USER MOD reduce.3.24.130724 H: found=0, std=0, add=727, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 726 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 LEU N :NH3+ -106:sc= -3.99! (180deg=-7.66!) USER MOD Single : A 2 LYS NZ :NH3+ -158:sc= -0.0093 (180deg=-0.148) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 THR OG1 : rot 70:sc= -2.01! USER MOD Single : A 9 SER OG : rot -29:sc= 1.74 USER MOD Single : A 11 LYS NZ :NH3+ -152:sc= 0.108 (180deg=0.00195) USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 28:sc= 0.00526 USER MOD Single : A 20 HIS : no HD1:sc= -14.6! C(o=-15!,f=-18!) USER MOD Single : A 21 ASN : amide:sc= -0.0224 X(o=-0.022,f=-0.0048) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 THR OG1 : rot 82:sc= 0.773 USER MOD Single : A 41 SER OG : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 55 SER OG : rot 180:sc= 0.048 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 171:sc= -4.22! USER MOD Single : A 58 THR OG1 : rot 178:sc= -4.37! USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ -168:sc= 0 (180deg=-0.0836) USER MOD Single : A 70 SER OG : rot 180:sc= -0.0087 USER MOD Single : A 72 ASN : amide:sc= -1.4 X(o=-1.4,f=-1.1) USER MOD Single : A 73 TYR OH : rot 30:sc= 0 USER MOD Single : A 74 LYS NZ :NH3+ 167:sc= 0 (180deg=-0.248) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0806) USER MOD Single : A 79 ASN : amide:sc= -5.92! C(o=-5.9!,f=-17!) USER MOD Single : A 93 GLN : amide:sc= -0.0233 K(o=-0.023,f=-0.77) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 20.197 3.169 1.708 1.00 0.00 N ATOM 2 CA LEU A 1 20.481 1.780 2.167 1.00 0.00 C ATOM 3 C LEU A 1 19.174 0.990 2.270 1.00 0.00 C ATOM 4 O LEU A 1 18.143 1.425 1.795 1.00 0.00 O ATOM 5 CB LEU A 1 21.214 1.815 3.522 1.00 0.00 C ATOM 6 CG LEU A 1 20.279 2.218 4.678 1.00 0.00 C ATOM 7 CD1 LEU A 1 19.230 3.233 4.214 1.00 0.00 C ATOM 8 CD2 LEU A 1 19.582 0.972 5.229 1.00 0.00 C ATOM 0 H1 LEU A 1 20.491 3.274 0.716 1.00 0.00 H new ATOM 0 H2 LEU A 1 19.178 3.360 1.789 1.00 0.00 H new ATOM 0 H3 LEU A 1 20.724 3.844 2.298 1.00 0.00 H new ATOM 0 HA LEU A 1 21.126 1.282 1.443 1.00 0.00 H new ATOM 0 HB2 LEU A 1 21.641 0.834 3.728 1.00 0.00 H new ATOM 0 HB3 LEU A 1 22.044 2.519 3.466 1.00 0.00 H new ATOM 0 HG LEU A 1 20.880 2.683 5.459 1.00 0.00 H new ATOM 0 HD11 LEU A 1 18.585 3.498 5.052 1.00 0.00 H new ATOM 0 HD12 LEU A 1 19.729 4.128 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 1 18.628 2.796 3.417 1.00 0.00 H new ATOM 0 HD21 LEU A 1 18.920 1.257 6.047 1.00 0.00 H new ATOM 0 HD22 LEU A 1 18.999 0.501 4.438 1.00 0.00 H new ATOM 0 HD23 LEU A 1 20.330 0.269 5.595 1.00 0.00 H new ATOM 22 N LYS A 2 19.220 -0.172 2.867 1.00 0.00 N ATOM 23 CA LYS A 2 17.992 -1.018 2.996 1.00 0.00 C ATOM 24 C LYS A 2 16.752 -0.138 3.196 1.00 0.00 C ATOM 25 O LYS A 2 16.852 0.966 3.690 1.00 0.00 O ATOM 26 CB LYS A 2 18.145 -1.953 4.198 1.00 0.00 C ATOM 27 CG LYS A 2 19.426 -2.774 4.048 1.00 0.00 C ATOM 28 CD LYS A 2 19.258 -4.118 4.761 1.00 0.00 C ATOM 29 CE LYS A 2 20.305 -4.244 5.868 1.00 0.00 C ATOM 30 NZ LYS A 2 21.660 -4.353 5.259 1.00 0.00 N ATOM 0 H LYS A 2 20.063 -0.576 3.275 1.00 0.00 H new ATOM 0 HA LYS A 2 17.869 -1.600 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 2 18.178 -1.374 5.121 1.00 0.00 H new ATOM 0 HB3 LYS A 2 17.282 -2.616 4.269 1.00 0.00 H new ATOM 0 HG2 LYS A 2 19.646 -2.935 2.993 1.00 0.00 H new ATOM 0 HG3 LYS A 2 20.271 -2.230 4.470 1.00 0.00 H new ATOM 0 HD2 LYS A 2 18.256 -4.195 5.183 1.00 0.00 H new ATOM 0 HD3 LYS A 2 19.367 -4.936 4.048 1.00 0.00 H new ATOM 0 HE2 LYS A 2 20.259 -3.377 6.527 1.00 0.00 H new ATOM 0 HE3 LYS A 2 20.098 -5.121 6.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 22.310 -4.800 5.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 21.607 -4.932 4.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 22.010 -3.404 5.018 1.00 0.00 H new ATOM 44 N PRO A 3 15.635 -0.618 2.711 1.00 0.00 N ATOM 45 CA PRO A 3 14.338 0.064 2.871 1.00 0.00 C ATOM 46 C PRO A 3 13.772 -0.180 4.272 1.00 0.00 C ATOM 47 O PRO A 3 13.330 -1.266 4.592 1.00 0.00 O ATOM 48 CB PRO A 3 13.455 -0.591 1.806 1.00 0.00 C ATOM 49 CG PRO A 3 14.093 -1.966 1.494 1.00 0.00 C ATOM 50 CD PRO A 3 15.560 -1.886 1.956 1.00 0.00 C ATOM 0 HA PRO A 3 14.407 1.146 2.757 1.00 0.00 H new ATOM 0 HB2 PRO A 3 12.434 -0.710 2.168 1.00 0.00 H new ATOM 0 HB3 PRO A 3 13.405 0.027 0.909 1.00 0.00 H new ATOM 0 HG2 PRO A 3 13.566 -2.765 2.015 1.00 0.00 H new ATOM 0 HG3 PRO A 3 14.034 -2.188 0.428 1.00 0.00 H new ATOM 0 HD2 PRO A 3 15.827 -2.738 2.581 1.00 0.00 H new ATOM 0 HD3 PRO A 3 16.245 -1.885 1.108 1.00 0.00 H new ATOM 58 N LYS A 4 13.774 0.821 5.108 1.00 0.00 N ATOM 59 CA LYS A 4 13.228 0.644 6.479 1.00 0.00 C ATOM 60 C LYS A 4 11.740 0.986 6.465 1.00 0.00 C ATOM 61 O LYS A 4 11.339 2.061 6.865 1.00 0.00 O ATOM 62 CB LYS A 4 13.958 1.579 7.446 1.00 0.00 C ATOM 63 CG LYS A 4 14.492 0.774 8.632 1.00 0.00 C ATOM 64 CD LYS A 4 14.570 1.674 9.867 1.00 0.00 C ATOM 65 CE LYS A 4 16.029 1.825 10.300 1.00 0.00 C ATOM 66 NZ LYS A 4 16.084 2.188 11.745 1.00 0.00 N ATOM 0 H LYS A 4 14.131 1.754 4.899 1.00 0.00 H new ATOM 0 HA LYS A 4 13.369 -0.387 6.803 1.00 0.00 H new ATOM 0 HB2 LYS A 4 14.780 2.079 6.934 1.00 0.00 H new ATOM 0 HB3 LYS A 4 13.280 2.357 7.797 1.00 0.00 H new ATOM 0 HG2 LYS A 4 13.841 -0.077 8.830 1.00 0.00 H new ATOM 0 HG3 LYS A 4 15.478 0.373 8.398 1.00 0.00 H new ATOM 0 HD2 LYS A 4 14.143 2.652 9.644 1.00 0.00 H new ATOM 0 HD3 LYS A 4 13.981 1.247 10.679 1.00 0.00 H new ATOM 0 HE2 LYS A 4 16.569 0.894 10.127 1.00 0.00 H new ATOM 0 HE3 LYS A 4 16.519 2.593 9.