -30.284 10.276 1.00 0.00 C ATOM 130 O ARG A 9 15.883 -29.993 10.191 1.00 0.00 O ATOM 131 CB ARG A 9 18.317 -30.804 12.375 1.00 0.00 C ATOM 132 CG ARG A 9 17.563 -31.023 13.688 1.00 0.00 C ATOM 133 CD ARG A 9 17.654 -29.760 14.548 1.00 0.00 C ATOM 134 NE ARG A 9 16.685 -29.856 15.674 1.00 0.00 N ATOM 135 CZ ARG A 9 17.014 -29.417 16.859 1.00 0.00 C ATOM 136 NH1 ARG A 9 18.090 -29.864 17.445 1.00 0.00 N ATOM 137 NH2 ARG A 9 16.265 -28.533 17.458 1.00 0.00 N ATOM 0 H ARG A 9 19.343 -32.407 10.768 1.00 0.00 H new ATOM 0 HA ARG A 9 16.640 -31.922 11.608 1.00 0.00 H new ATOM 0 HB2 ARG A 9 19.302 -31.268 12.428 1.00 0.00 H new ATOM 0 HB3 ARG A 9 18.475 -29.739 12.208 1.00 0.00 H new ATOM 0 HG2 ARG A 9 16.519 -31.262 13.484 1.00 0.00 H new ATOM 0 HG3 ARG A 9 17.986 -31.872 14.225 1.00 0.00 H new ATOM 0 HD2 ARG A 9 18.666 -29.642 14.934 1.00 0.00 H new ATOM 0 HD3 ARG A 9 17.439 -28.879 13.943 1.00 0.00 H new ATOM 0 HE ARG A 9 15.763 -30.265 15.520 1.00 0.00 H new ATOM 0 HH11 ARG A 9 18.675 -30.557 16.978 1.00 0.00 H new ATOM 0 HH12 ARG A 9 18.347 -29.521 18.371 1.00 0.00 H new ATOM 0 HH21 ARG A 9 15.422 -28.185 17.001 1.00 0.00 H new ATOM 0 HH22 ARG A 9 16.522 -28.190 18.384 1.00 0.00 H new ATOM 151 N PRO A 10 18.007 -29.683 9.600 1.00 0.00 N ATOM 152 CA PRO A 10 17.731 -28.581 8.660 1.00 0.00 C ATOM 153 C PRO A 10 17.196 -29.121 7.329 1.00 0.00 C ATOM 154 O PRO A 10 17.915 -29.724 6.557 1.00 0.00 O ATOM 155 CB PRO A 10 19.099 -27.921 8.472 1.00 0.00 C ATOM 156 CG PRO A 10 20.155 -28.989 8.843 1.00 0.00 C ATOM 157 CD PRO A 10 19.436 -30.041 9.709 1.00 0.00 C ATOM 0 HA PRO A 10 16.973 -27.889 9.026 1.00 0.00 H new ATOM 0 HB2 PRO A 10 19.230 -27.586 7.443 1.00 0.00 H new ATOM 0 HB3 PRO A 10 19.196 -27.041 9.108 1.00 0.00 H new ATOM 0 HG2 PRO A 10 20.574 -29.447 7.947 1.00 0.00 H new ATOM 0 HG3 PRO A 10 20.984 -28.540 9.389 1.00 0.00 H new ATOM 0 HD2 PRO A 10 19.622 -31.051 9.345 1.00 0.00 H new ATOM 0 HD3 PRO A 10 19.778 -30.006 10.743 1.00 0.00 H new ATOM 165 N ARG A 11 15.939 -28.898 7.053 1.00 0.00 N ATOM 166 CA ARG A 11 15.353 -29.386 5.772 1.00 0.00 C ATOM 167 C ARG A 11 15.421 -30.916 5.715 1.00 0.00 C ATOM 168 O ARG A 11 16.397 -31.475 5.257 1.00 0.00 O ATOM 169 CB ARG A 11 16.138 -28.798 4.597 1.00 0.00 C ATOM 170 CG ARG A 11 15.286 -27.744 3.888 1.00 0.00 C ATOM 171 CD ARG A 11 15.979 -26.383 3.975 1.00 0.00 C ATOM 172 NE ARG A 11 15.153 -25.360 3.274 1.00 0.00 N ATOM 173 CZ ARG A 11 15.658 -24.188 3.001 1.00 0.00 C ATOM 174 NH1 ARG A 11 16.910 -24.082 2.649 1.00 0.00 N ATOM 175 NH2 ARG A 11 14.912 -23.121 3.081 1.00 0.00 N ATOM 0 H ARG A 11 15.291 -28.397 7.662 1.00 0.00 H new ATOM 0 HA ARG A 11 14.311 -29.072 5.712 1.00 0.00 H new ATOM 0 HB2 ARG A 11 17.066 -28.351 4.954 1.00 0.00 H new ATOM 0 HB3 ARG A 11 16.413 -29.588 3.898 1.00 0.00 H new ATOM 0 HG2 ARG A 11 15.138 -28.022 2.845 1.00 0.00 H new ATOM 0 HG3 ARG A 11 14.299 -27.691 4.347 1.00 0.00 H new ATOM 0 HD2 ARG A 11 16.119 -26.100 5.018 1.00 0.00 H new ATOM 0 HD3 ARG A 11 16.970 -26.438 3.524 1.00 0.00 H new ATOM 0 HE ARG A 11 14.192 -25.576 3.007 1.00 0.00 H new ATOM 0 HH11 ARG A 11 17.495 -24.915 2.587 1.00 0.00 H new ATOM 0 HH12 ARG A 11 17.304 -23.166 2.436 1.00 0.00 H new ATOM 0 HH21 ARG A 11 13.933 -23.202 3.357 1.00 0.00 H new ATOM 0 HH22 ARG A 11 15.307 -22.205 2.868 1.00 0.00 H new ATOM 189 N PRO A 12 14.370 -31.545 6.174 1.00 0.00 N ATOM 190 CA PRO A 12 14.268 -33.014 6.184 1.00 0.00 C ATOM 191 C PRO A 12 13.912 -33.531 4.787 1.00 0.00 C ATOM 192 O PRO A 12 13.815 -32.773 3.843 1.00 0.00 O ATOM 193 CB PRO A 12 13.130 -33.289 7.172 1.00 0.00 C ATOM 194 CG PRO A 12 12.284 -31.994 7.232 1.00 0.00 C ATOM 195 CD PRO A 12 13.189 -30.852 6.729 1.00 0.00 C ATOM 0 HA PRO A 12 15.198 -33.507 6.465 1.00 0.00 H new ATOM 0 HB2 PRO A 12 12.525 -34.134 6.843 1.00 0.00 H new ATOM 0 HB3 PRO A 12 13.523 -33.543 8.157 1.00 0.00 H new ATOM 0 HG2 PRO A 12 11.393 -32.084 6.611 1.00 0.00 H new ATOM 0 HG3 PRO A 12 11.945 -31.800 8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 12 12.687 -30.250 5.971 1.00 0.00 H new ATOM 0 HD3 PRO A 12 13.467 -30.178 7.539 1.00 0.00 H new ATOM 203 N ARG A 13 13.718 -34.813 4.649 1.00 0.00 N ATOM 204 CA ARG A 13 13.369 -35.373 3.313 1.00 0.00 C ATOM 205 C ARG A 13 12.753 -36.763 3.488 1.00 0.00 C ATOM 206 O ARG A 13 13.193 -37.728 2.893 1.00 0.00 O ATOM 207 CB ARG A 13 14.632 -35.477 2.457 1.00 0.00 C ATOM 208 CG ARG A 13 14.341 -34.944 1.053 1.00 0.00 C ATOM 209 CD ARG A 13 15.021 -35.840 0.017 1.00 0.00 C ATOM 210 NE ARG A 13 14.016 -36.284 -0.991 1.00 0.00 N ATOM 211 CZ ARG A 13 14.297 -36.217 -2.263 1.00 0.00 C ATOM 212 NH1 ARG A 13 14.876 -37.223 -2.857 1.00 0.00 N ATOM 213 NH2 ARG A 13 13.997 -35.143 -2.942 1.00 0.00 N ATOM 0 H ARG A 13 13.786 -35.497 5.403 1.00 0.00 H new ATOM 0 HA ARG A 13 12.651 -34.717 2.820 1.00 0.00 H new ATOM 0 HB2 ARG A 13 15.442 -34.907 2.913 1.00 0.00 H new ATOM 0 HB3 ARG A 13 14.963 -36.514 2.403 1.00 0.00 H new ATOM 0 HG2 ARG A 13 13.265 -34.919 0.878 1.00 0.00 H new ATOM 0 HG3 ARG A 13 14.704 -33.920 0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 13 15.829 -35.298 -0.474 1.00 0.00 H new ATOM 0 HD3 ARG A 13 15.468 -36.705 0.506 1.00 0.00 H new ATOM 0 HE ARG A 13 13.110 -36.640 -0.686 1.00 0.00 H new ATOM 0 HH11 ARG A 13 15.109 -38.063 -2.327 1.00 0.00 H new ATOM 0 HH12 ARG A 13 15.096 -37.170 -3.852 1.00 0.00 H new ATOM 0 HH21 ARG A 13 13.543 -34.356 -2.478 1.00 0.00 H new ATOM 0 HH22 ARG A 13 14.217 -35.091 -3.937 1.00 0.00 H new ATOM 227 N LYS A 14 11.737 -36.874 4.300 1.00 0.00 N ATOM 228 CA LYS A 14 11.094 -38.202 4.512 1.00 0.00 C ATOM 229 C LYS A 14 10.858 -38.875 3.159 1.00 0.00 C ATOM 230 O LYS A 14 11.196 -40.025 2.961 1.00 0.00 O ATOM 231 CB LYS A 14 9.756 -38.011 5.230 1.00 0.00 C ATOM 232 CG LYS A 14 9.999 -37.390 6.606 1.00 0.00 C ATOM 233 CD LYS A 14 9.697 -38.423 7.693 1.00 0.00 C ATOM 234 CE LYS A 14 10.048 -37.839 9.063 1.00 0.00 C ATOM 235 NZ LYS A 14 8.968 -38.168 10.035 1.00 0.00 N ATOM 0 H LYS A 14 11.325 -36.103 4.825 1.00 0.00 H new ATOM 0 HA LYS A 14 11.745 -38.830 5.120 1.00 0.00 H new ATOM 0 HB2 LYS A 14 9.103 -37.368 4.640 1.00 0.00 H new ATOM 0 HB3 LYS A 14 9.248 -38.970 5.337 1.00 0.00 H new ATOM 0 HG2 LYS A 14 11.032 -37.053 6.687 1.00 0.00 H new ATOM 0 HG3 LYS A 14 9.366 -36.512 6.738 1.00 0.00 H new ATOM 0 HD2 LYS A 14 8.643 -38.701 7.663 1.00 0.00 H new ATOM 0 HD3 LYS A 14 10.271 -39.332 7.515 1.00 0.00 H new ATOM 0 HE2 LYS A 14 10.999 -38.243 9.410 1.00 0.00 H new ATOM 0 HE3 LYS A 14 10.169 -36.758 8.989 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 9.206 -37.771 10.966 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 8.069 -37.762 9.706 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 8.874 -39.201 10.113 1.00 0.00 H new ATOM 249 N ASN A 15 10.281 -38.168 2.225 1.00 0.00 N ATOM 250 CA ASN A 15 10.025 -38.770 0.885 1.00 0.00 C ATOM 251 C ASN A 15 10.391 -37.761 -0.206 1.00 0.00 C ATOM 252 O ASN A 15 10.768 -36.641 0.073 1.00 0.00 O ATOM 253 CB ASN A 15 8.545 -39.138 0.765 1.00 0.00 C ATOM 254 CG ASN A 15 8.138 -40.013 1.953 1.00 0.00 C ATOM 255 OD1 ASN A 15 8.505 -41.169 2.025 1.00 0.00 O ATOM 256 ND2 ASN A 15 7.389 -39.507 2.895 1.00 0.00 N ATOM 0 H ASN A 15 9.976 -37.201 2.332 1.00 0.00 H new ATOM 0 HA ASN A 15 10.632 -39.667 0.768 1.00 0.00 H new ATOM 0 HB2 ASN A 15 7.936 -38.235 0.740 1.00 0.00 H new ATOM 0 HB3 ASN A 15 8.366 -39.669 -0.170 1.00 0.00 H new ATOM 0 HD21 ASN A 15 7.112 -40.082 3.691 1.00 0.00 H new ATOM 0 HD22 ASN A 15 7.081 -38.537 2.835 1.00 0.00 H new ATOM 263 N LYS A 16 10.281 -38.149 -1.447 1.00 0.00 N ATOM 264 CA LYS A 16 10.623 -37.211 -2.554 1.00 0.00 C ATOM 265 C LYS A 16 9.365 -36.455 -2.990 1.00 0.00 C ATOM 266 O LYS A 16 9.429 -35.524 -3.771 1.00 0.00 O ATOM 267 CB LYS A 16 11.179 -38.002 -3.740 1.00 0.00 C ATOM 268 CG LYS A 16 12.203 -39.022 -3.238 1.00 0.00 C ATOM 269 CD LYS A 16 13.031 -39.539 -4.415 1.00 0.00 C ATOM 270 CE LYS A 16 13.532 -40.951 -4.108 1.00 0.00 C ATOM 271 NZ LYS A 16 14.069 -41.570 -5.353 1.00 0.00 N ATOM 0 H LYS A 16 9.969 -39.074 -1.742 1.00 0.00 H new ATOM 0 HA LYS A 16 11.373 -36.500 -2.208 1.00 0.00 H new ATOM 0 HB2 LYS A 16 10.369 -38.511 -4.263 1.00 0.00 H new ATOM 0 HB3 LYS A 16 11.645 -37.325 -4.456 1.00 0.00 H new ATOM 0 HG2 LYS A 16 12.855 -38.562 -2.495 1.00 0.00 H new ATOM 0 HG3 LYS A 16 11.694 -39.851 -2.746 1.00 0.00 H new ATOM 0 HD2 LYS A 16 12.427 -39.546 -5.322 1.00 0.00 H new ATOM 0 HD3 LYS A 16 13.875 -38.874 -4.599 1.00 0.00 H new ATOM 0 HE2 LYS A 16 14.308 -40.915 -3.343 1.00 0.00 H new ATOM 0 HE3 LYS A 16 12.719 -41.558 -3.709 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 14.410 -42.530 -5.144 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 13.317 -41.618 -6.069 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 14.856 -40.995 -5.715 1.00 0.00 H new ATOM 285 N ASN A 17 8.223 -36.844 -2.492 1.00 0.00 N ATOM 286 CA ASN A 17 6.964 -36.146 -2.877 1.00 0.00 C ATOM 287 C ASN A 17 5.914 -36.348 -1.784 1.00 0.00 C ATOM 288 O ASN A 17 5.576 -37.461 -1.433 1.00 0.00 O ATOM 289 CB ASN A 17 6.445 -36.722 -4.196 1.00 0.00 C ATOM 290 CG ASN A 17 5.311 -35.842 -4.726 1.00 0.00 C ATOM 291 OD1 ASN A 17 5.053 -34.781 -4.196 1.00 0.00 O ATOM 292 ND2 ASN A 17 4.620 -36.241 -5.760 1.00 0.00 N ATOM 0 H ASN A 17 8.108 -37.615 -1.835 1.00 0.00 H new ATOM 0 HA ASN A 17 7.161 -35.081 -2.998 1.00 0.00 H new ATOM 0 HB2 ASN A 17 7.253 -36.772 -4.926 1.00 0.00 H new ATOM 0 HB3 ASN A 17 6.089 -37.741 -4.045 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.863 -35.661 -6.122 1.00 0.00 H new ATOM 0 HD22 ASN A 17 4.837 -37.133 -6.205 1.00 0.00 H new ATOM 299 N ILE A 18 5.395 -35.281 -1.241 1.00 0.00 N ATOM 300 CA ILE A 18 4.367 -35.414 -0.170 1.00 0.00 C ATOM 301 C ILE A 18 2.979 -35.163 -0.761 1.00 0.00 C ATOM 302 O ILE A 18 2.004 -35.766 -0.361 1.00 0.00 O ATOM 303 CB ILE A 18 4.644 -34.390 0.932 1.00 0.00 C ATOM 304 CG1 ILE A 18 6.116 -34.468 1.339 1.00 0.00 C ATOM 305 CG2 ILE A 18 3.762 -34.693 2.144 1.00 0.00 C ATOM 306 CD1 ILE A 18 6.729 -33.066 1.308 1.00 0.00 C ATOM 0 H ILE A 18 5.638 -34.323 -1.493 1.00 0.00 H new ATOM 0 HA ILE A 18 4.407 -36.419 0.249 1.00 0.00 H new ATOM 0 HB ILE A 18 4.421 -33.389 0.563 1.00 0.00 H new ATOM 0 HG12 ILE A 18 6.206 -34.894 2.338 1.00 0.00 H new ATOM 0 HG13 ILE A 18 6.657 -35.128 0.661 1.00 0.00 H new ATOM 0 HG21 ILE A 18 3.959 -33.963 2.929 1.00 0.00 H new ATOM 0 HG22 ILE A 18 2.713 -34.638 1.853 1.00 0.00 H new ATOM 0 HG23 ILE A 18 3.984 -35.694 2.515 1.00 0.00 H new ATOM 0 HD11 ILE A 18 7.778 -33.121 1.598 1.00 0.00 H new ATOM 0 HD12 ILE A 18 6.652 -32.657 0.300 1.00 0.00 H new ATOM 0 HD13 ILE A 18 6.194 -32.419 2.003 1.00 0.00 H new ATOM 318 N LYS A 19 2.881 -34.273 -1.711 1.00 0.00 N ATOM 319 CA LYS A 19 1.556 -33.983 -2.327 1.00 0.00 C ATOM 320 C LYS A 19 0.843 -35.297 -2.649 1.00 0.00 C ATOM 321 O LYS A 19 1.422 -36.363 -2.584 1.00 0.00 O ATOM 322 CB LYS A 19 1.759 -33.182 -3.614 1.00 0.00 C ATOM 323 CG LYS A 19 1.081 -31.817 -3.478 1.00 0.00 C ATOM 324 CD LYS A 19 1.660 -31.079 -2.268 1.00 0.00 C ATOM 325 CE LYS A 19 2.531 -29.916 -2.748 1.00 0.00 C ATOM 326 NZ LYS A 19 3.643 -30.443 -3.589 1.00 0.00 N ATOM 0 H LYS A 19 3.662 -33.735 -2.087 1.00 0.00 H new ATOM 0 HA LYS A 19 0.949 -33.404 -1.630 1.00 0.00 H new ATOM 0 HB2 LYS A 19 2.823 -33.053 -3.811 1.00 0.00 H new ATOM 0 HB3 LYS A 19 1.341 -33.724 -4.462 1.00 0.00 H new ATOM 0 HG2 LYS A 19 1.235 -31.230 -4.384 1.00 0.00 H new ATOM 0 HG3 LYS A 19 0.005 -31.943 -3.360 1.00 0.00 H new ATOM 0 HD2 LYS A 19 0.854 -30.707 -1.636 1.00 0.00 H new ATOM 0 HD3 LYS A 19 2.252 -31.764 -1.660 1.00 0.00 H new ATOM 0 HE2 LYS A 19 1.930 -29.210 -3.321 1.00 0.00 H new ATOM 0 HE3 LYS A 19 2.933 -29.372 -1.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 4.415 -29.746 -3.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 3.996 -31.332 -3.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 3.296 -30.619 -4.553 1.00 0.00 H new ATOM 340 N VAL A 20 -0.413 -35.229 -3.001 1.00 0.00 N ATOM 341 CA VAL A 20 -1.163 -36.474 -3.329 1.00 0.00 C ATOM 342 C VAL A 20 -1.819 -36.328 -4.705 1.00 0.00 C ATOM 343 O VAL A 20 -2.442 -37.244 -5.204 1.00 0.00 O ATOM 344 CB VAL A 20 -2.245 -36.713 -2.274 1.00 0.00 C ATOM 345 CG1 VAL A 20 -3.097 -35.452 -2.120 1.00 0.00 C ATOM 346 CG2 VAL A 20 -3.134 -37.878 -2.713 1.00 0.00 C ATOM 0 H VAL A 20 -0.951 -34.366 -3.075 1.00 0.00 H new ATOM 0 HA VAL A 20 -0.474 -37.318 -3.341 1.00 0.00 H new ATOM 0 HB VAL A 20 -1.775 -36.952 -1.320 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -3.868 -35.623 -1.368 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -2.464 -34.621 -1.808 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -3.567 -35.212 -3.074 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -3.906 -38.050 -1.962 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -3.603 -37.638 -3.667 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -2.528 -38.777 -2.822 1.00 0.00 H new ATOM 356 N ASN A 21 -1.683 -35.187 -5.322 1.00 0.00 N ATOM 357 CA ASN A 21 -2.298 -34.988 -6.663 1.00 0.00 C ATOM 358 C ASN A 21 -1.201 -34.952 -7.728 1.00 0.00 C ATOM 359 O ASN A 21 -0.183 -34.310 -7.563 1.00 0.00 O ATOM 360 CB ASN A 21 -3.068 -33.665 -6.680 1.00 0.00 C ATOM 361 CG ASN A 21 -4.468 -33.897 -7.250 1.00 0.00 C ATOM 362 OD1 ASN A 21 -5.285 -34.556 -6.639 1.00 0.00 O ATOM 363 ND2 ASN A 21 -4.782 -33.378 -8.406 1.00 0.00 N ATOM 0 H ASN A 21 -1.172 -34.384 -4.955 1.00 0.00 H new ATOM 0 HA ASN A 21 -2.982 -35.810 -6.874 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -3.137 -33.259 -5.671 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -2.535 -32.930 -7.283 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -5.713 -33.526 -8.796 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -4.096 -32.824 -8.920 1.00 0.00 H new ATOM 370 N THR A 22 -1.399 -35.636 -8.821 1.00 0.00 N ATOM 371 CA THR A 22 -0.366 -35.639 -9.894 1.00 0.00 C ATOM 372 C THR A 22 -0.316 -34.260 -10.555 1.00 0.00 C ATOM 373 O THR A 22 -1.199 -33.443 -10.379 1.00 0.00 O ATOM 374 CB THR A 22 -0.722 -36.695 -10.942 1.00 0.00 C ATOM 375 OG1 THR A 22 0.325 -36.781 -11.900 1.00 0.00 O ATOM 376 CG2 THR A 22 -2.027 -36.306 -11.642 1.00 0.00 C ATOM 0 H THR A 22 -2.231 -36.193 -9.017 1.00 0.00 H new ATOM 0 HA THR A 22 0.607 -35.871 -9.462 1.00 0.00 H new ATOM 0 HB THR A 22 -0.850 -37.661 -10.454 1.00 0.00 H new ATOM 0 HG1 THR A 22 0.099 -37.458 -12.571 1.00 0.00 H new ATOM 0 HG21 THR A 22 -2.278 -37.060 -12.388 1.00 0.00 H new ATOM 0 HG22 THR A 22 -2.829 -36.242 -10.907 1.00 0.00 H new ATOM 0 HG23 THR A 22 -1.904 -35.339 -12.130 1.00 0.00 H new ATOM 384 N TYR A 23 0.711 -33.993 -11.315 1.00 0.00 N ATOM 385 CA TYR A 23 0.816 -32.666 -11.985 1.00 0.00 C ATOM 386 C TYR A 23 -0.359 -32.489 -12.950 1.00 0.00 C ATOM 387 O TYR A 23 -0.351 -33.000 -14.052 1.00 0.00 O ATOM 388 CB TYR A 23 2.132 -32.590 -12.761 1.00 0.00 C ATOM 389 CG TYR A 23 3.263 -32.292 -11.806 1.00 0.00 C ATOM 390 CD1 TYR A 23 3.867 -33.333 -11.089 1.00 0.00 C ATOM 391 CD2 TYR A 23 3.707 -30.974 -11.636 1.00 0.00 C ATOM 392 CE1 TYR A 23 4.914 -33.057 -10.201 1.00 0.00 C ATOM 393 CE2 TYR A 23 4.755 -30.697 -10.747 1.00 0.00 C ATOM 394 CZ TYR A 23 5.358 -31.739 -10.030 1.00 0.00 C ATOM 395 OH TYR A 23 6.390 -31.466 -9.154 1.00 0.00 O ATOM 0 H TYR A 23 1.481 -34.636 -11.501 1.00 0.00 H new ATOM 0 HA TYR A 23 0.792 -31.876 -11.235 1.00 0.00 H new ATOM 0 HB2 TYR A 23 2.317 -33.532 -13.278 1.00 0.00 H new ATOM 0 HB3 TYR A 23 2.072 -31.814 -13.524 1.00 0.00 H new ATOM 0 HD1 TYR A 23 3.525 -34.349 -11.221 1.00 0.00 H new ATOM 0 HD2 TYR A 23 3.242 -30.172 -12.190 1.00 0.00 H new ATOM 0 HE1 TYR A 23 5.379 -33.860 -9.648 1.00 0.00 H new ATOM 0 HE2 TYR A 23 5.097 -29.681 -10.615 1.00 0.00 H new ATOM 0 HH TYR A 23 6.574 -30.504 -9.156 1.00 0.00 H new ATOM 405 N ARG A 24 -1.369 -31.769 -12.543 1.00 0.00 N ATOM 406 CA ARG A 24 -2.544 -31.560 -13.434 1.00 0.00 C ATOM 407 C ARG A 24 -2.177 -30.567 -14.539 1.00 0.00 C ATOM 408 O ARG A 24 -1.903 -30.945 -15.661 1.00 0.00 O ATOM 409 CB ARG A 24 -3.711 -31.005 -12.615 1.00 0.00 C ATOM 410 CG ARG A 24 -4.817 -30.525 -13.557 1.00 0.00 C ATOM 411 CD ARG A 24 -5.947 -29.897 -12.738 1.00 0.00 C ATOM 412 NE ARG A 24 -6.662 -30.961 -11.977 1.00 0.00 N ATOM 413 CZ ARG A 24 -7.178 -30.694 -10.809 1.00 0.00 C ATOM 414 NH1 ARG A 24 -8.387 -30.207 -10.727 1.00 0.00 N ATOM 415 NH2 ARG A 24 -6.488 -30.912 -9.723 1.00 0.00 N ATOM 0 H ARG A 24 -1.430 -31.316 -11.631 1.00 0.00 H new ATOM 0 HA ARG A 24 -2.834 -32.510 -13.883 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -4.097 -31.774 -11.946 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.369 -30.181 -11.989 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.417 -29.797 -14.263 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -5.199 -31.361 -14.143 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -5.543 -29.154 -12.051 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -6.642 -29.377 -13.397 1.00 0.00 H new ATOM 0 HE ARG A 24 -6.748 -31.898 -12.370 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -8.927 -30.036 -11.576 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -8.792 -29.998 -9.814 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.543 -31.292 -9.787 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -6.893 -30.703 -8.811 1.00 0.00 H new ATOM 429 N THR A 25 -2.168 -29.298 -14.233 1.00 0.00 N ATOM 430 CA THR A 25 -1.818 -28.286 -15.269 1.00 0.00 C ATOM 431 C THR A 25 -0.804 -27.294 -14.693 1.00 0.00 C ATOM 432 O THR A 25 0.322 -27.213 -15.140 1.00 0.00 O ATOM 433 CB THR A 25 -3.081 -27.533 -15.697 1.00 0.00 C ATOM 434 OG1 THR A 25 -3.989 -28.442 -16.301 1.00 0.00 O ATOM 435 CG2 THR A 25 -2.710 -26.438 -16.699 1.00 0.00 C ATOM 0 H THR A 25 -2.388 -28.919 -13.312 1.00 0.00 H new ATOM 0 HA THR A 25 -1.384 -28.789 -16.134 1.00 0.00 H new ATOM 0 HB THR A 25 -3.548 -27.079 -14.823 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.799 -27.962 -16.574 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.610 -25.903 -17.003 1.00 0.00 H new ATOM 0 HG22 THR A 25 -2.013 -25.741 -16.235 1.00 0.00 H new ATOM 0 HG23 THR A 25 -2.243 -26.889 -17.575 1.00 0.00 H new ATOM 443 N SER A 26 -1.194 -26.539 -13.702 1.00 0.00 N ATOM 444 CA SER A 26 -0.250 -25.555 -13.101 1.00 0.00 C ATOM 445 C SER A 26 -0.505 -25.455 -11.597 1.00 0.00 C ATOM 446 O SER A 26 0.413 -25.397 -10.803 1.00 0.00 O ATOM 447 CB SER A 26 -0.460 -24.184 -13.746 1.00 0.00 C ATOM 448 OG SER A 26 -1.516 -23.507 -13.077 1.00 0.00 O ATOM 0 H SER A 26 -2.124 -26.561 -13.283 1.00 0.00 H new ATOM 0 HA SER A 26 0.774 -25.884 -13.275 1.00 0.00 H new ATOM 0 HB2 SER A 26 0.457 -23.598 -13.688 1.00 0.00 H new ATOM 0 HB3 SER A 26 -0.699 -24.299 -14.803 1.00 0.00 H new ATOM 0 HG SER A 26 -1.652 -22.627 -13.487 1.00 0.00 H new ATOM 454 N ALA A 27 -1.745 -25.436 -11.201 1.00 0.00 N ATOM 455 CA ALA A 27 -2.064 -25.342 -9.749 1.00 0.00 C ATOM 456 C ALA A 27 -1.215 -24.242 -9.109 1.00 0.00 C ATOM 457 O ALA A 27 -0.085 -24.463 -8.719 1.00 0.00 O ATOM 458 CB ALA A 27 -1.760 -26.680 -9.072 1.00 0.00 C ATOM 0 H ALA A 27 -2.554 -25.482 -11.821 1.00 0.00 H new ATOM 0 HA ALA A 27 -3.120 -25.103 -9.625 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -1.993 -26.611 -8.009 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -2.366 -27.464 -9.527 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -0.704 -26.919 -9.197 1.00 0.00 H new ATOM 464 N MET A 28 -1.750 -23.057 -8.995 1.00 0.00 N ATOM 465 CA MET A 28 -0.974 -21.944 -8.378 1.00 0.00 C ATOM 466 C MET A 28 0.266 -21.654 -9.226 1.00 0.00 C ATOM 467 O MET A 28 1.311 -22.244 -9.036 1.00 0.00 O ATOM 468 CB MET A 28 -0.542 -22.345 -6.966 1.00 0.00 C ATOM 469 CG MET A 28 -1.743 -22.908 -6.203 1.00 0.00 C ATOM 470 SD MET A 28 -2.983 -21.607 -5.987 1.00 0.00 S ATOM 471 CE MET A 28 -2.830 -21.443 -4.191 1.00 0.00 C ATOM 0 H MET A 28 -2.691 -22.811 -9.303 1.00 0.00 H new ATOM 0 HA MET A 28 -1.597 -21.051 -8.329 1.00 0.00 H new ATOM 0 HB2 MET A 28 0.252 -23.090 -7.015 1.00 0.00 H new ATOM 0 HB3 MET A 28 -0.136 -21.481 -6.440 1.00 0.00 H new ATOM 0 HG2 MET A 28 -2.173 -23.748 -6.748 1.00 0.00 H new ATOM 0 HG3 MET A 28 -1.425 -23.287 -5.232 1.00 0.00 H new ATOM 0 HE1 MET A 28 -3.520 -20.677 -3.835 1.00 0.00 H new ATOM 0 HE2 MET A 28 -3.069 -22.395 -3.717 1.00 0.00 H new ATOM 0 HE3 MET A 28 -1.809 -21.158 -3.937 1.00 0.00 H new ATOM 481 N ASP A 29 0.161 -20.747 -10.158 1.00 0.00 N ATOM 482 CA ASP A 29 1.335 -20.420 -11.016 1.00 0.00 C ATOM 483 C ASP A 29 1.189 -19.000 -11.566 1.00 0.00 C ATOM 484 O ASP A 29 1.811 -18.636 -12.543 1.00 0.00 O ATOM 485 CB ASP A 29 1.409 -21.412 -12.179 1.00 0.00 C ATOM 486 CG ASP A 29 2.536 -22.416 -11.924 1.00 0.00 C ATOM 487 OD1 ASP A 29 3.064 -22.417 -10.824 1.00 0.00 O ATOM 488 OD2 ASP A 29 2.849 -23.166 -12.833 1.00 0.00 O ATOM 0 H ASP A 29 -0.687 -20.218 -10.363 1.00 0.00 H new ATOM 0 HA ASP A 29 2.247 -20.486 -10.422 1.00 0.00 H new ATOM 0 HB2 ASP A 29 0.459 -21.935 -12.285 1.00 0.00 H new ATOM 0 HB3 ASP A 29 1.586 -20.880 -13.114 1.00 0.00 H new ATOM 493 N LEU A 30 0.369 -18.194 -10.947 1.00 0.00 N ATOM 494 CA LEU A 30 0.186 -16.800 -11.438 1.00 0.00 C ATOM 495 C LEU A 30 1.456 -15.992 -11.167 1.00 0.00 C ATOM 496 O LEU A 30 1.593 -15.359 -10.138 1.00 0.00 O ATOM 497 CB LEU A 30 -0.995 -16.152 -10.713 1.00 0.00 C ATOM 498 CG LEU A 30 -1.256 -14.765 -11.303 1.00 0.00 C ATOM 499 CD1 LEU A 30 -1.495 -14.887 -12.808 1.00 0.00 C ATOM 500 CD2 LEU A 30 -2.492 -14.153 -10.639 1.00 0.00 C ATOM 0 H LEU A 30 -0.181 -18.441 -10.124 1.00 0.00 H new ATOM 0 HA LEU A 30 -0.012 -16.817 -12.510 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -1.884 -16.775 -10.814 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -0.781 -16.071 -9.647 1.00 0.00 H new ATOM 0 HG LEU A 30 -0.392 -14.126 -11.123 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -1.681 -13.899 -13.228 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.616 -15.323 -13.282 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -2.359 -15.526 -12.989 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.679 -13.165 -11.059 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -3.356 -14.793 -10.819 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.323 -14.065 -9.566 1.00 0.00 H new ATOM 512 N SER A 31 2.388 -16.008 -12.081 1.00 0.00 N ATOM 513 CA SER A 31 3.648 -15.241 -11.875 1.00 0.00 C ATOM 514 C SER A 31 3.412 -13.771 -12.233 1.00 0.00 C ATOM 515 O SER A 31 2.341 -13.406 -12.675 1.00 0.00 O ATOM 516 CB SER A 31 4.745 -15.816 -12.770 1.00 0.00 C ATOM 517 OG SER A 31 4.308 -17.054 -13.314 1.00 0.00 O ATOM 0 H SER A 31 2.331 -16.520 -12.962 1.00 0.00 H new ATOM 0 HA SER A 31 3.955 -15.316 -10.832 1.00 0.00 H new ATOM 0 HB2 SER A 31 4.980 -15.116 -13.572 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.660 -15.961 -12.196 1.00 0.00 H new ATOM 0 HG SER A 31 5.009 -17.424 -13.890 1.00 0.00 H new ATOM 523 N PRO A 32 4.427 -12.968 -12.029 1.00 0.00 N ATOM 524 CA PRO A 32 4.367 -11.526 -12.319 1.00 0.00 C ATOM 525 C PRO A 32 4.524 -11.274 -13.821 1.00 0.00 C ATOM 526 O PRO A 32 4.846 -12.167 -14.580 1.00 0.00 O ATOM 527 CB PRO A 32 5.557 -10.955 -11.541 1.00 0.00 C ATOM 528 CG PRO A 32 6.542 -12.130 -11.326 1.00 0.00 C ATOM 529 CD PRO A 32 5.724 -13.425 -11.490 1.00 0.00 C ATOM 0 HA PRO A 32 3.419 -11.070 -12.034 1.00 0.00 H new ATOM 0 HB2 PRO A 32 6.032 -10.146 -12.096 1.00 0.00 H new ATOM 0 HB3 PRO A 32 5.234 -10.539 -10.587 1.00 0.00 H new ATOM 0 HG2 PRO A 32 7.356 -12.091 -12.050 1.00 0.00 H new ATOM 0 HG3 PRO A 32 6.994 -12.080 -10.336 1.00 0.00 H new ATOM 0 HD2 PRO A 32 6.214 -14.122 -12.169 1.00 0.00 H new ATOM 0 HD3 PRO A 32 5.600 -13.941 -10.538 1.00 0.00 H new ATOM 537 N GLY A 33 4.297 -10.064 -14.256 1.00 0.00 N ATOM 538 CA GLY A 33 4.431 -9.755 -15.708 1.00 0.00 C ATOM 539 C GLY A 33 3.528 -10.689 -16.517 1.00 