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 17.076 2.291 12.040 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 15.583 3.087 11.896 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 15.631 1.440 12.308 1.00 0.00 H new ATOM 80 N ILE A 5 10.922 0.081 5.996 1.00 0.00 N ATOM 81 CA ILE A 5 9.457 0.347 5.945 1.00 0.00 C ATOM 82 C ILE A 5 8.879 0.264 7.361 1.00 0.00 C ATOM 83 O ILE A 5 8.882 -0.777 7.987 1.00 0.00 O ATOM 84 CB ILE A 5 8.789 -0.680 5.017 1.00 0.00 C ATOM 85 CG1 ILE A 5 7.453 -0.125 4.521 1.00 0.00 C ATOM 86 CG2 ILE A 5 8.551 -1.995 5.763 1.00 0.00 C ATOM 87 CD1 ILE A 5 7.413 -0.177 2.992 1.00 0.00 C ATOM 0 H ILE A 5 11.208 -0.833 5.645 1.00 0.00 H new ATOM 0 HA ILE A 5 9.267 1.346 5.552 1.00 0.00 H new ATOM 0 HB ILE A 5 9.447 -0.870 4.169 1.00 0.00 H new ATOM 0 HG12 ILE A 5 6.629 -0.706 4.937 1.00 0.00 H new ATOM 0 HG13 ILE A 5 7.324 0.902 4.864 1.00 0.00 H new ATOM 0 HG21 ILE A 5 8.077 -2.713 5.093 1.00 0.00 H new ATOM 0 HG22 ILE A 5 9.504 -2.395 6.108 1.00 0.00 H new ATOM 0 HG23 ILE A 5 7.902 -1.815 6.620 1.00 0.00 H new ATOM 0 HD11 ILE A 5 6.461 0.219 2.639 1.00 0.00 H new ATOM 0 HD12 ILE A 5 8.228 0.423 2.586 1.00 0.00 H new ATOM 0 HD13 ILE A 5 7.522 -1.209 2.660 1.00 0.00 H new ATOM 99 N LEU A 6 8.397 1.364 7.878 1.00 0.00 N ATOM 100 CA LEU A 6 7.836 1.355 9.259 1.00 0.00 C ATOM 101 C LEU A 6 6.316 1.531 9.213 1.00 0.00 C ATOM 102 O LEU A 6 5.655 1.471 10.230 1.00 0.00 O ATOM 103 CB LEU A 6 8.455 2.498 10.067 1.00 0.00 C ATOM 104 CG LEU A 6 9.730 2.007 10.755 1.00 0.00 C ATOM 105 CD1 LEU A 6 10.930 2.243 9.837 1.00 0.00 C ATOM 106 CD2 LEU A 6 9.931 2.776 12.063 1.00 0.00 C ATOM 0 H LEU A 6 8.368 2.266 7.403 1.00 0.00 H new ATOM 0 HA LEU A 6 8.069 0.400 9.730 1.00 0.00 H new ATOM 0 HB2 LEU A 6 8.684 3.338 9.411 1.00 0.00 H new ATOM 0 HB3 LEU A 6 7.744 2.858 10.810 1.00 0.00 H new ATOM 0 HG LEU A 6 9.640 0.942 10.968 1.00 0.00 H new ATOM 0 HD11 LEU A 6 11.838 1.893 10.328 1.00 0.00 H new ATOM 0 HD12 LEU A 6 10.788 1.697 8.905 1.00 0.00 H new ATOM 0 HD13 LEU A 6 11.021 3.308 9.623 1.00 0.00 H new ATOM 0 HD21 LEU A 6 10.839 2.427 12.554 1.00 0.00 H new ATOM 0 HD22 LEU A 6 10.021 3.841 11.849 1.00 0.00 H new ATOM 0 HD23 LEU A 6 9.077 2.608 12.719 1.00 0.00 H new ATOM 118 N THR A 7 5.758 1.752 8.047 1.00 0.00 N ATOM 119 CA THR A 7 4.277 1.932 7.945 1.00 0.00 C ATOM 120 C THR A 7 3.567 0.980 8.913 1.00 0.00 C ATOM 121 O THR A 7 3.931 -0.172 9.045 1.00 0.00 O ATOM 122 CB THR A 7 3.822 1.624 6.518 1.00 0.00 C ATOM 123 OG1 THR A 7 2.469 1.190 6.540 1.00 0.00 O ATOM 124 CG2 THR A 7 4.703 0.523 5.928 1.00 0.00 C ATOM 0 H THR A 7 6.264 1.815 7.164 1.00 0.00 H new ATOM 0 HA THR A 7 4.026 2.962 8.200 1.00 0.00 H new ATOM 0 HB THR A 7 3.907 2.521 5.905 1.00 0.00 H new ATOM 0 HG1 THR A 7 1.887 1.945 6.768 1.00 0.00 H new ATOM 0 HG21 THR A 7 4.379 0.303 4.911 1.00 0.00 H new ATOM 0 HG22 THR A 7 5.741 0.856 5.914 1.00 0.00 H new ATOM 0 HG23 THR A 7 4.619 -0.376 6.538 1.00 0.00 H new ATOM 132 N ALA A 8 2.560 1.455 9.594 1.00 0.00 N ATOM 133 CA ALA A 8 1.830 0.579 10.556 1.00 0.00 C ATOM 134 C ALA A 8 1.414 -0.710 9.859 1.00 0.00 C ATOM 135 O ALA A 8 1.548 -1.793 10.392 1.00 0.00 O ATOM 136 CB ALA A 8 0.587 1.308 11.070 1.00 0.00 C ATOM 0 H ALA A 8 2.211 2.411 9.526 1.00 0.00 H new ATOM 0 HA ALA A 8 2.483 0.341 11.396 1.00 0.00 H new ATOM 0 HB1 ALA A 8 0.054 0.667 11.773 1.00 0.00 H new ATOM 0 HB2 ALA A 8 0.886 2.228 11.572 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -0.066 1.549 10.231 1.00 0.00 H new ATOM 142 N SER A 9 0.915 -0.594 8.671 1.00 0.00 N ATOM 143 CA SER A 9 0.482 -1.800 7.910 1.00 0.00 C ATOM 144 C SER A 9 -0.419 -2.673 8.789 1.00 0.00 C ATOM 145 O SER A 9 0.045 -3.396 9.649 1.00 0.00 O ATOM 146 CB SER A 9 1.713 -2.600 7.482 1.00 0.00 C ATOM 147 OG SER A 9 2.055 -3.527 8.504 1.00 0.00 O ATOM 0 H SER A 9 0.784 0.292 8.183 1.00 0.00 H new ATOM 0 HA SER A 9 -0.075 -1.488 7.026 1.00 0.00 H new ATOM 0 HB2 SER A 9 1.511 -3.128 6.550 1.00 0.00 H new ATOM 0 HB3 SER A 9 2.549 -1.927 7.292 1.00 0.00 H new ATOM 0 HG SER A 9 1.783 -3.169 9.375 1.00 0.00 H new ATOM 153 N ARG A 10 -1.705 -2.617 8.579 1.00 0.00 N ATOM 154 CA ARG A 10 -2.630 -3.448 9.400 1.00 0.00 C ATOM 155 C ARG A 10 -3.942 -3.649 8.644 1.00 0.00 C ATOM 156 O ARG A 10 -4.174 -4.678 8.042 1.00 0.00 O ATOM 157 CB ARG A 10 -2.892 -2.753 10.740 1.00 0.00 C ATOM 158 CG ARG A 10 -3.676 -3.694 11.656 1.00 0.00 C ATOM 159 CD ARG A 10 -2.701 -4.585 12.429 1.00 0.00 C ATOM 160 NE ARG A 10 -2.596 -4.105 13.835 1.00 0.00 N ATOM 161 CZ ARG A 10 -1.712 -4.630 14.639 1.00 0.00 C ATOM 162 NH1 ARG A 10 -0.450 -4.326 14.508 1.00 0.00 N ATOM 163 NH2 ARG A 10 -2.090 -5.460 15.573 1.00 0.00 N ATOM 0 H ARG A 10 -2.155 -2.032 7.875 1.00 0.00 H new ATOM 0 HA ARG A 10 -2.177 -4.421 9.590 1.00 0.00 H new ATOM 0 HB2 ARG A 10 -1.948 -2.475 11.208 1.00 0.00 H new ATOM 0 HB3 ARG A 10 -3.453 -1.832 10.581 1.00 0.00 H new ATOM 0 HG2 ARG A 10 -4.287 -3.117 12.351 1.00 0.00 H new ATOM 0 HG3 ARG A 10 -4.357 -4.308 11.067 1.00 0.00 H new ATOM 0 HD2 ARG A 10 -3.045 -5.619 12.411 1.00 0.00 H new ATOM 0 HD3 ARG A 10 -1.720 -4.567 11.953 1.00 0.00 H new ATOM 0 HE ARG A 10 -3.215 -3.366 14.169 1.00 0.00 H new ATOM 0 HH11 ARG A 10 -0.155 -3.678 13.778 1.00 0.00 H new ATOM 0 HH12 ARG A 10 0.241 -4.736 15.136 1.00 0.00 H new ATOM 0 HH21 ARG A 10 -3.077 -5.698 15.675 1.00 0.00 H new ATOM 0 HH22 ARG A 10 -1.399 -5.870 16.201 1.00 0.00 H new ATOM 177 N LYS A 11 -4.793 -2.672 8.665 1.00 0.00 N ATOM 178 CA LYS A 11 -6.091 -2.792 7.940 1.00 0.00 C ATOM 179 C LYS A 11 -6.507 -1.419 7.414 1.00 0.00 C ATOM 180 O LYS A 11 -5.801 -0.442 7.570 1.00 0.00 O ATOM 181 CB LYS A 11 -7.175 -3.316 8.885 1.00 0.00 C ATOM 182 CG LYS A 11 -6.646 -4.523 9.660 1.00 0.00 C ATOM 183 CD LYS A 11 -7.819 -5.399 10.105 1.00 0.00 C ATOM 184 CE LYS A 11 -7.827 -6.695 9.292 1.00 0.00 C ATOM 185 NZ LYS A 11 -7.377 -7.824 10.153 1.00 0.00 N ATOM 0 H LYS A 11 -4.650 -1.788 9.154 1.00 0.00 H new ATOM 0 HA LYS A 11 -5.970 -3.488 7.110 1.00 0.00 H new ATOM 0 HB2 LYS A 11 -7.477 -2.531 9.578 1.00 0.00 H new ATOM 0 HB3 LYS A 11 -8.061 -3.597 8.316 1.00 0.00 H new ATOM 0 HG2 LYS A 11 -5.965 -5.100 9.035 1.00 0.00 H new ATOM 0 HG3 LYS A 11 -6.077 -4.190 10.528 1.00 0.00 H new ATOM 0 HD2 LYS A 11 -7.735 -5.625 11.168 1.00 0.00 H new ATOM 0 HD3 LYS A 11 -8.759 -4.865 9.966 1.00 0.00 H new ATOM 0 HE2 LYS A 11 -8.829 -6.891 8.911 1.00 0.00 H new ATOM 0 HE3 LYS A 11 -7.170 -6.599 8.428 1.00 0.00 H new ATOM 0 HZ1 LYS A 11 -6.934 -8.556 9.