0.00 C ATOM 540 O GLY A 33 3.921 -11.774 -16.893 1.00 0.00 O ATOM 0 H GLY A 33 4.025 -9.276 -13.668 1.00 0.00 H new ATOM 0 HA2 GLY A 33 4.158 -8.716 -15.896 1.00 0.00 H new ATOM 0 HA3 GLY A 33 5.468 -9.874 -16.021 1.00 0.00 H new ATOM 544 N SER A 34 2.319 -10.276 -16.785 1.00 0.00 N ATOM 545 CA SER A 34 1.394 -11.143 -17.569 1.00 0.00 C ATOM 546 C SER A 34 0.222 -10.305 -18.085 1.00 0.00 C ATOM 547 O SER A 34 0.037 -9.171 -17.692 1.00 0.00 O ATOM 548 CB SER A 34 0.863 -12.261 -16.671 1.00 0.00 C ATOM 549 OG SER A 34 0.885 -13.489 -17.387 1.00 0.00 O ATOM 0 H SER A 34 1.932 -9.378 -16.496 1.00 0.00 H new ATOM 0 HA SER A 34 1.930 -11.576 -18.413 1.00 0.00 H new ATOM 0 HB2 SER A 34 1.473 -12.341 -15.771 1.00 0.00 H new ATOM 0 HB3 SER A 34 -0.153 -12.033 -16.349 1.00 0.00 H new ATOM 0 HG SER A 34 0.547 -14.208 -16.814 1.00 0.00 H new ATOM 555 N VAL A 35 -0.572 -10.857 -18.961 1.00 0.00 N ATOM 556 CA VAL A 35 -1.735 -10.098 -19.501 1.00 0.00 C ATOM 557 C VAL A 35 -3.025 -10.837 -19.144 1.00 0.00 C ATOM 558 O VAL A 35 -3.071 -12.051 -19.132 1.00 0.00 O ATOM 559 CB VAL A 35 -1.613 -9.990 -21.023 1.00 0.00 C ATOM 560 CG1 VAL A 35 -0.265 -9.363 -21.386 1.00 0.00 C ATOM 561 CG2 VAL A 35 -1.706 -11.388 -21.640 1.00 0.00 C ATOM 0 H VAL A 35 -0.465 -11.803 -19.327 1.00 0.00 H new ATOM 0 HA VAL A 35 -1.753 -9.098 -19.069 1.00 0.00 H new ATOM 0 HB VAL A 35 -2.419 -9.365 -21.408 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -0.179 -9.287 -22.470 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -0.196 -8.368 -20.946 1.00 0.00 H new ATOM 0 HG13 VAL A 35 0.542 -9.987 -21.001 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.619 -11.314 -22.724 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -0.899 -12.011 -21.253 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.666 -11.836 -21.383 1.00 0.00 H new ATOM 571 N HIS A 36 -4.076 -10.121 -18.847 1.00 0.00 N ATOM 572 CA HIS A 36 -5.353 -10.800 -18.487 1.00 0.00 C ATOM 573 C HIS A 36 -6.508 -9.800 -18.538 1.00 0.00 C ATOM 574 O HIS A 36 -6.307 -8.603 -18.596 1.00 0.00 O ATOM 575 CB HIS A 36 -5.240 -11.366 -17.070 1.00 0.00 C ATOM 576 CG HIS A 36 -4.764 -10.286 -16.138 1.00 0.00 C ATOM 577 ND1 HIS A 36 -5.429 -9.975 -14.963 1.00 0.00 N ATOM 578 CD2 HIS A 36 -3.689 -9.434 -16.197 1.00 0.00 C ATOM 579 CE1 HIS A 36 -4.755 -8.974 -14.368 1.00 0.00 C ATOM 580 NE2 HIS A 36 -3.686 -8.606 -15.078 1.00 0.00 N ATOM 0 H HIS A 36 -4.106 -9.101 -18.838 1.00 0.00 H new ATOM 0 HA HIS A 36 -5.544 -11.606 -19.196 1.00 0.00 H new ATOM 0 HB2 HIS A 36 -6.207 -11.746 -16.740 1.00 0.00 H new ATOM 0 HB3 HIS A 36 -4.545 -12.206 -17.056 1.00 0.00 H new ATOM 0 HD1 HIS A 36 -6.276 -10.423 -14.613 1.00 0.00 H new ATOM 0 HD2 HIS A 36 -2.957 -9.410 -16.991 1.00 0.00 H new ATOM 0 HE1 HIS A 36 -5.044 -8.523 -13.430 1.00 0.00 H new ATOM 588 N GLU A 37 -7.720 -10.284 -18.509 1.00 0.00 N ATOM 589 CA GLU A 37 -8.893 -9.367 -18.546 1.00 0.00 C ATOM 590 C GLU A 37 -9.412 -9.169 -17.122 1.00 0.00 C ATOM 591 O GLU A 37 -9.364 -10.067 -16.305 1.00 0.00 O ATOM 592 CB GLU A 37 -9.997 -9.980 -19.412 1.00 0.00 C ATOM 593 CG GLU A 37 -10.541 -8.919 -20.370 1.00 0.00 C ATOM 594 CD GLU A 37 -11.669 -9.520 -21.212 1.00 0.00 C ATOM 595 OE1 GLU A 37 -12.063 -10.639 -20.926 1.00 0.00 O ATOM 596 OE2 GLU A 37 -12.118 -8.852 -22.129 1.00 0.00 O ATOM 0 H GLU A 37 -7.948 -11.277 -18.461 1.00 0.00 H new ATOM 0 HA GLU A 37 -8.597 -8.407 -18.969 1.00 0.00 H new ATOM 0 HB2 GLU A 37 -9.604 -10.827 -19.975 1.00 0.00 H new ATOM 0 HB3 GLU A 37 -10.800 -10.361 -18.781 1.00 0.00 H new ATOM 0 HG2 GLU A 37 -10.910 -8.061 -19.808 1.00 0.00 H new ATOM 0 HG3 GLU A 37 -9.743 -8.556 -21.018 1.00 0.00 H new ATOM 603 N GLY A 38 -9.897 -7.998 -16.810 1.00 0.00 N ATOM 604 CA GLY A 38 -10.404 -7.754 -15.430 1.00 0.00 C ATOM 605 C GLY A 38 -11.499 -6.688 -15.455 1.00 0.00 C ATOM 606 O GLY A 38 -11.801 -6.113 -16.482 1.00 0.00 O ATOM 0 H GLY A 38 -9.964 -7.204 -17.447 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.796 -8.680 -15.009 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -9.586 -7.432 -14.785 1.00 0.00 H new ATOM 610 N ILE A 39 -12.094 -6.423 -14.325 1.00 0.00 N ATOM 611 CA ILE A 39 -13.170 -5.394 -14.266 1.00 0.00 C ATOM 612 C ILE A 39 -12.557 -4.076 -13.791 1.00 0.00 C ATOM 613 O ILE A 39 -11.581 -4.064 -13.068 1.00 0.00 O ATOM 614 CB ILE A 39 -14.247 -5.855 -13.281 1.00 0.00 C ATOM 615 CG1 ILE A 39 -14.882 -7.149 -13.796 1.00 0.00 C ATOM 616 CG2 ILE A 39 -15.327 -4.780 -13.145 1.00 0.00 C ATOM 617 CD1 ILE A 39 -15.366 -7.988 -12.612 1.00 0.00 C ATOM 0 H ILE A 39 -11.881 -6.877 -13.437 1.00 0.00 H new ATOM 0 HA ILE A 39 -13.621 -5.254 -15.249 1.00 0.00 H new ATOM 0 HB ILE A 39 -13.791 -6.028 -12.306 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -15.717 -6.918 -14.457 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -14.157 -7.713 -14.383 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -16.089 -5.117 -12.442 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -14.878 -3.857 -12.778 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -15.785 -4.599 -14.118 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -15.818 -8.909 -12.980 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -14.521 -8.230 -11.968 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -16.105 -7.423 -12.044 1.00 0.00 H new ATOM 629 N VAL A 40 -13.105 -2.965 -14.202 1.00 0.00 N ATOM 630 CA VAL A 40 -12.524 -1.661 -13.779 1.00 0.00 C ATOM 631 C VAL A 40 -13.307 -1.097 -12.594 1.00 0.00 C ATOM 632 O VAL A 40 -14.512 -1.222 -12.512 1.00 0.00 O ATOM 633 CB VAL A 40 -12.589 -0.676 -14.948 1.00 0.00 C ATOM 634 CG1 VAL A 40 -11.729 0.548 -14.636 1.00 0.00 C ATOM 635 CG2 VAL A 40 -12.065 -1.356 -16.216 1.00 0.00 C ATOM 0 H VAL A 40 -13.923 -2.904 -14.808 1.00 0.00 H new ATOM 0 HA VAL A 40 -11.487 -1.811 -13.480 1.00 0.00 H new ATOM 0 HB VAL A 40 -13.622 -0.363 -15.101 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -11.777 1.248 -15.470 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -12.100 1.033 -13.733 1.00 0.00 H new ATOM 0 HG13 VAL A 40 -10.696 0.237 -14.482 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -12.111 -0.656 -17.050 1.00 0.00 H new ATOM 0 HG22 VAL A 40 -11.032 -1.669 -16.061 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -12.678 -2.228 -16.441 1.00 0.00 H new ATOM 645 N TYR A 41 -12.624 -0.473 -11.673 1.00 0.00 N ATOM 646 CA TYR A 41 -13.316 0.105 -10.488 1.00 0.00 C ATOM 647 C TYR A 41 -12.668 1.445 -10.134 1.00 0.00 C ATOM 648 O TYR A 41 -11.509 1.678 -10.414 1.00 0.00 O ATOM 649 CB TYR A 41 -13.189 -0.856 -9.304 1.00 0.00 C ATOM 650 CG TYR A 41 -14.096 -0.400 -8.188 1.00 0.00 C ATOM 651 CD1 TYR A 41 -15.485 -0.381 -8.378 1.00 0.00 C ATOM 652 CD2 TYR A 41 -13.552 0.002 -6.961 1.00 0.00 C ATOM 653 CE1 TYR A 41 -16.328 0.040 -7.341 1.00 0.00 C ATOM 654 CE2 TYR A 41 -14.395 0.424 -5.925 1.00 0.00 C ATOM 655 CZ TYR A 41 -15.782 0.443 -6.114 1.00 0.00 C ATOM 656 OH TYR A 41 -16.613 0.858 -5.093 1.00 0.00 O ATOM 0 H TYR A 41 -11.613 -0.339 -11.691 1.00 0.00 H new ATOM 0 HA TYR A 41 -14.371 0.257 -10.715 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -13.454 -1.867 -9.612 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -12.156 -0.889 -8.957 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -15.905 -0.691 -9.323 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -12.482 -0.014 -6.814 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -17.398 0.054 -7.487 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -13.975 0.735 -4.980 1.00 0.00 H new ATOM 0 HH TYR A 41 -16.074 1.102 -4.311 1.00 0.00 H new ATOM 666 N PHE A 42 -13.406 2.330 -9.522 1.00 0.00 N ATOM 667 CA PHE A 42 -12.829 3.654 -9.156 1.00 0.00 C ATOM 668 C PHE A 42 -12.414 3.645 -7.682 1.00 0.00 C ATOM 669 O PHE A 42 -13.219 3.408 -6.804 1.00 0.00 O ATOM 670 CB PHE A 42 -13.878 4.745 -9.385 1.00 0.00 C ATOM 671 CG PHE A 42 -13.309 6.084 -8.981 1.00 0.00 C ATOM 672 CD1 PHE A 42 -13.235 6.433 -7.626 1.00 0.00 C ATOM 673 CD2 PHE A 42 -12.856 6.977 -9.961 1.00 0.00 C ATOM 674 CE1 PHE A 42 -12.708 7.675 -7.250 1.00 0.00 C ATOM 675 CE2 PHE A 42 -12.328 8.219 -9.585 1.00 0.00 C ATOM 676 CZ PHE A 42 -12.254 8.569 -8.230 1.00 0.00 C ATOM 0 H PHE A 42 -14.382 2.194 -9.260 1.00 0.00 H new ATOM 0 HA PHE A 42 -11.954 3.852 -9.775 1.00 0.00 H new ATOM 0 HB2 PHE A 42 -14.174 4.765 -10.434 1.00 0.00 H new ATOM 0 HB3 PHE A 42 -14.775 4.529 -8.805 1.00 0.00 H new ATOM 0 HD1 PHE A 42 -13.584 5.744 -6.871 1.00 0.00 H new ATOM 0 HD2 PHE A 42 -12.914 6.708 -11.005 1.00 0.00 H new ATOM 0 HE1 PHE A 42 -12.651 7.944 -6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 42 -11.978 8.907 -10.340 1.00 0.00 H new ATOM 0 HZ PHE A 42 -11.847 9.527 -7.941 1.00 0.00 H new ATOM 686 N LYS A 43 -11.164 3.902 -7.406 1.00 0.00 N ATOM 687 CA LYS A 43 -10.700 3.908 -5.989 1.00 0.00 C ATOM 688 C LYS A 43 -10.299 5.331 -5.591 1.00 0.00 C ATOM 689 O LYS A 43 -10.088 6.184 -6.431 1.00 0.00 O ATOM 690 CB LYS A 43 -9.495 2.977 -5.840 1.00 0.00 C ATOM 691 CG LYS A 43 -9.681 2.095 -4.603 1.00 0.00 C ATOM 692 CD LYS A 43 -8.712 2.542 -3.507 1.00 0.00 C ATOM 693 CE LYS A 43 -7.864 1.351 -3.055 1.00 0.00 C ATOM 694 NZ LYS A 43 -7.099 1.721 -1.831 1.00 0.00 N ATOM 0 H LYS A 43 -10.445 4.108 -8.100 1.00 0.00 H new ATOM 0 HA LYS A 43 -11.506 3.562 -5.342 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -9.389 2.356 -6.730 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -8.580 3.562 -5.749 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -10.708 2.164 -4.245 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -9.502 1.050 -4.858 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -8.069 3.339 -3.879 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -9.266 2.949 -2.661 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -8.504 0.492 -2.851 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -7.179 1.057 -3.850 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -6.523 0.912 -1.524 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -6.478 2.528 -2.041 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -7.762 1.982 -1.073 1.00 0.00 H new ATOM 708 N ASP A 44 -10.194 5.594 -4.317 1.00 0.00 N ATOM 709 CA ASP A 44 -9.810 6.961 -3.867 1.00 0.00 C ATOM 710 C ASP A 44 -8.341 7.222 -4.211 1.00 0.00 C ATOM 711 O ASP A 44 -7.850 8.327 -4.080 1.00 0.00 O ATOM 712 CB ASP A 44 -10.010 7.074 -2.353 1.00 0.00 C ATOM 713 CG ASP A 44 -10.036 8.548 -1.950 1.00 0.00 C ATOM 714 OD1 ASP A 44 -9.186 9.287 -2.422 1.00 0.00 O ATOM 715 OD2 ASP A 44 -10.904 8.916 -1.175 1.00 0.00 O ATOM 0 H ASP A 44 -10.358 4.921 -3.568 1.00 0.00 H new ATOM 0 HA ASP A 44 -10.435 7.698 -4.372 1.00 0.00 H new ATOM 0 HB2 ASP A 44 -10.942 6.590 -2.062 1.00 0.00 H new ATOM 0 HB3 ASP A 44 -9.205 6.557 -1.830 1.00 0.00 H new ATOM 720 N GLY A 45 -7.637 6.217 -4.654 1.00 0.00 N ATOM 721 CA GLY A 45 -6.201 6.411 -5.009 1.00 0.00 C ATOM 722 C GLY A 45 -6.075 6.619 -6.519 1.00 0.00 C ATOM 723 O GLY A 45 -5.651 7.661 -6.980 1.00 0.00 O ATOM 0 H GLY A 45 -7.993 5.270 -4.786 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -5.797 7.272 -4.477 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -5.618 5.543 -4.700 1.00 0.00 H new ATOM 727 N ILE A 46 -6.442 5.635 -7.294 1.00 0.00 N ATOM 728 CA ILE A 46 -6.348 5.775 -8.774 1.00 0.00 C ATOM 729 C ILE A 46 -7.349 4.822 -9.430 1.00 0.00 C ATOM 730 O ILE A 46 -8.507 5.150 -9.604 1.00 0.00 O ATOM 731 CB ILE A 46 -4.926 5.433 -9.230 1.00 0.00 C ATOM 732 CG1 ILE A 46 -3.998 6.608 -8.909 1.00 0.00 C ATOM 733 CG2 ILE A 46 -4.912 5.177 -10.739 1.00 0.00 C ATOM 734 CD1 ILE A 46 -3.337 6.383 -7.547 1.00 0.00 C ATOM 0 H ILE A 46 -6.803 4.740 -6.965 1.00 0.00 H new ATOM 0 HA ILE A 46 -6.578 6.800 -9.065 1.00 0.00 H new ATOM 0 HB ILE A 46 -4.586 4.538 -8.710 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -3.236 6.705 -9.683 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.564 7.540 -8.900 