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 11 -6.687 -7.476 10.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 11 -8.196 -8.229 10.650 1.00 0.00 H new ATOM 199 N ILE A 12 -7.650 -1.339 6.793 1.00 0.00 N ATOM 200 CA ILE A 12 -8.120 -0.034 6.256 1.00 0.00 C ATOM 201 C ILE A 12 -9.647 -0.046 6.180 1.00 0.00 C ATOM 202 O ILE A 12 -10.227 -0.428 5.182 1.00 0.00 O ATOM 203 CB ILE A 12 -7.534 0.182 4.859 1.00 0.00 C ATOM 204 CG1 ILE A 12 -6.019 0.368 4.964 1.00 0.00 C ATOM 205 CG2 ILE A 12 -8.147 1.435 4.235 1.00 0.00 C ATOM 206 CD1 ILE A 12 -5.719 1.655 5.735 1.00 0.00 C ATOM 0 H ILE A 12 -8.281 -2.125 6.634 1.00 0.00 H new ATOM 0 HA ILE A 12 -7.794 0.775 6.910 1.00 0.00 H new ATOM 0 HB ILE A 12 -7.757 -0.685 4.238 1.00 0.00 H new ATOM 0 HG12 ILE A 12 -5.571 -0.486 5.471 1.00 0.00 H new ATOM 0 HG13 ILE A 12 -5.577 0.415 3.969 1.00 0.00 H new ATOM 0 HG21 ILE A 12 -7.729 1.588 3.240 1.00 0.00 H new ATOM 0 HG22 ILE A 12 -9.227 1.313 4.160 1.00 0.00 H new ATOM 0 HG23 ILE A 12 -7.923 2.300 4.860 1.00 0.00 H new ATOM 0 HD11 ILE A 12 -4.640 1.790 5.811 1.00 0.00 H new ATOM 0 HD12 ILE A 12 -6.155 2.504 5.209 1.00 0.00 H new ATOM 0 HD13 ILE A 12 -6.148 1.589 6.735 1.00 0.00 H new ATOM 218 N LYS A 13 -10.303 0.362 7.232 1.00 0.00 N ATOM 219 CA LYS A 13 -11.792 0.370 7.227 1.00 0.00 C ATOM 220 C LYS A 13 -12.296 1.535 6.375 1.00 0.00 C ATOM 221 O LYS A 13 -12.599 2.599 6.877 1.00 0.00 O ATOM 222 CB LYS A 13 -12.306 0.526 8.660 1.00 0.00 C ATOM 223 CG LYS A 13 -12.439 -0.853 9.307 1.00 0.00 C ATOM 224 CD LYS A 13 -13.833 -0.997 9.921 1.00 0.00 C ATOM 225 CE LYS A 13 -14.490 -2.277 9.402 1.00 0.00 C ATOM 226 NZ LYS A 13 -14.715 -3.216 10.537 1.00 0.00 N ATOM 0 H LYS A 13 -9.871 0.690 8.095 1.00 0.00 H new ATOM 0 HA LYS A 13 -12.157 -0.568 6.809 1.00 0.00 H new ATOM 0 HB2 LYS A 13 -11.621 1.146 9.238 1.00 0.00 H new ATOM 0 HB3 LYS A 13 -13.271 1.033 8.658 1.00 0.00 H new ATOM 0 HG2 LYS A 13 -12.276 -1.633 8.563 1.00 0.00 H new ATOM 0 HG3 LYS A 13 -11.677 -0.981 10.075 1.00 0.00 H new ATOM 0 HD2 LYS A 13 -13.762 -1.027 11.008 1.00 0.00 H new ATOM 0 HD3 LYS A 13 -14.445 -0.132 9.666 1.00 0.00 H new ATOM 0 HE2 LYS A 13 -15.438 -2.041 8.918 1.00 0.00 H new ATOM 0 HE3 LYS A 13 -13.855 -2.745 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 -15.162 -4.086 10.184 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 -13.804 -3.450 10.980 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 -15.337 -2.768 11.240 1.00 0.00 H new ATOM 240 N ILE A 14 -12.393 1.342 5.089 1.00 0.00 N ATOM 241 CA ILE A 14 -12.883 2.436 4.206 1.00 0.00 C ATOM 242 C ILE A 14 -14.402 2.317 4.057 1.00 0.00 C ATOM 243 O ILE A 14 -14.969 1.257 4.225 1.00 0.00 O ATOM 244 CB ILE A 14 -12.220 2.314 2.829 1.00 0.00 C ATOM 245 CG1 ILE A 14 -10.739 1.964 3.002 1.00 0.00 C ATOM 246 CG2 ILE A 14 -12.351 3.637 2.072 1.00 0.00 C ATOM 247 CD1 ILE A 14 -9.997 2.181 1.680 1.00 0.00 C ATOM 0 H ILE A 14 -12.154 0.473 4.611 1.00 0.00 H new ATOM 0 HA ILE A 14 -12.633 3.403 4.642 1.00 0.00 H new ATOM 0 HB ILE A 14 -12.714 1.526 2.261 1.00 0.00 H new ATOM 0 HG12 ILE A 14 -10.298 2.584 3.783 1.00 0.00 H new ATOM 0 HG13 ILE A 14 -10.636 0.927 3.322 1.00 0.00 H new ATOM 0 HG21 ILE A 14 -11.878 3.545 1.094 1.00 0.00 H new ATOM 0 HG22 ILE A 14 -13.406 3.880 1.944 1.00 0.00 H new ATOM 0 HG23 ILE A 14 -11.862 4.430 2.638 1.00 0.00 H new ATOM 0 HD11 ILE A 14 -8.944 1.931 1.808 1.00 0.00 H new ATOM 0 HD12 ILE A 14 -10.431 1.542 0.910 1.00 0.00 H new ATOM 0 HD13 ILE A 14 -10.088 3.225 1.379 1.00 0.00 H new ATOM 259 N LYS A 15 -15.070 3.391 3.742 1.00 0.00 N ATOM 260 CA LYS A 15 -16.548 3.320 3.580 1.00 0.00 C ATOM 261 C LYS A 15 -16.873 3.103 2.099 1.00 0.00 C ATOM 262 O LYS A 15 -16.051 3.338 1.236 1.00 0.00 O ATOM 263 CB LYS A 15 -17.180 4.626 4.065 1.00 0.00 C ATOM 264 CG LYS A 15 -18.040 4.352 5.300 1.00 0.00 C ATOM 265 CD LYS A 15 -19.506 4.219 4.881 1.00 0.00 C ATOM 266 CE LYS A 15 -20.367 5.152 5.735 1.00 0.00 C ATOM 267 NZ LYS A 15 -21.802 4.974 5.373 1.00 0.00 N ATOM 0 H LYS A 15 -14.658 4.312 3.590 1.00 0.00 H new ATOM 0 HA LYS A 15 -16.948 2.494 4.168 1.00 0.00 H new ATOM 0 HB2 LYS A 15 -16.402 5.351 4.305 1.00 0.00 H new ATOM 0 HB3 LYS A 15 -17.790 5.062 3.274 1.00 0.00 H new ATOM 0 HG2 LYS A 15 -17.707 3.439 5.793 1.00 0.00 H new ATOM 0 HG3 LYS A 15 -17.929 5.162 6.021 1.00 0.00 H new ATOM 0 HD2 LYS A 15 -19.618 4.468 3.826 1.00 0.00 H new ATOM 0 HD3 LYS A 15 -19.838 3.188 5.002 1.00 0.00 H new ATOM 0 HE2 LYS A 15 -20.218 4.935 6.793 1.00 0.00 H new ATOM 0 HE3 LYS A 15 -20.067 6.188 5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 15 -22.388 5.608 5.953 1.00 0.00 H new ATOM 0 HZ2 LYS A 15 -21.937 5.202 4.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 15 -22.084 3.988 5.546 1.00 0.00 H new ATOM 281 N ALA A 16 -18.058 2.650 1.794 1.00 0.00 N ATOM 282 CA ALA A 16 -18.416 2.415 0.366 1.00 0.00 C ATOM 283 C ALA A 16 -18.551 3.760 -0.359 1.00 0.00 C ATOM 284 O ALA A 16 -18.907 4.756 0.233 1.00 0.00 O ATOM 285 CB ALA A 16 -19.743 1.659 0.290 1.00 0.00 C ATOM 0 H ALA A 16 -18.792 2.433 2.469 1.00 0.00 H new ATOM 0 HA ALA A 16 -17.633 1.824 -0.110 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -20.005 1.487 -0.754 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -19.646 0.702 0.802 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -20.525 2.248 0.768 1.00 0.00 H new ATOM 291 N GLY A 17 -18.270 3.793 -1.636 1.00 0.00 N ATOM 292 CA GLY A 17 -18.380 5.070 -2.400 1.00 0.00 C ATOM 293 C GLY A 17 -17.708 6.194 -1.612 1.00 0.00 C ATOM 294 O GLY A 17 -18.091 7.344 -1.703 1.00 0.00 O ATOM 0 H GLY A 17 -17.968 2.987 -2.184 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -17.908 4.964 -3.377 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -19.428 5.311 -2.577 1.00 0.00 H new ATOM 298 N PHE A 18 -16.718 5.871 -0.824 1.00 0.00 N ATOM 299 CA PHE A 18 -16.034 6.926 -0.014 1.00 0.00 C ATOM 300 C PHE A 18 -14.612 7.159 -0.525 1.00 0.00 C ATOM 301 O PHE A 18 -14.189 6.595 -1.516 1.00 0.00 O ATOM 302 CB PHE A 18 -15.969 6.491 1.450 1.00 0.00 C ATOM 303 CG PHE A 18 -17.193 6.990 2.173 1.00 0.00 C ATOM 304 CD1 PHE A 18 -18.413 7.055 1.500 1.00 0.00 C ATOM 305 CD2 PHE A 18 -17.109 7.381 3.514 1.00 0.00 C ATOM 306 CE1 PHE A 18 -19.557 7.512 2.165 1.00 0.00 C ATOM 307 CE2 PHE A 18 -18.251 7.838 4.181 1.00 0.00 C ATOM 308 CZ PHE A 18 -19.476 7.904 3.507 1.00 0.00 C ATOM 0 H PHE A 18 -16.353 4.926 -0.705 1.00 0.00 H new ATOM 0 HA PHE A 18 -16.603 7.851 -0.104 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.911 5.405 1.516 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.069 6.887 1.919 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -18.475 6.753 0.465 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -16.164 7.330 4.034 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -20.501 7.562 1.643 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -18.187 8.140 5.216 1.00 0.00 H new ATOM 0 HZ PHE A 18 -20.358 8.257 4.021 1.00 0.00 H new ATOM 318 N THR A 19 -13.875 7.998 0.156 1.00 0.00 N ATOM 319 CA THR A 19 -12.480 8.292 -0.269 1.00 0.00 C ATOM 320 C THR A 19 -11.508 7.962 0.867 1.00 0.00 C ATOM 321 O THR A 19 -11.706 8.352 2.001 1.00 0.00 O ATOM 322 CB THR A 19 -12.363 9.776 -0.621 1.00 0.00 C ATOM 323 OG1 THR A 19 -12.652 10.558 0.530 1.00 0.00 O ATOM 324 CG2 THR A 19 -13.356 10.114 -1.733 1.00 0.00 C ATOM 0 H THR A 19 -14.184 8.493 0.992 1.00 0.00 H new ATOM 0 HA THR A 19 -12.233 7.684 -1.139 1.00 0.00 H new ATOM 0 HB THR A 19 -11.350 9.993 -0.962 1.00 0.00 H new ATOM 0 HG1 THR A 19 -12.423 10.050 1.336 1.00 0.00 H new ATOM 0 HG21 THR A 19 -13.274 11.171 -1.985 1.00 0.00 H new ATOM 0 HG22 THR A 19 -13.134 9.512 -2.614 1.00 0.00 H new ATOM 0 HG23 THR A 19 -14.369 9.900 -1.393 1.00 0.00 H new ATOM 332 N HIS A 20 -10.457 7.249 0.567 1.00 0.00 N ATOM 333 CA HIS A 20 -9.463 6.891 1.623 1.00 0.00 C ATOM 334 C HIS A 20 -8.103 7.489 1.260 1.00 0.00 C ATOM 335 O HIS A 20 -7.831 7.787 0.114 1.00 0.00 O ATOM 336 CB HIS A 20 -9.326 5.371 1.688 1.00 0.00 C ATOM 337 CG HIS A 20 -9.215 4.902 3.107 1.00 0.00 C ATOM 338 ND1 HIS A 20 -10.280 4.947 3.990 1.00 0.00 N ATOM 339 CD2 HIS A 20 -8.180 4.321 3.791 1.00 0.00 C ATOM 340 CE1 HIS A 20 -9.869 4.398 5.145 1.00 0.00 C ATOM 341 NE2 HIS A 20 -8.593 4.003 5.081 1.00 0.00 N ATOM 0 H HIS A 20 -10.242 6.897 -0.366 1.00 0.00 H new ATOM 0 HA HIS A 20 -9.797 7.280 2.585 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -10.189 4.904 1.213 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -8.445 5.057 1.128 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -7.194 4.138 3.390 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -10.493 4.289 6.019 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -8.042 3.564 5.818 1.00 0.00 H new ATOM 349 N ASN A 21 -7.239 7.644 2.222 1.00 0.00 N ATOM 350 CA ASN A 21 -5.888 8.196 1.931 1.00 0.00 C ATOM 351 C ASN A 21 -4.848 7.276 2.570 1.00 0.00 C ATOM 352 O ASN A 21 -4.377 7.507 3.667 1.00 0.00 O ATOM 353 CB ASN A 21 -5.774 9.617 2.492 1.00 0.00 C ATOM 354 CG ASN A 21 -4.301 10.000 2.653 1.00 0.00 C ATOM 355 OD1 ASN A 21 -3.839 10.239 3.752 1.00 0.00 O ATOM 356 ND2 ASN A 21 -3.539 10.070 1.596 1.00 0.00 N ATOM 0 H ASN A 21 -7.411 7.412 3.200 1.00 0.00 H new ATOM 0 HA ASN A 21 -5.720 8.246 0.855 1.00 0.00 H new ATOM 0 HB2 ASN A 21 -6.270 10.321 1.824 1.00 0.00 H new ATOM 0 HB3 ASN A 21 -6.282 9.679 3.455 1.00 0.00 H new ATOM 0 HD21 ASN A 21 -2.556 10.325 1.692 1.00 0.00 H new ATOM 0 HD22 ASN A 21 -3.926 9.870 0.674 1.00 0.00 H new ATOM 363 N LEU A 22 -4.508 6.221 1.887 1.00 0.00 N ATOM 364 CA LEU A 22 -3.522 5.245 2.421 1.00 0.00 C ATOM 365 C LEU A 22 -2.142 5.894 2.551 1.00 0.00 C ATOM 366 O LEU A 22 -1.661 6.544 1.643 1.00 0.00 O ATOM 367 CB LEU A 22 -3.442 4.073 1.451 1.00 0.00 C ATOM 368 CG LEU A 22 -2.465 3.026 1.975 1.00 0.00 C ATOM 369 CD1 LEU A 22 -2.934 1.646 1.521 1.00 0.00 C ATOM 370 CD2 LEU A 22 -1.068 3.299 1.413 1.00 0.00 C ATOM 0 H LEU A 22 -4.879 5.990 0.965 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.837 4.908 3.408 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -4.429 3.629 1.323 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -3.120 4.424 0.470 1.00 0.00 H new ATOM 0 HG LEU A 22 -2.427 3.068 3.064 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.243 0.888 1.889 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.931 1.452 1.917 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -2.963 1.612 0.432 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -0.372 2.549 1.789 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -1.098 3.253 0.324 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -0.738 4.290 1.725 1.00 0.00 H new ATOM 382 N GLU A 23 -1.497 5.707 3.673 1.00 0.00 N ATOM 383 CA GLU A 23 -0.144 6.300 3.867 1.00 0.00 C ATOM 384 C GLU A 23 0.845 5.201 4.273 1.00 0.00 C ATOM 385 O GLU A 23 0.498 4.256 4.953 1.00 0.00 O ATOM 386 CB GLU A 23 -0.205 7.362 4.967 1.00 0.00 C ATOM 387 CG GLU A 23 -1.190 8.460 4.564 1.00 0.00 C ATOM 388 CD GLU A 23 -0.552 9.831 4.802 1.00 0.00 C ATOM 389 OE1 GLU A 23 0.665 9.910 4.765 1.00 0.00 O ATOM 390 OE2 GLU A 23 -1.292 10.777 5.017 1.00 0.00 O ATOM 0 H GLU A 23 -1.851 5.168 4.463 1.00 0.00 H new ATOM 0 HA GLU A 23 0.187 6.759 2.935 1.00 0.00 H new ATOM 0 HB2 GLU A 23 -0.515 6.908 5.908 1.00 0.00 H new ATOM 0 HB3 GLU A 23 0.785 7.789 5.130 1.00 0.00 H new ATOM 0 HG2 GLU A 23 -1.463 8.351 3.514 1.00 0.00 H new ATOM 0 HG3 GLU A 23 -2.109 8.369 5.143 1.00 0.00 H new ATOM 397 N VAL A 24 2.076 5.324 3.858 1.00 0.00 N ATOM 398 CA VAL A 24 3.103 4.298 4.209 1.00 0.00 C ATOM 399 C VAL A 24 4.487 4.951 4.146 1.00 0.00 C ATOM 400 O VAL A 24 4.657 5.996 3.549 1.00 0.00 O ATOM 401 CB VAL A 24 3.022 3.137 3.209 1.00 0.00 C ATOM 402 CG1 VAL A 24 4.334 2.346 3.210 1.00 0.00 C ATOM 403 CG2 VAL A 24 1.874 2.208 3.607 1.00 0.00 C ATOM 0 H VAL A 24 2.418 6.096 3.287 1.00 0.00 H new ATOM 0 HA VAL A 24 2.926 3.912 5.213 1.00 0.00 H new ATOM 0 HB VAL A 24 2.848 3.539 2.211 1.00 0.00 H new ATOM 0 HG11 VAL A 24 4.264 1.525 2.497 1.00 0.00 