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -3.898 4.934 -11.057 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -5.575 4.344 -10.973 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -5.253 6.070 -11.263 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -2.677 7.220 -7.320 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.105 6.308 -6.778 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -2.757 5.460 -7.572 1.00 0.00 H new ATOM 746 N PHE A 47 -6.922 3.643 -9.792 1.00 0.00 N ATOM 747 CA PHE A 47 -7.864 2.681 -10.427 1.00 0.00 C ATOM 748 C PHE A 47 -7.811 1.351 -9.677 1.00 0.00 C ATOM 749 O PHE A 47 -6.884 1.080 -8.941 1.00 0.00 O ATOM 750 CB PHE A 47 -7.468 2.464 -11.889 1.00 0.00 C ATOM 751 CG PHE A 47 -8.453 3.175 -12.785 1.00 0.00 C ATOM 752 CD1 PHE A 47 -9.753 2.676 -12.930 1.00 0.00 C ATOM 753 CD2 PHE A 47 -8.067 4.334 -13.472 1.00 0.00 C ATOM 754 CE1 PHE A 47 -10.669 3.335 -13.760 1.00 0.00 C ATOM 755 CE2 PHE A 47 -8.983 4.994 -14.303 1.00 0.00 C ATOM 756 CZ PHE A 47 -10.284 4.494 -14.446 1.00 0.00 C ATOM 0 H PHE A 47 -5.966 3.306 -9.676 1.00 0.00 H new ATOM 0 HA PHE A 47 -8.877 3.081 -10.385 1.00 0.00 H new ATOM 0 HB2 PHE A 47 -6.461 2.842 -12.065 1.00 0.00 H new ATOM 0 HB3 PHE A 47 -7.453 1.399 -12.119 1.00 0.00 H new ATOM 0 HD1 PHE A 47 -10.050 1.782 -12.401 1.00 0.00 H new ATOM 0 HD2 PHE A 47 -7.064 4.719 -13.361 1.00 0.00 H new ATOM 0 HE1 PHE A 47 -11.672 2.950 -13.871 1.00 0.00 H new ATOM 0 HE2 PHE A 47 -8.686 5.887 -14.833 1.00 0.00 H new ATOM 0 HZ PHE A 47 -10.990 5.002 -15.085 1.00 0.00 H new ATOM 766 N LYS A 48 -8.802 0.520 -9.851 1.00 0.00 N ATOM 767 CA LYS A 48 -8.807 -0.789 -9.142 1.00 0.00 C ATOM 768 C LYS A 48 -9.290 -1.886 -10.094 1.00 0.00 C ATOM 769 O LYS A 48 -10.354 -1.795 -10.674 1.00 0.00 O ATOM 770 CB LYS A 48 -9.745 -0.713 -7.935 1.00 0.00 C ATOM 771 CG LYS A 48 -8.995 -1.159 -6.680 1.00 0.00 C ATOM 772 CD LYS A 48 -9.998 -1.621 -5.622 1.00 0.00 C ATOM 773 CE LYS A 48 -9.927 -3.143 -5.483 1.00 0.00 C ATOM 774 NZ LYS A 48 -10.673 -3.780 -6.603 1.00 0.00 N ATOM 0 H LYS A 48 -9.607 0.691 -10.453 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.797 -1.021 -8.804 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -10.112 0.306 -7.810 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.616 -1.348 -8.097 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.308 -1.969 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.394 -0.337 -6.292 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.778 -1.147 -4.665 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -11.006 -1.317 -5.904 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.888 -3.471 -5.491 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -10.351 -3.452 -4.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.230 -4.580 -6.239 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -11.311 -3.082 -7.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.000 -4.124 -7.317 1.00 0.00 H new ATOM 788 N VAL A 49 -8.517 -2.926 -10.256 1.00 0.00 N ATOM 789 CA VAL A 49 -8.933 -4.029 -11.166 1.00 0.00 C ATOM 790 C VAL A 49 -9.466 -5.197 -10.335 1.00 0.00 C ATOM 791 O VAL A 49 -8.761 -5.770 -9.529 1.00 0.00 O ATOM 792 CB VAL A 49 -7.729 -4.496 -11.987 1.00 0.00 C ATOM 793 CG1 VAL A 49 -8.128 -5.708 -12.831 1.00 0.00 C ATOM 794 CG2 VAL A 49 -7.270 -3.364 -12.908 1.00 0.00 C ATOM 0 H VAL A 49 -7.616 -3.058 -9.797 1.00 0.00 H new ATOM 0 HA VAL A 49 -9.713 -3.672 -11.838 1.00 0.00 H new ATOM 0 HB VAL A 49 -6.916 -4.771 -11.315 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -7.271 -6.042 -13.416 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -8.457 -6.515 -12.176 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -8.941 -5.432 -13.503 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -6.412 -3.696 -13.493 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -8.083 -3.089 -13.580 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -6.987 -2.499 -12.308 1.00 0.00 H new ATOM 804 N ARG A 50 -10.707 -5.555 -10.522 1.00 0.00 N ATOM 805 CA ARG A 50 -11.282 -6.685 -9.738 1.00 0.00 C ATOM 806 C ARG A 50 -11.256 -7.960 -10.584 1.00 0.00 C ATOM 807 O ARG A 50 -11.729 -7.981 -11.703 1.00 0.00 O ATOM 808 CB ARG A 50 -12.728 -6.356 -9.359 1.00 0.00 C ATOM 809 CG ARG A 50 -13.195 -7.305 -8.254 1.00 0.00 C ATOM 810 CD ARG A 50 -14.659 -7.684 -8.492 1.00 0.00 C ATOM 811 NE ARG A 50 -15.283 -8.091 -7.200 1.00 0.00 N ATOM 812 CZ ARG A 50 -14.787 -9.090 -6.524 1.00 0.00 C ATOM 813 NH1 ARG A 50 -14.074 -9.999 -7.131 1.00 0.00 N ATOM 814 NH2 ARG A 50 -15.004 -9.181 -5.240 1.00 0.00 N ATOM 0 H ARG A 50 -11.347 -5.115 -11.183 1.00 0.00 H new ATOM 0 HA ARG A 50 -10.692 -6.837 -8.834 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -12.800 -5.323 -9.020 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -13.374 -6.451 -10.232 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -12.574 -8.200 -8.242 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -13.085 -6.828 -7.280 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -15.200 -6.839 -8.919 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -14.722 -8.500 -9.212 1.00 0.00 H new ATOM 0 HE ARG A 50 -16.097 -7.589 -6.845 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -13.905 -9.928 -8.134 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -13.686 -10.780 -6.602 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -15.561 -8.471 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -14.616 -9.962 -4.711 1.00 0.00 H new ATOM 828 N LEU A 51 -10.710 -9.026 -10.061 1.00 0.00 N ATOM 829 CA LEU A 51 -10.663 -10.292 -10.844 1.00 0.00 C ATOM 830 C LEU A 51 -11.877 -11.153 -10.492 1.00 0.00 C ATOM 831 O LEU A 51 -11.757 -12.189 -9.869 1.00 0.00 O ATOM 832 CB LEU A 51 -9.379 -11.054 -10.510 1.00 0.00 C ATOM 833 CG LEU A 51 -8.380 -10.896 -11.656 1.00 0.00 C ATOM 834 CD1 LEU A 51 -8.992 -11.445 -12.946 1.00 0.00 C ATOM 835 CD2 LEU A 51 -8.049 -9.414 -11.842 1.00 0.00 C ATOM 0 H LEU A 51 -10.297 -9.073 -9.130 1.00 0.00 H new ATOM 0 HA LEU A 51 -10.678 -10.061 -11.909 1.00 0.00 H new ATOM 0 HB2 LEU A 51 -8.949 -10.674 -9.583 1.00 0.00 H new ATOM 0 HB3 LEU A 51 -9.601 -12.109 -10.350 1.00 0.00 H new ATOM 0 HG LEU A 51 -7.469 -11.447 -11.422 1.00 0.00 H new ATOM 0 HD11 LEU A 51 -8.280 -11.332 -13.763 1.00 0.00 H new ATOM 0 HD12 LEU A 51 -9.230 -12.501 -12.815 1.00 0.00 H new ATOM 0 HD13 LEU A 51 -9.903 -10.894 -13.180 1.00 0.00 H new ATOM 0 HD21 LEU A 51 -7.337 -9.300 -12.659 1.00 0.00 H new ATOM 0 HD22 LEU A 51 -8.961 -8.864 -12.076 1.00 0.00 H new ATOM 0 HD23 LEU A 51 -7.614 -9.020 -10.924 1.00 0.00 H new ATOM 847 N LEU A 52 -13.049 -10.731 -10.886 1.00 0.00 N ATOM 848 CA LEU A 52 -14.272 -11.522 -10.575 1.00 0.00 C ATOM 849 C LEU A 52 -14.208 -12.865 -11.304 1.00 0.00 C ATOM 850 O LEU A 52 -13.979 -12.926 -12.496 1.00 0.00 O ATOM 851 CB LEU A 52 -15.508 -10.747 -11.033 1.00 0.00 C ATOM 852 CG LEU A 52 -16.769 -11.446 -10.525 1.00 0.00 C ATOM 853 CD1 LEU A 52 -17.387 -10.623 -9.392 1.00 0.00 C ATOM 854 CD2 LEU A 52 -17.777 -11.573 -11.669 1.00 0.00 C ATOM 0 H LEU A 52 -13.211 -9.871 -11.410 1.00 0.00 H new ATOM 0 HA LEU A 52 -14.332 -11.696 -9.501 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -15.469 -9.725 -10.656 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -15.528 -10.684 -12.121 1.00 0.00 H new ATOM 0 HG LEU A 52 -16.510 -12.438 -10.155 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -18.286 -11.121 -9.029 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -16.670 -10.530 -8.577 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -17.646 -9.631 -9.762 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -18.677 -12.071 -11.308 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -18.035 -10.580 -12.038 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -17.338 -12.158 -12.477 1.00 0.00 H new ATOM 866 N GLY A 53 -14.408 -13.945 -10.598 1.00 0.00 N ATOM 867 CA GLY A 53 -14.357 -15.285 -11.249 1.00 0.00 C ATOM 868 C GLY A 53 -13.065 -15.995 -10.845 1.00 0.00 C ATOM 869 O GLY A 53 -13.009 -17.206 -10.760 1.00 0.00 O ATOM 0 H GLY A 53 -14.605 -13.957 -9.597 1.00 0.00 H new ATOM 0 HA2 GLY A 53 -15.221 -15.880 -10.951 1.00 0.00 H new ATOM 0 HA3 GLY A 53 -14.403 -15.177 -12.333 1.00 0.00 H new ATOM 873 N TYR A 54 -12.025 -15.248 -10.591 1.00 0.00 N ATOM 874 CA TYR A 54 -10.736 -15.874 -10.186 1.00 0.00 C ATOM 875 C TYR A 54 -10.588 -15.787 -8.668 1.00 0.00 C ATOM 876 O TYR A 54 -9.582 -15.337 -8.157 1.00 0.00 O ATOM 877 CB TYR A 54 -9.577 -15.134 -10.855 1.00 0.00 C ATOM 878 CG TYR A 54 -8.544 -16.130 -11.318 1.00 0.00 C ATOM 879 CD1 TYR A 54 -8.637 -16.693 -12.598 1.00 0.00 C ATOM 880 CD2 TYR A 54 -7.489 -16.494 -10.468 1.00 0.00 C ATOM 881 CE1 TYR A 54 -7.678 -17.618 -13.028 1.00 0.00 C ATOM 882 CE2 TYR A 54 -6.531 -17.420 -10.899 1.00 0.00 C ATOM 883 CZ TYR A 54 -6.624 -17.982 -12.180 1.00 0.00 C ATOM 884 OH TYR A 54 -5.680 -18.894 -12.604 1.00 0.00 O ATOM 0 H TYR A 54 -12.013 -14.230 -10.647 1.00 0.00 H new ATOM 0 HA TYR A 54 -10.724 -16.919 -10.495 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -9.943 -14.553 -11.702 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -9.129 -14.429 -10.155 1.00 0.00 H new ATOM 0 HD1 TYR A 54 -9.449 -16.413 -13.253 1.00 0.00 H new ATOM 0 HD2 TYR A 54 -7.416 -16.060 -9.482 1.00 0.00 H new ATOM 0 HE1 TYR A 54 -7.751 -18.051 -14.015 1.00 0.00 H new ATOM 0 HE2 TYR A 54 -5.720 -17.701 -10.244 1.00 0.00 H new ATOM 0 HH TYR A 54 -5.018 -19.034 -11.895 1.00 0.00 H new ATOM 894 N GLU A 55 -11.586 -16.210 -7.941 1.00 0.00 N ATOM 895 CA GLU A 55 -11.506 -16.146 -6.456 1.00 0.00 C ATOM 896 C GLU A 55 -11.637 -14.695 -6.002 1.00 0.00 C ATOM 897 O GLU A 55 -12.134 -13.852 -6.723 1.00 0.00 O ATOM 898 CB GLU A 55 -10.162 -16.712 -5.992 1.00 0.00 C ATOM 899 CG GLU A 55 -10.402 -17.946 -5.119 1.00 0.00 C ATOM 900 CD GLU A 55 -10.338 -17.550 -3.643 1.00 0.00 C ATOM 901 OE1 GLU A 55 -9.250 -17.563 -3.092 1.00 0.00 O ATOM 902 OE2 GLU A 55 -11.380 -17.242 -3.088 1.00 0.00 O ATOM 0 H GLU A 55 -12.453 -16.597 -8.313 1.00 0.00 H new ATOM 0 HA GLU A 55 -12.314 -16.735 -6.022 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -9.550 -16.977 -6.854 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -9.612 -15.957 -5.430 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -11.375 -18.382 -5.347 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -9.653 -18.708 -5.334 1.00 0.00 H new ATOM 909 N GLY A 56 -11.193 -14.393 -4.814 1.00 0.00 N ATOM 910 CA GLY A 56 -11.289 -12.992 -4.319 1.00 0.00 C ATOM 911 C GLY A 56 -10.113 -12.178 -4.863 1.00 0.00 C ATOM 912 O GLY A 56 -9.858 -11.073 -4.430 1.00 0.00 O ATOM 0 H GLY A 56 -10.768 -15.055 -4.165 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -12.232 -12.546 -4.637 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -11.281 -12.979 -3.229 1.00 0.00 H new ATOM 916 N HIS A 57 -9.394 -12.719 -5.810 1.00 0.00 N ATOM 917 CA HIS A 57 -8.232 -11.979 -6.382 1.00 0.00 C ATOM 918 C HIS A 57 -8.610 -10.511 -6.602 1.00 0.00 C ATOM 919 O HIS A 57 -9.378 -10.180 -7.487 1.00 0.00 O ATOM 920 CB HIS A 57 -7.833 -12.611 -7.718 1.00 0.00 C ATOM 921 CG HIS A 57 -6.442 -13.171 -7.608 1.00 0.00 C ATOM 922 ND1 HIS A 57 -5.439 -12.961 -6.694 1.00 0.00 N flip ATOM 923 CD2 HIS A 57 -5.936 -14.079 -8.525 1.00 0.00 C flip ATOM 924 CE1 HIS A 57 -4.328 -13.726 -7.034 1.00 0.00 C flip ATOM 925 NE2 HIS A 57 -4.679 -14.381 -8.145 1.00 0.00 N flip ATOM 0 H HIS A 57 -9.561 -13.641 -6.212 1.00 0.00 H new ATOM 0 HA HIS A 57 -7.393 -12.033 -5.688 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -8.535 -13.401 -7.984 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.876 -11.866 -8.513 1.00 0.00 H new ATOM 0 HD1 HIS A 57 -5.499 -12.339 -5.888 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -6.455 -14.473 -9.387 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.384 -13.779 -6.512 1.00 0.00 H new ATOM 933 N GLU A 58 -8.071 -9.626 -5.805 1.00 0.00 N ATOM 934 CA GLU A 58 -8.394 -8.183 -5.968 1.00 0.00 C ATOM 935 C GLU A 58 -7.132 -7.423 -6.378 1.00 0.00 C ATOM 936 O GLU A 58 -6.210 -7.259 -5.602 1.00 0.00 O ATOM 937 CB GLU A 58 -8.922 -7.622 -4.646 1.00 0.00 C ATOM 938 CG GLU A 58 -9.989 -6.562 -4.933 1.00 0.00 C ATOM 939 CD GLU A 58 -10.620 -6.101 -3.618 1.00 0.00 C ATOM 940 OE1 GLU A 58 -10.045 -5.235 -2.980 1.00 0.00 O ATOM 941 OE2 GLU A 58 -11.668 -6.621 -3.272 1.00 0.00 O ATOM 0 H GLU A 58 -7.421 -9.843 -5.049 1.00 0.00 H new ATOM 0 HA GLU A 58 -9.156 -8.067 -6.739 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -9.344 -8.424 -4.041 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.105 -7.185 -4.071 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -9.543 -5.713 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.755 -6.971 -5.592 1.00 0.00 H new ATOM 948 N CYS A 59 -7.080 -6.962 -7.596 1.00 0.00 N ATOM 949 CA CYS A 59 -5.879 -6.218 -8.058 1.00 0.00 C ATOM 950 C CYS A 59 -6.171 -4.716 -8.055 1.00 0.00 C ATOM 951 O CYS A 59 -7.306 -4.291 -8.139 1.00 0.00 O ATOM 952 CB CYS A 59 -5.517 -6.661 -9.476 1.00 0.00 C ATOM 953 SG CYS A 59 -5.453 -8.469 -9.544 1.00 0.00 S ATOM 0 H CYS A 59 -7.819 -7.069 -8.291 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.046 -6.427 -7.386 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -6.254 -6.285 -10.185 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -4.554 -6.241 -9.765 1.00 0.00 H new ATOM 0 HG CYS A 59 -5.148 -8.847 -10.750 1.00 0.00 H new ATOM 959 N ILE A 60 -5.149 -3.913 -7.965 1.00 0.00 N ATOM 960 CA ILE A 60 -5.348 -2.437 -7.963 1.00 0.00 C ATOM 961 C ILE A 60 -4.491 -1.831 -9.072 1.00 0.00 C ATOM 962 O ILE A 60 -3.344 -2.189 -9.240 1.00 0.00 O ATOM 963 CB ILE A 60 -4.914 -1.864 -6.612 1.00 0.00 C ATOM 964 CG1 ILE A 60 -3.533 -2.413 -6.248 1.00 0.00 C ATOM 965 CG2 ILE A 60 -5.922 -2.270 -5.535 1.00 0.00 C ATOM 966 CD1 ILE A 60 -2.712 -1.319 -5.563 1.00 0.00 C ATOM 0 H ILE A 60 -4.178 -4.217 -7.892 1.00 0.00 H new ATOM 0 HA ILE A 60 -6.399 -2.201 -8.130 1.00 0.00 H new ATOM 0 HB ILE A 60 -4.871 -0.777 -6.676 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -3.635 -3.273 -5.587 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.020 -2.759 -7.145 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -5.612 -1.861 -4.573 1.00 0.00 H new ATOM 0 HG22 ILE A 60 -6.907 -1.881 -5.794 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -5.967 -3.357 -5.470 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -1.728 -1.711 -5.304 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.599 -0.472 -6.239 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -3.223 -0.994 -4.657 1.00 0.00 H new ATOM 978 N LEU A 61 -5.026 -0.921 -9.835 1.00 0.00 N ATOM 979 CA LEU A 61 -4.217 -0.318 -10.929 1.00 0.00 C ATOM 980 C LEU A 61 -3.636 1.015 -10.464 1.00 0.00 C ATOM 981 O LEU A 61 -4.337 1.875 -9.962 1.00 0.00 O ATOM 982 CB LEU A 61 -5.094 -0.085 -12.159 1.00 0.00 C ATOM 983 CG LEU A 61 -4.201 0.201 -13.367 1.00 0.00 C ATOM 984 CD1 LEU A 61 -4.569 -0.742 -14.514 1.00 0.00 C ATOM 985 CD2 LEU A 61 -4.401 1.651 -13.815 1.00 0.00 C ATOM 0 H LEU A 61 -5.980 -0.571 -9.750 1.00 0.00 H new ATOM 0 HA LEU A 61 -3.407 -1.000 -11.187 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -5.714 -0.961 -12.349 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -5.770 0.752 -11.985 1.00 0.00 H new ATOM 0 HG LEU A 61 -3.158 0.044 -13.091 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -3.931 -0.536 -15.373 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -4.427 -1.775 -14.196 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -5.612 -0.588 -14.791 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -3.765 1.857 -14.676 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -5.444 1.807 -14.089 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -4.136 2.324 -12.999 1.00 0.00 H new ATOM 997 N LEU A 62 -2.354 1.188 -10.626 1.00 0.00 N ATOM 998 CA LEU A 62 -1.710 2.459 -10.194 1.00 0.00 C ATOM 999 C LEU A 62 -0.320 2.565 -10.821 1.00 0.00 C ATOM 1000 O LEU A 62 0.130 3.635 -11.179 1.00 0.00 O ATOM 1001 CB LEU A 62 -1.586 2.473 -8.669 1.00 0.00 C ATOM 1002 CG LEU A 62 -1.608 3.917 -8.166 1.00 0.00 C ATOM 1003 CD1 LEU A 62 -1.492 3.929 -6.641 1.00 0.00 C ATOM 1004 CD2 LEU A 62 -0.431 4.684 -8.772 1.00 0.00 C ATOM 0 H LEU A 62 -1.723 0.502 -11.040 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.318 3.304 -10.517 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.405 1.909 -8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.660 1.985 -8.365 1.00 0.00 H new ATOM 0 HG LEU A 62 -2.544 4.391 -8.462 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -1.508 4.958 -6.283 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -2.329 3.381 -6.208 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -0.556 3.456 -6.344 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.445 5.714 -8.415 1.00 0.00 H new ATOM 0 HD22 LEU A 62 0.504 4.209 -8.475 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.513 4.676 -9.859 1.00 0.00 H new ATOM 1016 N ASP A 63 0.365 1.462 -10.959 1.00 0.00 N ATOM 1017 CA ASP A 63 1.723 1.506 -11.566 1.00 0.00 C ATOM 1018 C ASP A 63 1.663 2.282 -12.882 1.00 0.00 C ATOM 1019 O ASP A 63 2.454 3.172 -13.123 1.00 0.00 O ATOM 1020 CB ASP A 63 2.209 0.080 -11.835 1.00 0.00 C ATOM 1021 CG ASP A 63 2.232 -0.708 -10.525 1.00 0.00 C ATOM 1022 OD1 ASP A 63 1.209 -1.276 -10.179 1.00 0.00 O ATOM 1023 OD2 ASP A 63 3.273 -0.731 -9.888 1.00 0.00 O ATOM 0 H ASP A 63 0.043 0.536 -10.678 1.00 0.00 H new ATOM 0 HA ASP A 63 2.413 2.000 -10.882 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.552 -0.409 -12.554 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.206 0.101 -12.276 1.00 0.00 H new ATOM 1028 N TYR A 64 0.730 1.957 -13.735 1.00 0.00 N ATOM 1029 CA TYR A 64 0.629 2.686 -15.032 1.00 0.00 C ATOM 1030 C TYR A 64 -0.235 3.936 -14.855 1.00 0.00 C ATOM 1031 O TYR A 64 -1.039 4.271 -15.702 1.00 0.00 O ATOM 1032 CB TYR A 64 -0.001 1.777 -16.087 1.00 0.00 C ATOM 1033 CG TYR A 64 0.561 2.124 -17.445 1.00 0.00 C ATOM 1034 CD1 TYR A 64 1.818 1.637 -17.828 1.00 0.00 C ATOM 1035 CD2 TYR A 64 -0.172 2.935 -18.319 1.00 0.00 C ATOM 1036 CE1 TYR A 64 2.340 1.961 -19.088 1.00 0.00 C ATOM 1037 CE2 TYR A 64 0.350 3.259 -19.579 1.00 0.00 C ATOM 1038 CZ TYR A 64 1.605 2.772 -19.964 1.00 0.00 C ATOM 1039 OH TYR A 64 2.120 3.092 -21.203 1.00 0.00 O ATOM 0 H TYR A 64 0.037 1.223 -13.592 1.00 0.00 H new ATOM 0 HA TYR A 64 1.628 2.979 -15.356 1.00 0.00 H new ATOM 0 HB2 TYR A 64 0.203 0.732 -15.852 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -1.084 1.898 -16.087 1.00 0.00 H new ATOM 0 HD1 TYR A 64 2.384 1.012 -17.153 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -1.140 3.311 -18.023 1.00 0.00 H new ATOM 0 HE1 TYR A 64 3.309 1.586 -19.384 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -0.216 3.885 -20.253 1.00 0.00 H new ATOM 0 HH TYR A 64 1.484 3.660 -21.685 1.00 0.00 H new ATOM 1049 N LEU A 65 -0.073 4.633 -13.763 1.00 0.00 N ATOM 1050 CA LEU A 65 -0.883 5.864 -13.538 1.00 0.00 C ATOM 1051 C LEU A 65 -0.882 6.707 -14.817 1.00 0.00 C ATOM 1052 O LEU A 65 -1.875 7.305 -15.179 1.00 0.00 O ATOM 1053 CB LEU A 65 -0.271 6.671 -12.387 1.00 0.00 C ATOM 1054 CG LEU A 65 -0.841 8.092 -12.390 1.00 0.00 C ATOM 1055 CD1 LEU A 65 -1.138 8.529 -10.955 1.00 0.00 C ATOM 1056 CD2 LEU A 65 0.181 9.047 -13.010 1.00 0.00 C ATOM 0 H LEU A 65 0.585 4.403 -13.018 1.00 0.00 H new ATOM 0 HA LEU A 65 -1.907 5.592 -13.283 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -0.486 6.185 -11.435 1.00 0.00 H new ATOM 0 HB3 LEU A 65 0.814 6.704 -12.490 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.762 8.112 -12.973 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.544 9.541 -10.959 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -1.864 7.849 -10.510 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.218 8.510 -10.371 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.223 10.060 -13.013 1.00 0.00 H new ATOM 0 HD22 LEU A 65 1.101 9.025 -12.426 1.00 0.00 H new ATOM 0 HD23 LEU A 65 0.394 8.738 -14.033 1.00 0.00 H new ATOM 1068 N ASN A 66 0.227 6.757 -15.502 1.00 0.00 N ATOM 1069 CA ASN A 66 0.294 7.560 -16.755 1.00 0.00 C ATOM 1070 C ASN A 66 0.131 9.043 -16.420 1.00 0.00 C ATOM 1071 O ASN A 66 -0.807 9.440 -15.758 1.00 0.00 O ATOM 1072 CB ASN A 66 -0.826 7.120 -17.702 1.00 0.00 C ATOM 1073 CG ASN A 66 -0.439 7.462 -19.141 1.00 0.00 C ATOM 1074 OD1 ASN A 66 0.668 7.197 -19.564 1.00 0.00 O ATOM 1075 ND2 ASN A 66 -1.311 8.044 -19.918 1.00 0.00 N ATOM 0 H ASN A 66 1.090 6.276 -15.248 1.00 0.00 H new ATOM 0 HA ASN A 66 1.259 7.403 -17.238 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -0.999 6.048 -17.605 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -1.758 7.618 -17.436 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -1.062 8.276 -20.880 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -2.241 8.267 -19.564 1.00 0.00 H new ATOM 1082 N TYR A 67 1.037 9.866 -16.871 1.00 0.00 N ATOM 1083 CA TYR A 67 0.934 11.322 -16.575 1.00 0.00 C ATOM 1084 C TYR A 67 -0.215 11.932 -17.380 1.00 0.00 C ATOM 1085 O TYR A 67 -0.856 11.266 -18.169 1.00 0.00 O ATOM 1086 CB TYR A 67 2.244 12.016 -16.958 1.00 0.00 C ATOM 1087 CG TYR A 67 3.069 12.247 -15.715 1.00 0.00 C ATOM 1088 CD1 TYR A 67 2.529 12.967 -14.640 1.00 0.00 C ATOM 1089 CD2 TYR A 67 4.373 11.742 -15.636 1.00 0.00 C ATOM 1090 CE1 TYR A 67 3.294 13.181 -13.486 1.00 0.00 C ATOM 1091 CE2 TYR A 67 5.138 11.955 -14.482 1.00 0.00 C ATOM 1092 CZ TYR A 67 4.598 12.675 -13.407 1.00 0.00 C ATOM 1093 OH TYR A 67 5.351 12.884 -12.269 1.00 0.00 O ATOM 0 H TYR A 67 1.844 9.593 -17.432 1.00 0.00 H new ATOM 0 HA TYR A 67 0.744 11.459 -15.510 1.00 0.00 H new ATOM 0 HB2 TYR A 67 2.799 11.403 -17.668 1.00 0.00 H new ATOM 0 HB3 TYR A 67 2.035 12.965 -17.451 1.00 0.00 H new ATOM 0 HD1 TYR A 67 1.524 13.357 -14.701 1.00 0.00 H new ATOM 0 HD2 TYR A 67 4.789 11.188 -16.465 1.00 0.00 H new ATOM 0 HE1 TYR A 67 2.879 13.736 -12.658 1.00 0.00 H new ATOM 0 HE2 TYR A 67 6.143 11.565 -14.420 1.00 0.00 H new ATOM 0 HH TYR A 67 6.231 12.467 -12.378 1.00 0.00 H new ATOM 1103 N ARG A 68 -0.479 13.195 -17.186 1.00 0.00 N ATOM 1104 CA ARG A 68 -1.584 13.854 -17.937 1.00 0.00 C ATOM 1105 C ARG A 68 -1.574 15.353 -17.638 1.00 0.00 C ATOM 1106 O ARG A 68 -1.181 15.780 -16.570 1.00 0.00 O ATOM 1107 CB ARG A 68 -2.924 13.257 -17.504 1.00 0.00 C ATOM 1108 CG ARG A 68 -3.952 13.455 -18.620 1.00 0.00 C ATOM 1109 CD ARG A 68 -4.618 12.116 -18.944 1.00 0.00 C ATOM 1110 NE ARG A 68 -4.509 11.850 -20.407 1.00 0.00 N ATOM 1111 CZ ARG A 68 -5.124 10.825 -20.933 1.00 0.00 C ATOM 1112 NH1 ARG A 68 -6.203 10.353 -20.372 1.00 0.00 N ATOM 1113 NH2 ARG A 68 -4.659 10.274 -22.021 1.00 0.00 N ATOM 0 H ARG A 68 0.025 13.800 -16.538 1.00 0.00 H new ATOM 0 HA ARG A 68 -1.445 13.693 -19.006 1.00 0.00 H new ATOM 0 HB2 ARG A 68 -2.808 12.195 -17.285 1.00 0.00 H new ATOM 0 HB3 ARG A 68 -3.269 13.736 -16.587 1.00 0.00 H new ATOM 0 HG2 ARG A 68 -4.704 14.182 -18.312 1.00 0.00 H new ATOM 0 HG3 ARG A 68 -3.466 13.856 -19.509 1.00 0.00 H new ATOM 0 HD2 ARG A 68 -4.141 11.314 -18.381 1.00 0.00 H new ATOM 0 HD3 ARG A 68 -5.666 12.136 -18.644 1.00 0.00 H new ATOM 0 HE ARG A 68 -3.954 12.469 -20.998 1.00 0.00 H new ATOM 0 HH11 ARG A 68 -6.567 10.785 -19.522 1.00 0.00 H new ATOM 0 HH12 ARG A 68 -6.683 9.552 -20.783 1.00 0.00 H new ATOM 0 HH21 ARG A 68 -3.816 10.644 -22.460 1.00 0.00 H new ATOM 0 HH22 ARG A 68 -5.139 9.473 -22.432 1.00 0.00 H new ATOM 1127 N GLN A 69 -2.000 16.159 -18.572 1.00 0.00 N ATOM 1128 CA GLN A 69 -2.011 17.630 -18.337 1.00 0.00 C ATOM 1129 C GLN A 69 -3.454 18.137 -18.339 1.00 0.00 C ATOM 1130 O GLN A 69 -3.877 18.838 -17.440 1.00 0.00 O ATOM 1131 CB GLN A 69 -1.220 18.328 -19.445 1.00 0.00 C ATOM 1132 CG GLN A 69 0.012 19.006 -18.843 1.00 0.00 C ATOM 1133 CD GLN A 69 0.894 17.955 -18.166 1.00 0.00 C ATOM 1134 OE1 GLN A 69 0.981 16.762 -18.686 1.00 0.00 O flip ATOM 1135 NE2 GLN A 69 1.511 18.224 -17.154 1.00 0.00 N flip ATOM 0 H GLN A 69 -2.340 15.862 -19.487 1.00 0.00 H new ATOM 0 HA GLN A 69 -1.553 17.848 -17.372 1.00 0.00 H new ATOM 0 HB2 GLN A 69 -0.917 17.604 -20.201 1.00 0.00 H new ATOM 0 HB3 GLN A 69 -1.847 19.067 -19.944 1.00 0.00 H new ATOM 0 HG2 GLN A 69 0.574 19.520 -19.622 1.00 0.00 H new ATOM 0 HG3 GLN A 69 -0.293 19.761 -18.119 1.00 0.00 H new ATOM 0 HE21 GLN A 69 1.443 19.157 -16.748 1.00 0.00 H new ATOM 0 HE22 GLN A 69 2.097 17.517 -16.711 1.00 0.00 H new ATOM 1144 N ASP A 70 -4.215 17.790 -19.341 1.00 0.00 N ATOM 1145 CA ASP A 70 -5.630 18.255 -19.397 1.00 0.00 C ATOM 1146 C ASP A 70 -6.473 17.443 -18.412 1.00 0.00 C ATOM 1147 O ASP A 70 -5.979 16.565 -17.733 1.00 0.00 O ATOM 1148 CB ASP A 70 -6.175 18.062 -20.814 1.00 0.00 C ATOM 1149 CG ASP A 70 -6.709 19.395 -21.340 1.00 0.00 C ATOM 1150 OD1 ASP A 70 -6.140 20.417 -20.995 1.00 0.00 O ATOM 1151 OD2 ASP A 70 -7.679 19.371 -22.080 1.00 0.00 O ATOM 0 H ASP A 70 -3.918 17.205 -20.122 1.00 0.00 H new ATOM 0 HA ASP A 70 -5.676 19.311 -19.131 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -5.389 17.689 -21.470 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -6.969 17.315 -20.811 1.00 0.00 H new ATOM 1156 N THR A 71 -7.743 17.731 -18.329 1.00 0.00 N ATOM 1157 CA THR A 71 -8.620 16.977 -17.388 1.00 0.00 C ATOM 1158 C THR A 71 -9.933 16.624 -18.092 1.00 0.00 C ATOM 1159 O THR A 71 -10.991 17.091 -17.721 1.00 0.00 O ATOM 1160 CB THR A 71 -8.914 17.843 -16.161 1.00 0.00 C ATOM 1161 OG1 THR A 71 -9.654 18.990 -16.559 1.00 0.00 O ATOM 1162 CG2 THR A 71 -7.599 18.280 -15.515 1.00 0.00 C ATOM 0 H THR A 71 -8.212 18.456 -18.872 1.00 0.00 H new ATOM 0 HA THR A 71 -8.118 16.062 -17.073 1.00 0.00 H new ATOM 0 HB THR A 71 -9.495 17.267 -15.441 1.00 0.00 H new ATOM 0 HG1 THR A 71 -10.536 18.713 -16.886 1.00 0.00 H new ATOM 0 HG21 THR A 71 -7.810 18.897 -14.641 1.00 0.00 H new ATOM 0 HG22 THR A 71 -7.033 17.400 -15.210 1.00 0.00 H new ATOM 0 HG23 THR A 71 -7.015 18.856 -16.233 1.00 0.00 H new ATOM 1170 N LEU A 72 -9.872 15.805 -19.105 1.00 0.00 N ATOM 1171 CA LEU A 72 -11.116 15.426 -19.832 1.00 0.00 C ATOM 1172 C LEU A 72 -11.394 13.935 -19.629 1.00 0.00 C ATOM 1173 O LEU A 72 -11.514 13.183 -20.576 1.00 0.00 O ATOM 1174 CB LEU A 72 -10.945 15.716 -21.324 1.00 0.00 C ATOM 1175 CG LEU A 72 -11.312 17.173 -21.605 1.00 0.00 C ATOM 1176 CD1 LEU A 72 -10.819 17.567 -22.999 1.00 0.00 C ATOM 1177 CD2 LEU A 72 -12.832 17.336 -21.538 1.00 0.00 C ATOM 0 H LEU A 72 -9.015 15.382 -19.461 1.00 0.00 H new ATOM 0 HA LEU A 72 -11.953 16.006 -19.444 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -9.916 15.524 -21.627 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -11.579 15.051 -21.910 1.00 0.00 H new ATOM 0 HG LEU A 72 -10.842 17.815 -20.860 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -11.082 18.606 -23.198 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -9.736 17.450 -23.048 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -11.287 16.925 -23.745 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -13.096 18.375 -21.738 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -13.300 16.693 -22.283 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -13.184 17.057 -20.545 1.00 0.00 H new ATOM 1189 N ASP A 73 -11.499 13.502 -18.404 1.00 0.00 N ATOM 1190 CA ASP A 73 -11.772 12.061 -18.144 1.00 0.00 C ATOM 1191 C ASP A 73 -13.210 11.898 -17.652 1.00 0.00 C ATOM 1192 O ASP A 73 -13.492 11.105 -16.775 1.00 0.00 O ATOM 1193 CB ASP A 73 -10.803 11.542 -17.080 1.00 0.00 C ATOM 1194 CG ASP A 73 -9.366 11.840 -17.510 1.00 0.00 C ATOM 1195 OD1 ASP A 73 -9.083 12.988 -17.806 1.00 0.00 O ATOM 1196 OD2 ASP A 73 -8.573 10.912 -17.537 1.00 0.00 O ATOM 0 H ASP A 73 -11.408 14.084 -17.571 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.637 11.492 -19.064 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -11.012 12.015 -16.121 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -10.938 10.469 -16.943 1.00 0.00 H new ATOM 1201 N ARG A 74 -14.123 12.645 -18.210 1.00 0.00 N ATOM 1202 CA ARG A 74 -15.543 12.536 -17.776 1.00 0.00 C ATOM 1203 C ARG A 74 -16.174 11.283 -18.388 1.00 0.00 C ATOM 1204 O ARG A 74 -16.938 10.586 -17.750 1.00 0.00 O ATOM 1205 CB ARG A 74 -16.313 13.773 -18.243 1.00 0.00 C ATOM 1206 CG ARG A 74 -16.681 14.629 -17.030 1.00 0.00 C ATOM 1207 CD ARG A 74 -18.067 14.226 -16.525 1.00 0.00 C ATOM 1208 NE ARG A 74 -18.645 15.337 -15.719 1.00 0.00 N ATOM 1209 CZ ARG A 74 -19.688 15.121 -14.965 1.00 0.00 C ATOM 1210 NH1 ARG A 74 -19.529 14.720 -13.733 1.00 0.00 N ATOM 1211 NH2 ARG A 74 -20.888 15.304 -15.443 1.00 0.00 N ATOM 0 H ARG A 74 -13.946 13.326 -18.948 1.00 0.00 H new ATOM 0 HA ARG A 74 -15.585 12.467 -16.689 1.00 0.00 H new ATOM 0 HB2 ARG A 74 -15.706 14.351 -18.940 1.00 0.00 H new ATOM 0 HB3 ARG A 74 -17.214 13.474 -18.778 1.00 0.00 H new ATOM 0 HG2 ARG A 74 -15.942 14.497 -16.240 1.00 0.00 H new ATOM 0 HG3 ARG A 74 -16.673 15.685 -17.300 1.00 0.00 H new ATOM 0 HD2 ARG A 74 -18.720 13.996 -17.367 1.00 0.00 H new ATOM 0 HD3 ARG A 74 -17.997 13.322 -15.920 1.00 0.00 H new ATOM 0 HE ARG A 74 -18.226 16.266 -15.756 1.00 0.00 H new ATOM 0 HH11 ARG A 74 -18.590 14.576 -13.361 1.00 0.00 H new ATOM 0 HH12 ARG A 74 -20.343 14.551 -13.143 1.00 0.00 H new ATOM 0 HH21 ARG A 74 -21.011 15.616 -16.406 1.00 0.00 H new ATOM 0 HH22 ARG A 74 -21.703 15.135 -14.853 1.00 0.00 H new ATOM 1225 N LEU A 75 -15.863 10.997 -19.621 1.00 0.00 N ATOM 1226 CA LEU A 75 -16.447 9.794 -20.279 1.00 0.00 C ATOM 1227 C LEU A 75 -15.887 8.525 -19.632 1.00 0.00 C ATOM 1228 O LEU A 75 -16.569 7.527 -19.513 1.00 0.00 O ATOM 1229 CB LEU A 75 -16.089 9.809 -21.767 1.00 0.00 C ATOM 1230 CG LEU A 75 -16.718 8.599 -22.457 1.00 0.00 C ATOM 1231 CD1 LEU A 75 -18.024 9.019 -23.133 1.00 0.00 C ATOM 1232 CD2 LEU A 75 -15.751 8.056 -23.511 1.00 0.00 C ATOM 0 H LEU A 75 -15.229 11.545 -20.203 1.00 0.00 H new ATOM 0 HA LEU A 75 -17.531 9.807 -20.161 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -16.446 10.730 -22.228 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -15.006 9.789 -21.891 1.00 0.00 H new ATOM 0 HG LEU A 75 -16.924 7.825 -21.718 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -18.473 8.156 -23.625 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -18.713 9.408 -22.383 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -17.818 9.792 -23.873 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -16.198 7.193 -24.004 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -15.546 8.831 -24.250 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -14.819 7.757 -23.031 1.00 0.00 H new ATOM 1244 N LYS A 76 -14.651 8.552 -19.214 1.00 0.00 N ATOM 1245 CA LYS A 76 -14.055 7.344 -18.579 1.00 0.00 C ATOM 1246 C LYS A 76 -14.746 7.071 -17.242 1.00 0.00 C ATOM 1247 O LYS A 76 -14.830 5.945 -16.799 1.00 0.00 O ATOM 1248 CB LYS A 76 -12.559 7.572 -18.348 1.00 0.00 C ATOM 1249 CG LYS A 76 -11.755 6.593 -19.207 1.00 0.00 C ATOM 1250 CD LYS A 76 -10.649 7.349 -19.948 1.00 0.00 C ATOM 1251 CE LYS A 76 -10.077 6.463 -21.055 1.00 0.00 C ATOM 1252 NZ LYS A 76 -11.179 6.017 -21.955 1.00 0.00 N ATOM 0 H LYS A 76 -14.029 9.358 -19.285 1.00 0.00 H new ATOM 0 HA LYS A 76 -14.193 6.486 -19.236 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -12.293 8.598 -18.602 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -12.317 7.431 -17.294 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.320 5.815 -18.579 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -12.412 6.096 -19.921 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -11.047 8.270 -20.374 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -9.860 7.634 -19.252 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -9.328 7.013 -21.625 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -9.576 5.598 -20.621 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.792 5.796 -22.894 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.630 5.168 -21.557 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -11.885 6.776 -22.042 1.00 0.00 H new ATOM 1266 N GLU A 77 -15.246 8.090 -16.598 1.00 0.00 N ATOM 1267 CA GLU A 77 -15.935 7.874 -15.293 1.00 0.00 C ATOM 1268 C GLU A 77 -17.103 6.905 -15.493 1.00 0.00 C ATOM 1269 O GLU A 77 -17.284 5.974 -14.737 1.00 0.00 O ATOM 1270 CB GLU A 77 -16.463 9.210 -14.768 1.00 0.00 C ATOM 1271 CG GLU A 77 -15.474 9.788 -13.754 1.00 0.00 C ATOM 1272 CD GLU A 77 -16.190 10.027 -12.424 1.00 0.00 C ATOM 1273 OE1 GLU A 77 -16.544 9.054 -11.779 1.00 0.00 O ATOM 1274 OE2 GLU A 77 -16.373 11.182 -12.071 1.00 0.00 O ATOM 0 H GLU A 77 -15.208 9.058 -16.916 1.00 0.00 H new ATOM 0 HA GLU A 77 -15.232 7.455 -14.573 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -16.602 9.908 -15.594 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -17.438 9.069 -14.301 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -14.639 9.102 -13.612 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -15.057 10.723 -14.128 1.00 0.00 H new ATOM 1281 N ARG A 78 -17.894 7.118 -16.509 1.00 0.00 N ATOM 1282 CA ARG A 78 -19.047 6.206 -16.758 1.00 0.00 C ATOM 1283 C ARG A 78 -18.534 4.893 -17.351 1.00 0.00 C ATOM 1284 O ARG A 78 -19.114 3.843 -17.155 1.00 0.00 O ATOM 1285 CB ARG A 78 -20.017 6.867 -17.740 1.00 0.00 C ATOM 1286 CG ARG A 78 -21.176 5.910 -18.034 1.00 0.00 C ATOM 1287 CD ARG A 78 -22.504 6.623 -17.775 1.00 0.00 C ATOM 1288 NE ARG A 78 -23.298 6.665 -19.036 1.00 0.00 N ATOM 1289 CZ ARG A 78 -23.508 7.804 -19.637 1.00 0.00 C ATOM 1290 NH1 ARG A 78 -22.619 8.277 -20.467 1.00 0.00 N ATOM 1291 NH2 ARG A 78 -24.607 8.470 -19.409 1.00 0.00 N ATOM 0 H ARG A 78 -17.792 7.883 -17.176 1.00 0.00 H new ATOM 0 HA ARG A 78 -19.564 6.005 -15.820 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -20.398 7.798 -17.321 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -19.498 7.122 -18.664 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -21.129 5.571 -19.069 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -21.098 5.023 -17.405 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -23.063 6.103 -16.997 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -22.322 7.635 -17.413 1.00 0.00 H new ATOM 0 HE ARG A 78 -23.677 5.803 -19.429 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -21.760 7.756 -20.646 1.00 0.00 H new ATOM 0 HH12 ARG A 78 -22.783 9.167 -20.937 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -25.302 8.100 -18.761 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -24.771 9.360 -19.879 1.00 0.00 H new ATOM 1305 N LEU A 79 -17.449 4.943 -18.075 1.00 0.00 N ATOM 1306 CA LEU A 79 -16.896 3.699 -18.680 1.00 0.00 C ATOM 1307 C LEU A 79 -16.394 2.775 -17.569 1.00 0.00 C ATOM 1308 O LEU A 79 -16.350 1.568 -17.722 1.00 0.00 O ATOM 1309 CB LEU A 79 -15.732 4.058 -19.609 1.00 0.00 C ATOM 1310 CG LEU A 79 -15.496 2.917 -20.599 1.00 0.00 C ATOM 1311 CD1 LEU A 79 -14.752 3.450 -21.825 1.00 0.00 C ATOM 1312 CD2 LEU A 79 -14.656 1.827 -19.929 1.00 0.00 C ATOM 0 H LEU A 79 -16.921 5.793 -18.274 1.00 0.00 H new ATOM 0 HA LEU A 79 -17.675 3.194 -19.251 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -15.954 4.980 -20.147 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -14.830 4.239 -19.025 1.00 0.00 H new ATOM 0 HG LEU A 79 -16.455 2.501 -20.908 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -14.584 2.636 -22.531 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -15.348 4.227 -22.303 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -13.793 3.866 -21.516 1.00 0.00 H new ATOM 0 HD21 LEU A 79 -14.487 1.013 -20.634 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -13.698 2.244 -19.620 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -15.184 1.446 -19.055 1.00 0.00 H new ATOM 1324 N VAL A 80 -16.012 3.336 -16.450 1.00 0.00 N ATOM 1325 CA VAL A 80 -15.509 2.498 -15.323 1.00 0.00 C ATOM 1326 C VAL