H new ATOM 0 HG12 VAL A 24 5.156 3.004 2.927 1.00 0.00 H new ATOM 0 HG13 VAL A 24 4.517 1.946 4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 24 1.813 1.381 2.899 1.00 0.00 H new ATOM 0 HG22 VAL A 24 2.054 1.816 4.608 1.00 0.00 H new ATOM 0 HG23 VAL A 24 0.936 2.764 3.598 1.00 0.00 H new ATOM 413 N ASP A 25 5.480 4.356 4.755 1.00 0.00 N ATOM 414 CA ASP A 25 6.832 4.979 4.710 1.00 0.00 C ATOM 415 C ASP A 25 7.929 3.925 4.844 1.00 0.00 C ATOM 416 O ASP A 25 7.789 2.947 5.551 1.00 0.00 O ATOM 417 CB ASP A 25 6.962 5.995 5.847 1.00 0.00 C ATOM 418 CG ASP A 25 8.284 6.751 5.709 1.00 0.00 C ATOM 419 OD1 ASP A 25 9.298 6.211 6.121 1.00 0.00 O ATOM 420 OD2 ASP A 25 8.261 7.856 5.193 1.00 0.00 O ATOM 0 H ASP A 25 5.414 3.480 5.273 1.00 0.00 H new ATOM 0 HA ASP A 25 6.949 5.476 3.747 1.00 0.00 H new ATOM 0 HB2 ASP A 25 6.127 6.695 5.821 1.00 0.00 H new ATOM 0 HB3 ASP A 25 6.921 5.486 6.810 1.00 0.00 H new ATOM 425 N PHE A 26 9.034 4.135 4.175 1.00 0.00 N ATOM 426 CA PHE A 26 10.159 3.162 4.269 1.00 0.00 C ATOM 427 C PHE A 26 11.460 3.844 3.840 1.00 0.00 C ATOM 428 O PHE A 26 11.541 4.449 2.790 1.00 0.00 O ATOM 429 CB PHE A 26 9.881 1.941 3.386 1.00 0.00 C ATOM 430 CG PHE A 26 9.697 2.359 1.948 1.00 0.00 C ATOM 431 CD1 PHE A 26 8.441 2.787 1.496 1.00 0.00 C ATOM 432 CD2 PHE A 26 10.778 2.303 1.061 1.00 0.00 C ATOM 433 CE1 PHE A 26 8.270 3.160 0.159 1.00 0.00 C ATOM 434 CE2 PHE A 26 10.606 2.675 -0.276 1.00 0.00 C ATOM 435 CZ PHE A 26 9.352 3.103 -0.727 1.00 0.00 C ATOM 0 H PHE A 26 9.204 4.938 3.569 1.00 0.00 H new ATOM 0 HA PHE A 26 10.256 2.824 5.301 1.00 0.00 H new ATOM 0 HB2 PHE A 26 10.707 1.234 3.462 1.00 0.00 H new ATOM 0 HB3 PHE A 26 8.987 1.426 3.738 1.00 0.00 H new ATOM 0 HD1 PHE A 26 7.606 2.829 2.180 1.00 0.00 H new ATOM 0 HD2 PHE A 26 11.745 1.972 1.409 1.00 0.00 H new ATOM 0 HE1 PHE A 26 7.303 3.492 -0.190 1.00 0.00 H new ATOM 0 HE2 PHE A 26 11.440 2.632 -0.960 1.00 0.00 H new ATOM 0 HZ PHE A 26 9.219 3.390 -1.760 1.00 0.00 H new ATOM 445 N ILE A 27 12.473 3.764 4.661 1.00 0.00 N ATOM 446 CA ILE A 27 13.769 4.425 4.320 1.00 0.00 C ATOM 447 C ILE A 27 14.577 3.549 3.362 1.00 0.00 C ATOM 448 O ILE A 27 15.448 2.807 3.767 1.00 0.00 O ATOM 449 CB ILE A 27 14.569 4.661 5.603 1.00 0.00 C ATOM 450 CG1 ILE A 27 13.962 5.843 6.353 1.00 0.00 C ATOM 451 CG2 ILE A 27 16.028 4.977 5.260 1.00 0.00 C ATOM 452 CD1 ILE A 27 12.482 5.569 6.626 1.00 0.00 C ATOM 0 H ILE A 27 12.460 3.270 5.553 1.00 0.00 H new ATOM 0 HA ILE A 27 13.565 5.378 3.833 1.00 0.00 H new ATOM 0 HB ILE A 27 14.534 3.764 6.222 1.00 0.00 H new ATOM 0 HG12 ILE A 27 14.492 6.003 7.292 1.00 0.00 H new ATOM 0 HG13 ILE A 27 14.072 6.755 5.766 1.00 0.00 H new ATOM 0 HG21 ILE A 27 16.590 5.144 6.179 1.00 0.00 H new ATOM 0 HG22 ILE A 27 16.463 4.139 4.715 1.00 0.00 H new ATOM 0 HG23 ILE A 27 16.070 5.873 4.641 1.00 0.00 H new ATOM 0 HD11 ILE A 27 12.048 6.413 7.162 1.00 0.00 H new ATOM 0 HD12 ILE A 27 11.957 5.431 5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 27 12.384 4.667 7.230 1.00 0.00 H new ATOM 464 N GLY A 28 14.306 3.643 2.095 1.00 0.00 N ATOM 465 CA GLY A 28 15.066 2.823 1.108 1.00 0.00 C ATOM 466 C GLY A 28 15.868 3.743 0.184 1.00 0.00 C ATOM 467 O GLY A 28 15.402 4.789 -0.221 1.00 0.00 O ATOM 0 H GLY A 28 13.591 4.251 1.696 1.00 0.00 H new ATOM 0 HA2 GLY A 28 15.737 2.139 1.628 1.00 0.00 H new ATOM 0 HA3 GLY A 28 14.379 2.212 0.522 1.00 0.00 H new ATOM 471 N ALA A 29 17.069 3.360 -0.156 1.00 0.00 N ATOM 472 CA ALA A 29 17.895 4.214 -1.057 1.00 0.00 C ATOM 473 C ALA A 29 19.103 3.409 -1.551 1.00 0.00 C ATOM 474 O ALA A 29 19.308 2.289 -1.127 1.00 0.00 O ATOM 475 CB ALA A 29 18.361 5.449 -0.290 1.00 0.00 C ATOM 0 H ALA A 29 17.513 2.494 0.150 1.00 0.00 H new ATOM 0 HA ALA A 29 17.304 4.530 -1.917 1.00 0.00 H new ATOM 0 HB1 ALA A 29 18.966 6.077 -0.944 1.00 0.00 H new ATOM 0 HB2 ALA A 29 17.494 6.012 0.054 1.00 0.00 H new ATOM 0 HB3 ALA A 29 18.957 5.140 0.569 1.00 0.00 H new ATOM 481 N PRO A 30 19.856 3.990 -2.455 1.00 0.00 N ATOM 482 CA PRO A 30 19.610 5.353 -2.973 1.00 0.00 C ATOM 483 C PRO A 30 18.385 5.386 -3.888 1.00 0.00 C ATOM 484 O PRO A 30 18.041 6.413 -4.439 1.00 0.00 O ATOM 485 CB PRO A 30 20.892 5.681 -3.747 1.00 0.00 C ATOM 486 CG PRO A 30 21.550 4.327 -4.093 1.00 0.00 C ATOM 487 CD PRO A 30 21.019 3.313 -3.065 1.00 0.00 C ATOM 0 HA PRO A 30 19.398 6.073 -2.183 1.00 0.00 H new ATOM 0 HB2 PRO A 30 20.666 6.246 -4.652 1.00 0.00 H new ATOM 0 HB3 PRO A 30 21.562 6.296 -3.146 1.00 0.00 H new ATOM 0 HG2 PRO A 30 21.297 4.020 -5.108 1.00 0.00 H new ATOM 0 HG3 PRO A 30 22.636 4.399 -4.043 1.00 0.00 H new ATOM 0 HD2 PRO A 30 20.730 2.377 -3.542 1.00 0.00 H new ATOM 0 HD3 PRO A 30 21.775 3.070 -2.318 1.00 0.00 H new ATOM 495 N ASP A 31 17.714 4.280 -4.048 1.00 0.00 N ATOM 496 CA ASP A 31 16.507 4.271 -4.917 1.00 0.00 C ATOM 497 C ASP A 31 15.850 2.887 -4.869 1.00 0.00 C ATOM 498 O ASP A 31 16.157 2.028 -5.671 1.00 0.00 O ATOM 499 CB ASP A 31 16.909 4.597 -6.357 1.00 0.00 C ATOM 500 CG ASP A 31 16.542 6.048 -6.674 1.00 0.00 C ATOM 501 OD1 ASP A 31 15.364 6.362 -6.636 1.00 0.00 O ATOM 502 OD2 ASP A 31 17.446 6.821 -6.948 1.00 0.00 O ATOM 0 H ASP A 31 17.948 3.386 -3.616 1.00 0.00 H new ATOM 0 HA ASP A 31 15.800 5.020 -4.561 1.00 0.00 H new ATOM 0 HB2 ASP A 31 17.980 4.444 -6.490 1.00 0.00 H new ATOM 0 HB3 ASP A 31 16.403 3.923 -7.048 1.00 0.00 H new ATOM 507 N PRO A 32 14.964 2.716 -3.921 1.00 0.00 N ATOM 508 CA PRO A 32 14.239 1.448 -3.728 1.00 0.00 C ATOM 509 C PRO A 32 13.090 1.323 -4.729 1.00 0.00 C ATOM 510 O PRO A 32 13.015 2.041 -5.706 1.00 0.00 O ATOM 511 CB PRO A 32 13.686 1.566 -2.306 1.00 0.00 C ATOM 512 CG PRO A 32 13.620 3.079 -1.992 1.00 0.00 C ATOM 513 CD PRO A 32 14.606 3.771 -2.951 1.00 0.00 C ATOM 0 HA PRO A 32 14.873 0.574 -3.875 1.00 0.00 H new ATOM 0 HB2 PRO A 32 12.699 1.110 -2.233 1.00 0.00 H new ATOM 0 HB3 PRO A 32 14.329 1.049 -1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 32 12.609 3.460 -2.134 1.00 0.00 H new ATOM 0 HG3 PRO A 32 13.890 3.271 -0.954 1.00 0.00 H new ATOM 0 HD2 