A 80 -16.370 1.243 -15.195 1.00 0.00 C ATOM 1327 O VAL A 80 -17.464 1.170 -15.720 1.00 0.00 O ATOM 1328 CB VAL A 80 -15.577 3.286 -14.015 1.00 0.00 C ATOM 1329 CG1 VAL A 80 -14.972 2.450 -12.886 1.00 0.00 C ATOM 1330 CG2 VAL A 80 -14.791 4.590 -14.159 1.00 0.00 C ATOM 0 H VAL A 80 -16.027 4.340 -16.269 1.00 0.00 H new ATOM 0 HA VAL A 80 -14.475 2.218 -15.524 1.00 0.00 H new ATOM 0 HB VAL A 80 -16.617 3.514 -13.784 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -15.020 3.011 -11.952 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -15.532 1.521 -12.781 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -13.932 2.222 -13.119 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -14.841 5.150 -13.225 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -13.750 4.364 -14.391 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -15.221 5.187 -14.963 1.00 0.00 H new ATOM 1340 N GLY A 81 -15.883 0.255 -14.501 1.00 0.00 N ATOM 1341 CA GLY A 81 -16.667 -1.002 -14.342 1.00 0.00 C ATOM 1342 C GLY A 81 -16.401 -1.914 -15.542 1.00 0.00 C ATOM 1343 O GLY A 81 -16.060 -3.071 -15.392 1.00 0.00 O ATOM 0 H GLY A 81 -14.975 0.262 -14.036 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -16.386 -1.506 -13.417 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -17.731 -0.775 -14.271 1.00 0.00 H new ATOM 1347 N ARG A 82 -16.553 -1.398 -16.734 1.00 0.00 N ATOM 1348 CA ARG A 82 -16.314 -2.225 -17.951 1.00 0.00 C ATOM 1349 C ARG A 82 -15.071 -3.097 -17.756 1.00 0.00 C ATOM 1350 O ARG A 82 -14.246 -2.839 -16.901 1.00 0.00 O ATOM 1351 CB ARG A 82 -16.101 -1.301 -19.151 1.00 0.00 C ATOM 1352 CG ARG A 82 -16.031 -2.131 -20.433 1.00 0.00 C ATOM 1353 CD ARG A 82 -16.185 -1.209 -21.643 1.00 0.00 C ATOM 1354 NE ARG A 82 -17.244 -1.746 -22.543 1.00 0.00 N ATOM 1355 CZ ARG A 82 -18.377 -2.154 -22.042 1.00 0.00 C ATOM 1356 NH1 ARG A 82 -18.932 -1.494 -21.062 1.00 0.00 N ATOM 1357 NH2 ARG A 82 -18.955 -3.222 -22.519 1.00 0.00 N ATOM 0 H ARG A 82 -16.834 -0.434 -16.916 1.00 0.00 H new ATOM 0 HA ARG A 82 -17.177 -2.868 -18.125 1.00 0.00 H new ATOM 0 HB2 ARG A 82 -16.916 -0.580 -19.217 1.00 0.00 H new ATOM 0 HB3 ARG A 82 -15.181 -0.731 -19.025 1.00 0.00 H new ATOM 0 HG2 ARG A 82 -15.080 -2.661 -20.485 1.00 0.00 H new ATOM 0 HG3 ARG A 82 -16.817 -2.886 -20.434 1.00 0.00 H new ATOM 0 HD2 ARG A 82 -16.446 -0.202 -21.316 1.00 0.00 H new ATOM 0 HD3 ARG A 82 -15.239 -1.134 -22.180 1.00 0.00 H new ATOM 0 HE ARG A 82 -17.083 -1.794 -23.549 1.00 0.00 H new ATOM 0 HH11 ARG A 82 -18.480 -0.660 -20.688 1.00 0.00 H new ATOM 0 HH12 ARG A 82 -19.818 -1.813 -20.670 1.00 0.00 H new ATOM 0 HH21 ARG A 82 -18.521 -3.738 -23.284 1.00 0.00 H new ATOM 0 HH22 ARG A 82 -19.841 -3.541 -22.127 1.00 0.00 H new ATOM 1371 N VAL A 83 -14.929 -4.125 -18.547 1.00 0.00 N ATOM 1372 CA VAL A 83 -13.738 -5.010 -18.417 1.00 0.00 C ATOM 1373 C VAL A 83 -12.705 -4.614 -19.473 1.00 0.00 C ATOM 1374 O VAL A 83 -13.045 -4.297 -20.596 1.00 0.00 O ATOM 1375 CB VAL A 83 -14.157 -6.466 -18.630 1.00 0.00 C ATOM 1376 CG1 VAL A 83 -12.909 -7.340 -18.769 1.00 0.00 C ATOM 1377 CG2 VAL A 83 -14.978 -6.942 -17.428 1.00 0.00 C ATOM 0 H VAL A 83 -15.588 -4.390 -19.279 1.00 0.00 H new ATOM 0 HA VAL A 83 -13.306 -4.903 -17.422 1.00 0.00 H new ATOM 0 HB VAL A 83 -14.759 -6.542 -19.536 1.00 0.00 H new ATOM 0 HG11 VAL A 83 -13.206 -8.378 -18.921 1.00 0.00 H new ATOM 0 HG12 VAL A 83 -12.322 -7.002 -19.623 1.00 0.00 H new ATOM 0 HG13 VAL A 83 -12.309 -7.264 -17.863 1.00 0.00 H new ATOM 0 HG21 VAL A 83 -15.277 -7.979 -17.579 1.00 0.00 H new ATOM 0 HG22 VAL A 83 -14.375 -6.866 -16.523 1.00 0.00 H new ATOM 0 HG23 VAL A 83 -15.867 -6.320 -17.325 1.00 0.00 H new ATOM 1387 N ILE A 84 -11.447 -4.622 -19.124 1.00 0.00 N ATOM 1388 CA ILE A 84 -10.400 -4.238 -20.113 1.00 0.00 C ATOM 1389 C ILE A 84 -9.191 -5.164 -19.971 1.00 0.00 C ATOM 1390 O ILE A 84 -9.133 -5.997 -19.088 1.00 0.00 O ATOM 1391 CB ILE A 84 -9.954 -2.792 -19.866 1.00 0.00 C ATOM 1392 CG1 ILE A 84 -9.111 -2.727 -18.588 1.00 0.00 C ATOM 1393 CG2 ILE A 84 -11.178 -1.886 -19.721 1.00 0.00 C ATOM 1394 CD1 ILE A 84 -9.976 -3.078 -17.375 1.00 0.00 C ATOM 0 H ILE A 84 -11.100 -4.877 -18.199 1.00 0.00 H new ATOM 0 HA ILE A 84 -10.815 -4.326 -21.117 1.00 0.00 H new ATOM 0 HB ILE A 84 -9.358 -2.452 -20.713 1.00 0.00 H new ATOM 0 HG12 ILE A 84 -8.272 -3.419 -18.660 1.00 0.00 H new ATOM 0 HG13 ILE A 84 -8.691 -1.728 -18.469 1.00 0.00 H new ATOM 0 HG21 ILE A 84 -10.853 -0.860 -19.546 1.00 0.00 H new ATOM 0 HG22 ILE A 84 -11.772 -1.927 -20.634 1.00 0.00 H new ATOM 0 HG23 ILE A 84 -11.783 -2.224 -18.879 1.00 0.00 H new ATOM 0 HD11 ILE A 84 -9.370 -3.030 -16.470 1.00 0.00 H new ATOM 0 HD12 ILE A 84 -10.800 -2.369 -17.298 1.00 0.00 H new ATOM 0 HD13 ILE A 84 -10.374 -4.086 -17.492 1.00 0.00 H new ATOM 1406 N LYS A 85 -8.222 -5.017 -20.834 1.00 0.00 N ATOM 1407 CA LYS A 85 -7.012 -5.880 -20.751 1.00 0.00 C ATOM 1408 C LYS A 85 -5.890 -5.110 -20.053 1.00 0.00 C ATOM 1409 O LYS A 85 -5.555 -4.004 -20.432 1.00 0.00 O ATOM 1410 CB LYS A 85 -6.563 -6.268 -22.161 1.00 0.00 C ATOM 1411 CG LYS A 85 -6.641 -7.787 -22.323 1.00 0.00 C ATOM 1412 CD LYS A 85 -5.896 -8.203 -23.592 1.00 0.00 C ATOM 1413 CE LYS A 85 -4.392 -8.003 -23.391 1.00 0.00 C ATOM 1414 NZ LYS A 85 -3.649 -9.091 -24.089 1.00 0.00 N ATOM 0 H LYS A 85 -8.217 -4.336 -21.593 1.00 0.00 H new ATOM 0 HA LYS A 85 -7.245 -6.782 -20.185 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -7.195 -5.780 -22.902 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -5.543 -5.925 -22.336 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -6.204 -8.279 -21.454 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -7.682 -8.105 -22.379 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -6.107 -9.247 -23.824 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -6.242 -7.612 -24.440 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -4.088 -7.032 -23.781 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -4.152 -8.008 -22.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -2.627 -8.956 -23.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -3.932 -10.012 -23.697 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -3.869 -9.065 -25.105 1.00 0.00 H new ATOM 1428 N THR A 86 -5.304 -5.681 -19.037 1.00 0.00 N ATOM 1429 CA THR A 86 -4.206 -4.977 -18.318 1.00 0.00 C ATOM 1430 C THR A 86 -3.098 -5.974 -17.975 1.00 0.00 C ATOM 1431 O THR A 86 -3.236 -7.165 -18.181 1.00 0.00 O ATOM 1432 CB THR A 86 -4.753 -4.359 -17.030 1.00 0.00 C ATOM 1433 OG1 THR A 86 -5.239 -5.390 -16.182 1.00 0.00 O ATOM 1434 CG2 THR A 86 -5.890 -3.395 -17.368 1.00 0.00 C ATOM 0 H THR A 86 -5.538 -6.605 -18.674 1.00 0.00 H new ATOM 0 HA THR A 86 -3.802 -4.190 -18.955 1.00 0.00 H new ATOM 0 HB THR A 86 -3.958 -3.814 -16.521 1.00 0.00 H new ATOM 0 HG1 THR A 86 -5.860 -5.009 -15.526 1.00 0.00 H new ATOM 0 HG21 THR A 86 -6.279 -2.955 -16.450 1.00 0.00 H new ATOM 0 HG22 THR A 86 -5.516 -2.605 -18.019 1.00 0.00 H new ATOM 0 HG23 THR A 86 -6.687 -3.937 -17.877 1.00 0.00 H new ATOM 1442 N ARG A 87 -1.998 -5.499 -17.454 1.00 0.00 N ATOM 1443 CA ARG A 87 -0.885 -6.423 -17.101 1.00 0.00 C ATOM 1444 C ARG A 87 -0.833 -6.605 -15.583 1.00 0.00 C ATOM 1445 O ARG A 87 -1.362 -5.807 -14.833 1.00 0.00 O ATOM 1446 CB ARG A 87 0.439 -5.834 -17.592 1.00 0.00 C ATOM 1447 CG ARG A 87 0.233 -5.192 -18.965 1.00 0.00 C ATOM 1448 CD ARG A 87 -0.232 -6.256 -19.960 1.00 0.00 C ATOM 1449 NE ARG A 87 0.645 -6.226 -21.165 1.00 0.00 N ATOM 1450 CZ ARG A 87 1.740 -6.934 -21.191 1.00 0.00 C ATOM 1451 NH1 ARG A 87 2.655 -6.754 -20.279 1.00 0.00 N ATOM 1452 NH2 ARG A 87 1.920 -7.823 -22.129 1.00 0.00 N ATOM 0 H ARG A 87 -1.824 -4.513 -17.259 1.00 0.00 H new ATOM 0 HA ARG A 87 -1.051 -7.390 -17.575 1.00 0.00 H new ATOM 0 HB2 ARG A 87 0.804 -5.092 -16.883 1.00 0.00 H new ATOM 0 HB3 ARG A 87 1.196 -6.615 -17.654 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -0.506 -4.394 -18.898 1.00 0.00 H new ATOM 0 HG3 ARG A 87 1.162 -4.738 -19.309 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -0.198 -7.242 -19.497 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -1.268 -6.074 -20.246 1.00 0.00 H new ATOM 0 HE ARG A 87 0.389 -5.652 -21.969 1.00 0.00 H new ATOM 0 HH11 ARG A 87 2.514 -6.059 -19.545 1.00 0.00 H new ATOM 0 HH12 ARG A 87 3.511 -7.308 -20.299 1.00 0.00 H new ATOM 0 HH21 ARG A 87 1.204 -7.964 -22.842 1.00 0.00 H new ATOM 0 HH22 ARG A 87 2.776 -8.377 -22.149 1.00 0.00 H new ATOM 1466 N VAL A 88 -0.191 -7.646 -15.126 1.00 0.00 N ATOM 1467 CA VAL A 88 -0.100 -7.882 -13.659 1.00 0.00 C ATOM 1468 C VAL A 88 1.239 -7.345 -13.154 1.00 0.00 C ATOM 1469 O VAL A 88 2.292 -7.823 -13.524 1.00 0.00 O ATOM 1470 CB VAL A 88 -0.193 -9.382 -13.375 1.00 0.00 C ATOM 1471 CG1 VAL A 88 0.124 -9.648 -11.902 1.00 0.00 C ATOM 1472 CG2 VAL A 88 -1.610 -9.871 -13.685 1.00 0.00 C ATOM 0 H VAL A 88 0.274 -8.343 -15.707 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.918 -7.371 -13.150 1.00 0.00 H new ATOM 0 HB VAL A 88 0.524 -9.913 -14.001 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.057 -10.718 -11.703 1.00 0.00 H new ATOM 0 HG12 VAL A 88 1.132 -9.300 -11.678 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -0.591 -9.116 -11.274 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -1.678 -10.940 -13.483 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -2.324 -9.337 -13.058 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -1.838 -9.685 -14.735 1.00 0.00 H new ATOM 1482 N VAL A 89 1.202 -6.341 -12.324 1.00 0.00 N ATOM 1483 CA VAL A 89 2.466 -5.752 -11.806 1.00 0.00 C ATOM 1484 C VAL A 89 3.094 -6.679 -10.762 1.00 0.00 C ATOM 1485 O VAL A 89 4.298 -6.836 -10.707 1.00 0.00 O ATOM 1486 CB VAL A 89 2.164 -4.398 -11.168 1.00 0.00 C ATOM 1487 CG1 VAL A 89 3.397 -3.897 -10.414 1.00 0.00 C ATOM 1488 CG2 VAL A 89 1.794 -3.394 -12.262 1.00 0.00 C ATOM 0 H VAL A 89 0.347 -5.902 -11.981 1.00 0.00 H new ATOM 0 HA VAL A 89 3.166 -5.626 -12.632 1.00 0.00 H new ATOM 0 HB VAL A 89 1.333 -4.504 -10.470 1.00 0.00 H new ATOM 0 HG11 VAL A 89 3.178 -2.931 -9.960 1.00 0.00 H new ATOM 0 HG12 VAL A 89 3.663 -4.612 -9.635 1.00 0.00 H new ATOM 0 HG13 VAL A 89 4.230 -3.791 -11.109 1.00 0.00 H new ATOM 0 HG21 VAL A 89 1.578 -2.426 -11.810 1.00 0.00 H new ATOM 0 HG22 VAL A 89 2.626 -3.291 -12.958 1.00 0.00 H new ATOM 0 HG23 VAL A 89 0.914 -3.748 -12.799 1.00 0.00 H new ATOM 1498 N ARG A 90 2.298 -7.290 -9.927 1.00 0.00 N ATOM 1499 CA ARG A 90 2.872 -8.196 -8.892 1.00 0.00 C ATOM 1500 C ARG A 90 1.752 -8.778 -8.025 1.00 0.00 C ATOM 1501 O ARG A 90 1.247 -8.131 -7.130 1.00 0.00 O ATOM 1502 CB ARG A 90 3.833 -7.401 -8.005 1.00 0.00 C ATOM 1503 CG ARG A 90 5.092 -8.230 -7.742 1.00 0.00 C ATOM 1504 CD ARG A 90 4.877 -9.106 -6.507 1.00 0.00 C ATOM 1505 NE ARG A 90 4.536 -8.244 -5.341 1.00 0.00 N ATOM 1506 CZ ARG A 90 5.440 -7.454 -4.828 1.00 0.00 C ATOM 1507 NH1 ARG A 90 6.466 -7.959 -4.199 1.00 0.00 N ATOM 1508 NH2 ARG A 90 5.318 -6.160 -4.942 1.00 0.00 N ATOM 0 H ARG A 90 1.282 -7.202 -9.916 1.00 0.00 H new ATOM 0 HA ARG A 90 3.404 -9.010 -9.384 1.00 0.00 H new ATOM 0 HB2 ARG A 90 4.098 -6.461 -8.490 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.348 -7.148 -7.062 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.318 -8.853 -8.608 1.00 0.00 H new ATOM 0 HG3 ARG A 90 5.948 -7.573 -7.590 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.076 -9.822 -6.691 1.00 0.00 H new ATOM 0 HD3 ARG A 90 5.777 -9.683 -6.296 1.00 0.00 H new ATOM 0 HE ARG A 90 3.597 -8.271 -4.944 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.561 -8.970 -4.108 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.173 -7.342 -3.798 1.00 0.00 H new ATOM 0 HH21 ARG A 90 4.516 -5.765 -5.432 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.025 -5.544 -4.541 1.00 0.00 H new ATOM 1522 N ALA A 91 1.366 -9.998 -8.280 1.00 0.00 N ATOM 1523 CA ALA A 91 0.288 -10.623 -7.463 1.00 0.00 C ATOM 1524 C ALA A 91 0.915 -11.341 -6.266 1.00 0.00 C ATOM 1525 O ALA A 91 1.751 -12.209 -6.422 1.00 0.00 O ATOM 1526 CB ALA A 91 -0.486 -11.631 -8.316 1.00 0.00 C ATOM 0 H ALA A 91 1.750 -10.588 -9.018 1.00 0.00 H new ATOM 0 HA ALA A 91 -0.396 -9.851 -7.111 1.00 0.00 H new ATOM 0 HB1 ALA A 91 -1.274 -12.086 -7.716 1.00 0.00 H new ATOM 0 HB2 ALA A 91 -0.930 -11.120 -9.170 1.00 0.00 H new ATOM 0 HB3 ALA A 91 0.194 -12.406 -8.670 1.00 0.00 H new ATOM 1532 N ASP A 92 0.525 -10.984 -5.073 1.00 0.00 N ATOM 1533 CA ASP A 92 1.109 -11.647 -3.872 1.00 0.00 C ATOM 1534 C ASP A 92 0.022 -12.418 -3.121 1.00 0.00 C ATOM 1535 O ASP A 92 0.291 -13.098 -2.150 1.00 0.00 O ATOM 1536 CB ASP A 92 1.713 -10.588 -2.948 1.00 0.00 C ATOM 1537 CG ASP A 92 3.066 -11.079 -2.426 1.00 0.00 C ATOM 1538 OD1 ASP A 92 3.990 -11.158 -3.218 1.00 0.00 O ATOM 1539 OD2 ASP A 92 3.154 -11.365 -1.244 1.00 0.00 O ATOM 0 H ASP A 92 -0.171 -10.264 -4.878 1.00 0.00 H new ATOM 0 HA ASP A 92 1.886 -12.342 -4.190 1.00 0.00 H new ATOM 0 HB2 ASP A 92 1.838 -9.649 -3.486 1.00 0.00 H new ATOM 0 HB3 ASP A 92 1.039 -10.390 -2.114 1.00 0.00 H new ATOM 1544 N GLY A 93 -1.205 -12.322 -3.558 1.00 0.00 N ATOM 1545 CA GLY A 93 -2.299 -13.055 -2.861 1.00 0.00 C ATOM 1546 C GLY A 93 -3.631 -12.340 -3.092 1.00 0.00 C ATOM 1547 O GLY A 93 -4.137 -12.289 -4.196 1.00 0.00 O ATOM 0 H GLY A 93 -1.496 -11.770 -4.365 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -2.356 -14.079 -3.231 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -2.087 -13.113 -1.793 1.00 0.00 H new ATOM 1551 N LEU A 94 -4.207 -11.791 -2.058 1.00 0.00 N ATOM 1552 CA LEU A 94 -5.510 -11.084 -2.216 1.00 0.00 C ATOM 1553 C LEU A 94 -5.275 -9.712 -2.846 1.00 0.00 C ATOM 1554 O LEU A 94 -6.021 -9.274 -3.701 1.00 0.00 O ATOM 1555 CB LEU A 94 -6.166 -10.912 -0.845 1.00 0.00 C ATOM 1556 CG LEU A 94 -7.328 -11.895 -0.709 1.00 0.00 C ATOM 1557 CD1 LEU A 94 -7.044 -12.869 0.436 1.00 0.00 C ATOM 1558 CD2 LEU A 94 -8.615 -11.123 -0.410 1.00 0.00 C ATOM 0 H LEU A 94 -3.832 -11.801 -1.110 1.00 0.00 H new ATOM 0 HA LEU A 94 -6.165 -11.670 -2.861 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -5.435 -11.086 -0.056 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.525 -9.890 -0.728 1.00 0.00 H new ATOM 0 HG LEU A 94 -7.442 -12.451 -1.639 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -7.874 -13.570 0.532 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -6.127 -13.419 0.227 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -6.929 -12.313 1.367 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -9.445 -11.823 -0.313 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -8.498 -10.567 0.520 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -8.820 -10.428 -1.224 1.00 0.00 H new ATOM 1570 N TYR A 95 -4.247 -9.030 -2.431 1.00 0.00 N ATOM 1571 CA TYR A 95 -3.965 -7.684 -3.006 1.00 0.00 C ATOM 1572 C TYR A 95 -2.874 -7.806 -4.069 1.00 0.00 C ATOM 1573 O TYR A 95 -1.810 -8.336 -3.822 1.00 0.00 O ATOM 1574 CB TYR A 95 -3.487 -6.744 -1.898 1.00 0.00 C ATOM 1575 CG TYR A 95 -4.650 -6.372 -1.013 1.00 0.00 C ATOM 1576 CD1 TYR A 95 -5.338 -7.366 -0.306 1.00 0.00 C ATOM 1577 CD2 TYR A 95 -5.042 -5.031 -0.898 1.00 0.00 C ATOM 1578 CE1 TYR A 95 -6.418 -7.019 0.518 1.00 0.00 C ATOM 1579 CE2 TYR A 95 -6.121 -4.685 -0.075 1.00 0.00 C ATOM 1580 CZ TYR A 95 -6.810 -5.678 0.632 1.00 0.00 C ATOM 1581 OH TYR A 95 -7.874 -5.337 1.443 1.00 0.00 O ATOM 0 H TYR A 95 -3.589 -9.345 -1.718 1.00 0.00 H new ATOM 0 HA TYR A 95 -4.874 -7.284 -3.456 1.00 0.00 H new ATOM 0 HB2 TYR A 95 -2.708 -7.227 -1.308 1.00 0.00 H new ATOM 0 HB3 TYR A 95 -3.047 -5.847 -2.333 1.00 0.00 H new ATOM 0 HD1 TYR A 95 -5.037 -8.399 -0.395 1.00 0.00 H new ATOM 0 HD2 TYR A 95 -4.512 -4.265 -1.444 1.00 0.00 H new ATOM 0 HE1 TYR A 95 -6.948 -7.785 1.065 1.00 0.00 H new ATOM 0 HE2 TYR A 95 -6.422 -3.652 0.014 1.00 0.00 H new ATOM 0 HH TYR A 95 -8.013 -4.367 1.410 1.00 0.00 H new ATOM 1591 N VAL A 96 -3.129 -7.321 -5.253 1.00 0.00 N ATOM 1592 CA VAL A 96 -2.102 -7.416 -6.328 1.00 0.00 C ATOM 1593 C VAL A 96 -1.883 -6.038 -6.956 1.00 0.00 C ATOM 1594 O VAL A 96 -2.694 -5.146 -6.813 1.00 0.00 O ATOM 1595 CB VAL A 96 -2.589 -8.392 -7.401 1.00 0.00 C ATOM 1596 CG1 VAL A 96 -1.600 -8.411 -8.569 1.00 0.00 C ATOM 1597 CG2 VAL A 96 -2.695 -9.796 -6.801 1.00 0.00 C ATOM 0 H VAL A 96 -4.001 -6.865 -5.522 1.00 0.00 H new ATOM 0 HA VAL A 96 -1.163 -7.771 -5.904 1.00 0.00 H new ATOM 0 HB VAL A 96 -3.567 -8.073 -7.762 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -1.950 -9.107 -9.331 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -1.524 -7.412 -8.998 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -0.620 -8.728 -8.211 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -3.042 -10.493 -7.564 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -1.717 -10.112 -6.439 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -3.402 -9.785 -5.972 1.00 0.00 H new ATOM 1607 N ASP A 97 -0.799 -5.863 -7.660 1.00 0.00 N ATOM 1608 CA ASP A 97 -0.537 -4.550 -8.311 1.00 0.00 C ATOM 1609 C ASP A 97 -0.961 -4.649 -9.778 1.00 0.00 C ATOM 1610 O ASP A 97 -1.005 -5.724 -10.343 1.00 0.00 O ATOM 1611 CB ASP A 97 0.956 -4.219 -8.215 1.00 0.00 C ATOM 1612 CG ASP A 97 1.275 -3.706 -6.810 1.00 0.00 C ATOM 1613 OD1 ASP A 97 0.785 -4.296 -5.860 1.00 0.00 O ATOM 1614 OD2 ASP A 97 2.002 -2.732 -6.707 1.00 0.00 O ATOM 0 H ASP A 97 -0.083 -6.573 -7.812 1.00 0.00 H new ATOM 0 HA ASP A 97 -1.101 -3.760 -7.815 1.00 0.00 H new ATOM 0 HB2 ASP A 97 1.551 -5.106 -8.434 1.00 0.00 H new ATOM 0 HB3 ASP A 97 1.221 -3.466 -8.957 1.00 0.00 H new ATOM 1619 N LEU A 98 -1.302 -3.553 -10.397 1.00 0.00 N ATOM 1620 CA LEU A 98 -1.752 -3.628 -11.815 1.00 0.00 C ATOM 1621 C LEU A 98 -1.151 -2.494 -12.644 1.00 0.00 C ATOM 1622 O LEU A 98 -1.118 -1.347 -12.232 1.00 0.00 O ATOM 1623 CB LEU A 98 -3.279 -3.531 -11.861 1.00 0.00 C ATOM 1624 CG LEU A 98 -3.849 -4.713 -12.644 1.00 0.00 C ATOM 1625 CD1 LEU A 98 -3.513 -4.550 -14.127 1.00 0.00 C ATOM 1626 CD2 LEU A 98 -3.235 -6.015 -12.121 1.00 0.00 C ATOM 0 H LEU A 98 -1.289 -2.619 -9.988 1.00 0.00 H new ATOM 0 HA LEU A 98 -1.417 -4.576 -12.235 1.00 0.00 H new ATOM 0 HB2 LEU A 98 -3.683 -3.525 -10.849 1.00 0.00 H new ATOM 0 HB3 LEU A 98 -3.579 -2.594 -12.330 1.00 0.00 H new ATOM 0 HG LEU A 98 -4.931 -4.746 -12.518 1.00 0.00 H new ATOM 0 HD11 LEU A 98 -3.919 -5.393 -14.687 1.00 0.00 H new ATOM 0 HD12 LEU A 98 -3.949 -3.623 -14.499 1.00 0.00 H new ATOM 0 HD13 LEU A 98 -2.431 -4.518 -14.254 1.00 0.00 H new ATOM 0 HD21 LEU A 98 -3.641 -6.859 -12.679 1.00 0.00 H new ATOM 0 HD22 LEU A 98 -2.153 -5.983 -12.247 1.00 0.00 H new ATOM 0 HD23 LEU A 98 -3.473 -6.131 -11.064 1.00 0.00 H new ATOM 1638 N ARG A 99 -0.693 -2.819 -13.825 1.00 0.00 N ATOM 1639 CA ARG A 99 -0.103 -1.789 -14.724 1.00 0.00 C ATOM 1640 C ARG A 99 -0.715 -1.953 -16.118 1.00 0.00 C ATOM 1641 O ARG A 99 -0.432 -2.903 -16.824 1.00 0.00 O ATOM 1642 CB ARG A 99 1.415 -1.986 -14.796 1.00 0.00 C ATOM 1643 CG ARG A 99 2.001 -1.124 -15.917 1.00 0.00 C ATOM 1644 CD ARG A 99 2.892 -1.987 -16.811 1.00 0.00 C ATOM 1645 NE ARG A 99 4.287 -1.969 -16.287 1.00 0.00 N ATOM 1646 CZ ARG A 99 4.970 -0.858 -16.291 1.00 0.00 C ATOM 1647 NH1 ARG A 99 4.692 0.078 -17.156 1.00 0.00 N ATOM 1648 NH2 ARG A 99 5.934 -0.682 -15.428 1.00 0.00 N ATOM 0 H ARG A 99 -0.704 -3.765 -14.207 1.00 0.00 H new ATOM 0 HA ARG A 99 -0.313 -0.790 -14.343 1.00 0.00 H new ATOM 0 HB2 ARG A 99 1.871 -1.717 -13.843 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.646 -3.036 -14.975 1.00 0.00 H new ATOM 0 HG2 ARG A 99 1.199 -0.679 -16.506 1.00 0.00 H new ATOM 0 HG3 ARG A 99 2.579 -0.302 -15.494 1.00 0.00 H new ATOM 0 HD2 ARG A 99 2.516 -3.010 -16.839 1.00 0.00 H new ATOM 0 HD3 ARG A 99 2.872 -1.612 -17.834 1.00 0.00 H new ATOM 0 HE ARG A 99 4.707 -2.825 -15.925 1.00 0.00 H new ATOM 0 HH11 ARG A 99 3.939 -0.058 -17.831 1.00 0.00 H new ATOM 0 HH12 ARG A 99 5.227 0.946 -17.158 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.152 -1.413 -14.751 1.00 0.00 H new ATOM 0 HH22 ARG A 99 6.469 0.187 -15.431 1.00 0.00 H new ATOM 1662 N ARG A 100 -1.559 -1.041 -16.518 1.00 0.00 N ATOM 1663 CA ARG A 100 -2.191 -1.154 -17.863 1.00 0.00 C ATOM 1664 C ARG A 100 -1.146 -0.863 -18.942 1.00 0.00 C ATOM 1665 O ARG A 100 -0.054 -0.414 -18.657 1.00 0.00 O ATOM 1666 CB ARG A 100 -3.339 -0.150 -17.976 1.00 0.00 C ATOM 1667 CG ARG A 100 -2.815 1.263 -17.710 1.00 0.00 C ATOM 1668 CD ARG A 100 -3.435 2.235 -18.717 1.00 0.00 C ATOM 1669 NE ARG A 100 -4.611 2.908 -18.099 1.00 0.00 N ATOM 1670 CZ ARG A 100 -5.127 3.966 -18.662 1.00 0.00 C ATOM 1671 NH1 ARG A 100 -5.818 3.848 -19.762 1.00 0.00 N ATOM 1672 NH2 ARG A 100 -4.954 5.142 -18.124 1.00 0.00 N ATOM 0 H ARG A 100 -1.837 -0.225 -15.973 1.00 0.00 H new ATOM 0 HA ARG A 100 -2.581 -2.163 -17.998 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -3.784 -0.202 -18.969 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -4.124 -0.398 -17.261 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -3.062 1.569 -16.693 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -1.728 1.281 -17.793 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -2.698 2.977 -19.024 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -3.740 1.699 -19.616 1.00 0.00 H new ATOM 0 HE ARG A 100 -5.013 2.542 -17.236 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -5.955 2.929 -20.182 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -6.221 4.675 -20.202 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -4.415 5.235 -17.263 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -5.358 5.969 -18.565 1.00 0.00 H new ATOM 1686 N PHE A 101 -1.471 -1.116 -20.180 1.00 0.00 N ATOM 1687 CA PHE A 101 -0.494 -0.855 -21.274 1.00 0.00 C ATOM 1688 C PHE A 101 -1.238 -0.403 -22.532 1.00 0.00 C ATOM 1689 O PHE A 101 -1.762 -1.208 -23.277 1.00 0.00 O ATOM 1690 CB PHE A 101 0.286 -2.137 -21.577 1.00 0.00 C ATOM 1691 CG PHE A 101 1.393 -1.832 -22.556 1.00 0.00 C ATOM 1692 CD1 PHE A 101 1.095 -1.647 -23.913 1.00 0.00 C ATOM 1693 CD2 PHE A 101 2.717 -1.733 -22.110 1.00 0.00 C ATOM 1694 CE1 PHE A 101 2.122 -1.363 -24.823 1.00 0.00 C ATOM 1695 CE2 PHE A 101 3.744 -1.449 -23.020 1.00 0.00 C ATOM 1696 CZ PHE A 101 3.446 -1.264 -24.377 1.00 0.00 C ATOM 0 H PHE A 101 -2.370 -1.492 -20.481 1.00 0.00 H new ATOM 0 HA PHE A 101 0.197 -0.072 -20.962 1.00 0.00 H new ATOM 0 HB2 PHE A 101 0.702 -2.548 -20.657 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -0.382 -2.893 -21.990 1.00 0.00 H new ATOM 0 HD1 PHE A 101 0.074 -1.723 -24.257 1.00 0.00 H new ATOM 0 HD2 PHE A 101 2.946 -1.876 -21.064 1.00 0.00 H new ATOM 0 HE1 PHE A 101 1.893 -1.220 -25.869 1.00 0.00 H new ATOM 0 HE2 PHE A 101 4.765 -1.373 -22.676 1.00 0.00 H new ATOM 0 HZ PHE A 101 4.237 -1.045 -25.079 1.00 0.00 H new ATOM 1706 N PHE A 102 -1.286 0.878 -22.777 1.00 0.00 N ATOM 1707 CA PHE A 102 -1.994 1.379 -23.988 1.00 0.00 C ATOM 1708 C PHE A 102 -3.347 0.678 -24.119 1.00 0.00 C ATOM 1709 O PHE A 102 -3.749 0.024 -23.171 1.00 0.00 O ATOM 1710 CB PHE A 102 -1.147 1.088 -25.228 1.00 0.00 C ATOM 1711 CG PHE A 102 -0.272 2.278 -25.533 1.00 0.00 C ATOM 1712 CD1 PHE A 102 -0.762 3.323 -26.329 1.00 0.00 C ATOM 1713 CD2 PHE A 102 1.031 2.341 -25.020 1.00 0.00 C ATOM 1714 CE1 PHE A 102 0.050 4.427 -26.613 1.00 0.00 C ATOM 1715 CE2 PHE A 102 1.843 3.447 -25.305 1.00 0.00 C ATOM 1716 CZ PHE A 102 1.352 4.490 -26.101 1.00 0.00 C ATOM 1717 OXT PHE A 102 -3.960 0.807 -25.166 1.00 0.00 O ATOM 0 H PHE A 102 -0.865 1.599 -22.191 1.00 0.00 H new ATOM 0 HA PHE A 102 -2.152 2.454 -23.897 1.00 0.00 H new ATOM 0 HB2 PHE A 102 -0.531 0.204 -25.061 1.00 0.00 H new ATOM 0 HB3 PHE A 102 -1.792 0.871 -26.079 1.00 0.00 H new ATOM 0 HD1 PHE A 102 -1.766 3.276 -26.723 1.00 0.00 H new ATOM 0 HD2 PHE A 102 1.409 1.537 -24.405 1.00 0.00 H new ATOM 0 HE1 PHE A 102 -0.328 5.231 -27.227 1.00 0.00 H new ATOM 0 HE2 PHE A 102 2.847 3.495 -24.911 1.00 0.00 H new ATOM 0 HZ PHE A 102 1.978 5.343 -26.320 1.00 0.00 H new TER 1727 PHE A 102