PRO A 32 14.147 4.628 -3.445 1.00 0.00 H new ATOM 0 HD3 PRO A 32 15.484 4.141 -2.422 1.00 0.00 H new ATOM 521 N THR A 33 12.190 0.416 -4.477 1.00 0.00 N ATOM 522 CA THR A 33 11.028 0.231 -5.389 1.00 0.00 C ATOM 523 C THR A 33 9.838 -0.273 -4.572 1.00 0.00 C ATOM 524 O THR A 33 9.855 -1.369 -4.048 1.00 0.00 O ATOM 525 CB THR A 33 11.374 -0.795 -6.469 1.00 0.00 C ATOM 526 OG1 THR A 33 12.370 -0.260 -7.328 1.00 0.00 O ATOM 527 CG2 THR A 33 10.117 -1.117 -7.277 1.00 0.00 C ATOM 0 H THR A 33 12.209 -0.210 -3.672 1.00 0.00 H new ATOM 0 HA THR A 33 10.781 1.179 -5.866 1.00 0.00 H new ATOM 0 HB THR A 33 11.752 -1.706 -6.004 1.00 0.00 H new ATOM 0 HG1 THR A 33 12.593 -0.918 -8.019 1.00 0.00 H new ATOM 0 HG21 THR A 33 10.358 -1.848 -8.049 1.00 0.00 H new ATOM 0 HG22 THR A 33 9.354 -1.526 -6.615 1.00 0.00 H new ATOM 0 HG23 THR A 33 9.742 -0.207 -7.744 1.00 0.00 H new ATOM 535 N ALA A 34 8.809 0.516 -4.451 1.00 0.00 N ATOM 536 CA ALA A 34 7.628 0.077 -3.658 1.00 0.00 C ATOM 537 C ALA A 34 6.527 -0.411 -4.599 1.00 0.00 C ATOM 538 O ALA A 34 6.151 0.266 -5.536 1.00 0.00 O ATOM 539 CB ALA A 34 7.109 1.251 -2.825 1.00 0.00 C ATOM 0 H ALA A 34 8.734 1.445 -4.866 1.00 0.00 H new ATOM 0 HA ALA A 34 7.920 -0.738 -2.995 1.00 0.00 H new ATOM 0 HB1 ALA A 34 6.244 0.931 -2.244 1.00 0.00 H new ATOM 0 HB2 ALA A 34 7.893 1.593 -2.150 1.00 0.00 H new ATOM 0 HB3 ALA A 34 6.819 2.067 -3.487 1.00 0.00 H new ATOM 545 N THR A 35 6.006 -1.582 -4.357 1.00 0.00 N ATOM 546 CA THR A 35 4.929 -2.115 -5.235 1.00 0.00 C ATOM 547 C THR A 35 3.614 -2.162 -4.455 1.00 0.00 C ATOM 548 O THR A 35 3.521 -2.781 -3.412 1.00 0.00 O ATOM 549 CB THR A 35 5.300 -3.526 -5.699 1.00 0.00 C ATOM 550 OG1 THR A 35 4.416 -3.929 -6.736 1.00 0.00 O ATOM 551 CG2 THR A 35 5.189 -4.498 -4.524 1.00 0.00 C ATOM 0 H THR A 35 6.281 -2.193 -3.588 1.00 0.00 H new ATOM 0 HA THR A 35 4.813 -1.467 -6.104 1.00 0.00 H new ATOM 0 HB THR A 35 6.324 -3.529 -6.073 1.00 0.00 H new ATOM 0 HG1 THR A 35 4.653 -4.831 -7.036 1.00 0.00 H new ATOM 0 HG21 THR A 35 5.453 -5.502 -4.856 1.00 0.00 H new ATOM 0 HG22 THR A 35 5.868 -4.188 -3.730 1.00 0.00 H new ATOM 0 HG23 THR A 35 4.166 -4.498 -4.147 1.00 0.00 H new ATOM 559 N TRP A 36 2.596 -1.512 -4.952 1.00 0.00 N ATOM 560 CA TRP A 36 1.288 -1.517 -4.242 1.00 0.00 C ATOM 561 C TRP A 36 0.425 -2.671 -4.773 1.00 0.00 C ATOM 562 O TRP A 36 -0.230 -2.580 -5.808 1.00 0.00 O ATOM 563 CB TRP A 36 0.589 -0.173 -4.461 1.00 0.00 C ATOM 564 CG TRP A 36 0.999 0.769 -3.370 1.00 0.00 C ATOM 565 CD1 TRP A 36 1.740 1.891 -3.540 1.00 0.00 C ATOM 566 CD2 TRP A 36 0.716 0.685 -1.943 1.00 0.00 C ATOM 567 NE1 TRP A 36 1.917 2.501 -2.312 1.00 0.00 N ATOM 568 CE2 TRP A 36 1.306 1.797 -1.297 1.00 0.00 C ATOM 569 CE3 TRP A 36 0.009 -0.236 -1.154 1.00 0.00 C ATOM 570 CZ2 TRP A 36 1.199 1.986 0.080 1.00 0.00 C ATOM 571 CZ3 TRP A 36 -0.100 -0.049 0.232 1.00 0.00 C ATOM 572 CH2 TRP A 36 0.493 1.058 0.847 1.00 0.00 C ATOM 0 H TRP A 36 2.616 -0.977 -5.821 1.00 0.00 H new ATOM 0 HA TRP A 36 1.443 -1.661 -3.173 1.00 0.00 H new ATOM 0 HB2 TRP A 36 0.857 0.238 -5.434 1.00 0.00 H new ATOM 0 HB3 TRP A 36 -0.493 -0.306 -4.458 1.00 0.00 H new ATOM 0 HD1 TRP A 36 2.129 2.250 -4.481 1.00 0.00 H new ATOM 0 HE1 TRP A 36 2.437 3.368 -2.174 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -0.454 -1.095 -1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.659 2.843 0.549 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -0.646 -0.765 0.828 1.00 0.00 H new ATOM 0 HH2 TRP A 36 0.405 1.195 1.915 1.00 0.00 H new ATOM 583 N THR A 37 0.422 -3.770 -4.075 1.00 0.00 N ATOM 584 CA THR A 37 -0.384 -4.919 -4.542 1.00 0.00 C ATOM 585 C THR A 37 -1.671 -5.004 -3.747 1.00 0.00 C ATOM 586 O THR A 37 -1.810 -4.446 -2.677 1.00 0.00 O ATOM 587 CB THR A 37 0.397 -6.227 -4.384 1.00 0.00 C ATOM 588 OG1 THR A 37 1.581 -5.986 -3.637 1.00 0.00 O ATOM 589 CG2 THR A 37 0.765 -6.781 -5.762 1.00 0.00 C ATOM 0 H THR A 37 0.940 -3.918 -3.209 1.00 0.00 H new ATOM 0 HA THR A 37 -0.614 -4.770 -5.597 1.00 0.00 H new ATOM 0 HB THR A 37 -0.223 -6.954 -3.859 1.00 0.00 H new ATOM 0 HG1 THR A 37 1.369 -5.980 -2.680 1.00 0.00 H new ATOM 0 HG21 THR A 37 1.320 -7.711 -5.644 1.00 0.00 H new ATOM 0 HG22 THR A 37 -0.144 -6.971 -6.332 1.00 0.00 H new ATOM 0 HG23 THR A 37 1.381 -6.056 -6.293 1.00 0.00 H new ATOM 597 N VAL A 38 -2.613 -5.698 -4.290 1.00 0.00 N ATOM 598 CA VAL A 38 -3.922 -5.850 -3.631 1.00 0.00 C ATOM 599 C VAL A 38 -4.000 -7.244 -3.000 1.00 0.00 C ATOM 600 O VAL A 38 -2.999 -7.908 -2.818 1.00 0.00 O ATOM 601 CB VAL A 38 -4.987 -5.670 -4.707 1.00 0.00 C ATOM 602 CG1 VAL A 38 -5.205 -6.987 -5.431 1.00 0.00 C ATOM 603 CG2 VAL A 38 -6.287 -5.203 -4.080 1.00 0.00 C ATOM 0 H VAL A 38 -2.529 -6.179 -5.186 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.070 -5.115 -2.840 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.652 -4.917 -5.421 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.966 -6.858 -6.200 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -4.272 -7.306 -5.895 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -5.534 -7.744 -4.719 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -7.041 -5.077 -4.857 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.630 -5.944 -3.358 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -6.126 -4.251 -3.574 1.00 0.00 H new ATOM 613 N GLY A 39 -5.174 -7.690 -2.663 1.00 0.00 N ATOM 614 CA GLY A 39 -5.303 -9.040 -2.041 1.00 0.00 C ATOM 615 C GLY A 39 -5.903 -10.023 -3.048 1.00 0.00 C ATOM 616 O GLY A 39 -7.090 -10.017 -3.307 1.00 0.00 O ATOM 0 H GLY A 39 -6.050 -7.183 -2.789 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -4.326 -9.394 -1.713 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -5.935 -8.983 -1.155 1.00 0.00 H new ATOM 620 N ASP A 40 -5.090 -10.874 -3.612 1.00 0.00 N ATOM 621 CA ASP A 40 -5.607 -11.866 -4.596 1.00 0.00 C ATOM 622 C ASP A 40 -4.465 -12.785 -5.037 1.00 0.00 C ATOM 623 O ASP A 40 -4.443 -13.275 -6.149 1.00 0.00 O ATOM 624 CB ASP A 40 -6.177 -11.138 -5.813 1.00 0.00 C ATOM 625 CG ASP A 40 -7.643 -11.530 -6.004 1.00 0.00 C ATOM 626 OD1 ASP A 40 -8.484 -10.942 -5.344 1.00 0.00 O ATOM 627 OD2 ASP A 40 -7.900 -12.412 -6.807 1.00 0.00 O ATOM 0 H ASP A 40 -4.087 -10.925 -3.433 1.00 0.00 H new ATOM 0 HA ASP A 40 -6.395 -12.459 -4.132 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -6.093 -10.060 -5.677 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -5.603 -11.393 -6.704 1.00 0.00 H new ATOM 632 N SER A 41 -3.523 -13.030 -4.169 1.00 0.00 N ATOM 633 CA SER A 41 -2.389 -13.925 -4.525 1.00 0.00 C ATOM 634 C SER A 41 -1.454 -13.231 -5.521 1.00 0.00 C ATOM 635 O SER A 41 -1.063 -13.807 -6.518 1.00 0.00 O ATOM 636 CB SER A 41 -2.944 -15.201 -5.148 1.00 0.00 C ATOM 637 OG SER A 41 -1.987 -16.244 -5.018 1.00 0.00 O ATOM 0 H SER A 41 -3.491 -12.647 -3.224 1.00 0.00 H new ATOM 0 HA SER A 41 -1.822 -14.164 -3.625 1.00 0.00 H new ATOM 0 HB2 SER A 41 -3.875 -15.483 -4.657 1.00 0.00 H new ATOM 0 HB3 SER A 41 -3.176 -15.034 -6.200 1.00 0.00 H new ATOM 0 HG SER A 41 -2.342 -17.066 -5.417 1.00 0.00 H new ATOM 643 N GLY A 42 -1.077 -12.008 -5.259 1.00 0.00 N ATOM 644 CA GLY A 42 -0.154 -11.303 -6.193 1.00 0.00 C ATOM 645 C GLY A 42 -0.917 -10.245 -6.992 1.00 0.00 C ATOM 646 O GLY A 42 -0.340 -9.520 -7.778 1.00 0.00 O ATOM 0 H GLY A 42 -1.367 -11.469 -4.443 1.00 0.00 H new ATOM 0 HA2 GLY A 42 0.654 -10.833 -5.632 1.00 0.00 H new ATOM 0 HA3 GLY A 42 0.306 -12.021 -6.872 1.00 0.00 H new ATOM 650 N ALA A 43 -2.204 -10.144 -6.804 1.00 0.00 N ATOM 651 CA ALA A 43 -2.976 -9.127 -7.562 1.00 0.00 C ATOM 652 C ALA A 43 -2.368 -7.752 -7.302 1.00 0.00 C ATOM 653 O ALA A 43 -1.596 -7.572 -6.383 1.00 0.00 O ATOM 654 CB ALA A 43 -4.440 -9.133 -7.109 1.00 0.00 C ATOM 0 H ALA A 43 -2.749 -10.719 -6.162 1.00 0.00 H new ATOM 0 HA ALA A 43 -2.936 -9.358 -8.626 1.00 0.00 H new ATOM 0 HB1 ALA A 43 -4.998 -8.384 -7.671 1.00 0.00 H new ATOM 0 HB2 ALA A 43 -4.872 -10.117 -7.288 1.00 0.00 H new ATOM 0 HB3 ALA A 43 -4.493 -8.902 -6.045 1.00 0.00 H new ATOM 660 N ALA A 44 -2.707 -6.780 -8.099 1.00 0.00 N ATOM 661 CA ALA A 44 -2.146 -5.419 -7.887 1.00 0.00 C ATOM 662 C ALA A 44 -3.294 -4.418 -7.798 1.00 0.00 C ATOM 663 O ALA A 44 -4.327 -4.599 -8.411 1.00 0.00 O ATOM 664 CB ALA A 44 -1.235 -5.051 -9.059 1.00 0.00 C ATOM 0 H ALA A 44 -3.348 -6.869 -8.888 1.00 0.00 H new ATOM 0 HA ALA A 44 -1.567 -5.399 -6.964 1.00 0.00 H new ATOM 0 HB1 ALA A 44 -0.825 -4.053 -8.902 1.00 0.00 H new ATOM 0 HB2 ALA A 44 -0.420 -5.772 -9.127 1.00 0.00 H new ATOM 0 HB3 ALA A 44 -1.810 -5.065 -9.985 1.00 0.00 H new ATOM 670 N LEU A 45 -3.132 -3.353 -7.057 1.00 0.00 N ATOM 671 CA LEU A 45 -4.259 -2.363 -6.985 1.00 0.00 C ATOM 672 C LEU A 45 -3.820 -1.032 -7.590 1.00 0.00 C ATOM 673 O LEU A 45 -2.666 -0.656 -7.527 1.00 0.00 O ATOM 674 CB LEU A 45 -4.784 -2.184 -5.541 1.00 0.00 C ATOM 675 CG LEU A 45 -3.827 -1.370 -4.663 1.00 0.00 C ATOM 676 CD1 LEU A 45 -2.426 -1.912 -4.789 1.00 0.00 C ATOM 677 CD2 LEU A 45 -3.854 0.106 -5.066 1.00 0.00 C ATOM 0 H LEU A 45 -2.299 -3.126 -6.513 1.00 0.00 H new ATOM 0 HA LEU A 45 -5.092 -2.755 -7.568 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -5.755 -1.689 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.939 -3.164 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 45 -4.151 -1.453 -3.626 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -1.752 -1.328 -4.162 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -2.409 -2.954 -4.468 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.103 -1.847 -5.828 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.169 0.669 -4.432 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.549 0.204 -6.108 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -4.864 0.498 -4.946 1.00 0.00 H new ATOM 689 N ALA A 46 -4.737 -0.326 -8.198 1.00 0.00 N ATOM 690 CA ALA A 46 -4.382 0.971 -8.836 1.00 0.00 C ATOM 691 C ALA A 46 -5.543 1.468 -9.713 1.00 0.00 C ATOM 692 O ALA A 46 -6.001 2.580 -9.547 1.00 0.00 O ATOM 693 CB ALA A 46 -3.136 0.784 -9.704 1.00 0.00 C ATOM 0 H ALA A 46 -5.718 -0.594 -8.279 1.00 0.00 H new ATOM 0 HA ALA A 46 -4.185 1.708 -8.057 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -2.873 1.732 -10.173 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.307 0.445 -9.083 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -3.338 0.042 -10.476 1.00 0.00 H new ATOM 699 N PRO A 47 -5.992 0.636 -10.625 1.00 0.00 N ATOM 700 CA PRO A 47 -7.095 0.998 -11.537 1.00 0.00 C ATOM 701 C PRO A 47 -8.420 1.082 -10.777 1.00 0.00 C ATOM 702 O PRO A 47 -9.437 1.467 -11.319 1.00 0.00 O ATOM 703 CB PRO A 47 -7.092 -0.123 -12.581 1.00 0.00 C ATOM 704 CG PRO A 47 -6.367 -1.321 -11.929 1.00 0.00 C ATOM 705 CD PRO A 47 -5.468 -0.735 -10.823 1.00 0.00 C ATOM 0 HA PRO A 47 -6.971 1.978 -11.997 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -8.109 -0.392 -12.865 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -6.580 0.193 -13.490 1.00 0.00 H new ATOM 0 HG2 PRO A 47 -7.084 -2.029 -11.513 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -5.774 -1.864 -12.665 1.00 0.00 H new ATOM 0 HD2 PRO A 47 -5.529 -1.322 -9.906 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -4.421 -0.722 -11.125 1.00 0.00 H new ATOM 713 N GLU A 48 -8.405 0.759 -9.516 1.00 0.00 N ATOM 714 CA GLU A 48 -9.647 0.854 -8.703 1.00 0.00 C ATOM 715 C GLU A 48 -9.429 1.935 -7.647 1.00 0.00 C ATOM 716 O GLU A 48 -10.055 1.945 -6.606 1.00 0.00 O ATOM 717 CB GLU A 48 -9.923 -0.487 -8.018 1.00 0.00 C ATOM 718 CG GLU A 48 -9.759 -1.622 -9.030 1.00 0.00 C ATOM 719 CD GLU A 48 -11.071 -1.822 -9.789 1.00 0.00 C ATOM 720 OE1 GLU A 48 -11.478 -0.905 -10.483 1.00 0.00 O ATOM 721 OE2 GLU A 48 -11.648 -2.890 -9.663 1.00 0.00 O ATOM 0 H GLU A 48 -7.582 0.432 -9.011 1.00 0.00 H new ATOM 0 HA GLU A 48 -10.499 1.102 -9.336 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -9.237 -0.629 -7.183 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -10.932 -0.496 -7.606 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -8.955 -1.388 -9.728 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -9.479 -2.542 -8.518 1.00 0.00 H new ATOM 728 N LEU A 49 -8.523 2.837 -7.913 1.00 0.00 N ATOM 729 CA LEU A 49 -8.221 3.918 -6.943 1.00 0.00 C ATOM 730 C LEU A 49 -6.992 4.676 -7.438 1.00 0.00 C ATOM 731 O LEU A 49 -6.619 4.573 -8.588 1.00 0.00 O ATOM 732 CB LEU A 49 -7.939 3.293 -5.579 1.00 0.00 C ATOM 733 CG LEU A 49 -6.927 2.157 -5.736 1.00 0.00 C ATOM 734 CD1 LEU A 49 -5.556 2.618 -5.240 1.00 0.00 C ATOM 735 CD2 LEU A 49 -7.386 0.955 -4.910 1.00 0.00 C ATOM 0 H LEU A 49 -7.975 2.867 -8.773 1.00 0.00 H new ATOM 0 HA LEU A 49 -9.063 4.605 -6.852 1.00 0.00 H new ATOM 0 HB2 LEU A 49 -7.551 4.048 -4.895 1.00 0.00 H new ATOM 0 HB3 LEU A 49 -8.863 2.913 -5.143 1.00 0.00 H new ATOM 0 HG LEU A 49 -6.856 1.877 -6.787 1.00 0.00 H new ATOM 0 HD11 LEU A 49 -4.837 1.807 -5.353 1.00 0.00 H new ATOM 0 HD12 LEU A 49 -5.228 3.478 -5.824 1.00 0.00 H new ATOM 0 HD13 LEU A 49 -5.625 2.898 -4.189 1.00 0.00 H new ATOM 0 HD21 LEU A 49 -6.667 0.143 -5.019 1.00 0.00 H new ATOM 0 HD22 LEU A 49 -7.455 1.240 -3.860 1.00 0.00 H new ATOM 0 HD23 LEU A 49 -8.363 0.624 -5.261 1.00 0.00 H new ATOM 747 N LEU A 50 -6.348 5.429 -6.598 1.00 0.00 N ATOM 748 CA LEU A 50 -5.133 6.161 -7.072 1.00 0.00 C ATOM 749 C LEU A 50 -3.933 5.690 -6.257 1.00 0.00 C ATOM 750 O LEU A 50 -4.085 5.039 -5.244 1.00 0.00 O ATOM 751 CB LEU A 50 -5.305 7.678 -6.919 1.00 0.00 C ATOM 752 CG LEU A 50 -6.763 8.019 -6.604 1.00 0.00 C ATOM 753 CD1 LEU A 50 -6.914 9.536 -6.486 1.00 0.00 C ATOM 754 CD2 LEU A 50 -7.660 7.505 -7.732 1.00 0.00 C ATOM 0 H LEU A 50 -6.599 5.572 -5.620 1.00 0.00 H new ATOM 0 HA LEU A 50 -4.980 5.949 -8.130 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -4.658 8.045 -6.122 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -4.997 8.180 -7.836 1.00 0.00 H new ATOM 0 HG LEU A 50 -7.054 7.549 -5.665 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -7.952 9.782 -6.262 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -6.273 9.904 -5.685 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -6.625 10.005 -7.427 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -8.699 7.747 -7.509 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -7.371 7.977 -8.671 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -7.550 6.424 -7.820 1.00 0.00 H new ATOM 766 N VAL A 51 -2.738 5.990 -6.688 1.00 0.00 N ATOM 767 CA VAL A 51 -1.556 5.523 -5.914 1.00 0.00 C ATOM 768 C VAL A 51 -0.358 6.451 -6.122 1.00 0.00 C ATOM 769 O VAL A 51 0.087 6.680 -7.229 1.00 0.00 O ATOM 770 CB VAL A 51 -1.184 4.111 -6.365 1.00 0.00 C ATOM 771 CG1 VAL A 51 -0.007 3.604 -5.532 1.00 0.00 C ATOM 772 CG2 VAL A 51 -2.384 3.187 -6.162 1.00 0.00 C ATOM 0 H VAL A 51 -2.532 6.529 -7.529 1.00 0.00 H new ATOM 0 HA VAL A 51 -1.815 5.527 -4.855 1.00 0.00 H new ATOM 0 HB VAL A 51 -0.904 4.124 -7.418 1.00 0.00 H new ATOM 0 HG11 VAL A 51 0.259 2.597 -5.853 1.00 0.00 H new ATOM 0 HG12 VAL A 51 0.848 4.266 -5.669 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -0.287 3.587 -4.479 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -2.124 2.178 -6.482 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -2.659 3.174 -5.107 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -3.226 3.549 -6.752 1.00 0.00 H new ATOM 782 N ASP A 52 0.180 6.959 -5.048 1.00 0.00 N ATOM 783 CA ASP A 52 1.372 7.847 -5.140 1.00 0.00 C ATOM 784 C ASP A 52 2.487 7.212 -4.308 1.00 0.00 C ATOM 785 O ASP A 52 2.227 6.476 -3.376 1.00 0.00 O ATOM 786 CB ASP A 52 1.031 9.231 -4.581 1.00 0.00 C ATOM 787 CG ASP A 52 0.242 10.023 -5.624 1.00 0.00 C ATOM 788 OD1 ASP A 52 0.830 10.398 -6.625 1.00 0.00 O ATOM 789 OD2 ASP A 52 -0.939 10.241 -5.405 1.00 0.00 O ATOM 0 H ASP A 52 -0.160 6.795 -4.100 1.00 0.00 H new ATOM 0 HA ASP A 52 1.686 7.962 -6.177 1.00 0.00 H new ATOM 0 HB2 ASP A 52 0.447 9.131 -3.666 1.00 0.00 H new ATOM 0 HB3 ASP A 52 1.945 9.764 -4.319 1.00 0.00 H new ATOM 794 N ALA A 53 3.724 7.455 -4.623 1.00 0.00 N ATOM 795 CA ALA A 53 4.791 6.811 -3.815 1.00 0.00 C ATOM 796 C ALA A 53 6.093 7.614 -3.875 1.00 0.00 C ATOM 797 O ALA A 53 6.423 8.223 -4.873 1.00 0.00 O ATOM 798 CB ALA A 53 5.021 5.395 -4.343 1.00 0.00 C ATOM 0 H ALA A 53 4.039 8.056 -5.385 1.00 0.00 H new ATOM 0 HA ALA A 53 4.474 6.775 -2.773 1.00 0.00 H new ATOM 0 HB1 ALA A 53 5.803 4.911 -3.758 1.00 0.00 H new ATOM 0 HB2 ALA A 53 4.098 4.821 -4.260 1.00 0.00 H new ATOM 0 HB3 ALA A 53 5.327 5.442 -5.388 1.00 0.00 H new ATOM 804 N LYS A 54 6.830 7.613 -2.794 1.00 0.00 N ATOM 805 CA LYS A 54 8.118 8.367 -2.746 1.00 0.00 C ATOM 806 C LYS A 54 9.287 7.393 -2.543 1.00 0.00 C ATOM 807 O LYS A 54 9.119 6.286 -2.072 1.00 0.00 O ATOM 808 CB LYS A 54 8.081 9.365 -1.586 1.00 0.00 C ATOM 809 CG LYS A 54 8.060 10.791 -2.141 1.00 0.00 C ATOM 810 CD LYS A 54 7.144 11.662 -1.279 1.00 0.00 C ATOM 811 CE LYS A 54 5.730 11.648 -1.861 1.00 0.00 C ATOM 812 NZ LYS A 54 4.807 12.369 -0.939 1.00 0.00 N ATOM 0 H LYS A 54 6.592 7.117 -1.935 1.00 0.00 H new ATOM 0 HA LYS A 54 8.255 8.901 -3.686 1.00 0.00 H new ATOM 0 HB2 LYS A 54 7.199 9.190 -0.970 1.00 0.00 H new ATOM 0 HB3 LYS A 54 8.951 9.226 -0.944 1.00 0.00 H new ATOM 0 HG2 LYS A 54 9.069 11.204 -2.150 1.00 0.00 H new ATOM 0 HG3 LYS A 54 7.709 10.786 -3.173 1.00 0.00 H new ATOM 0 HD2 LYS A 54 7.130 11.291 -0.254 1.00 0.00 H new ATOM 0 HD3 LYS A 54 7.524 12.683 -1.243 1.00 0.00 H new ATOM 0 HE2 LYS A 54 5.724 12.122 -2.843 1.00 0.00 H new ATOM 0 HE3 LYS A 54 5.393 10.621 -2.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 54 3.845 12.360 -1.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 54 4.805 11.898 -0.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 54 5.126 13.352 -0.827 1.00 0.00 H new ATOM 826 N SER A 55 10.471 7.799 -2.906 1.00 0.00 N ATOM 827 CA SER A 55 11.659 6.907 -2.760 1.00 0.00 C ATOM 828 C SER A 55 11.760 6.334 -1.339 1.00 0.00 C ATOM 829 O SER A 55 11.953 5.149 -1.158 1.00 0.00 O ATOM 830 CB SER A 55 12.926 7.706 -3.069 1.00 0.00 C ATOM 831 OG SER A 55 12.696 9.080 -2.786 1.00 0.00 O ATOM 0 H SER A 55 10.670 8.718 -3.301 1.00 0.00 H new ATOM 0 HA SER A 55 11.550 6.076 -3.456 1.00 0.00 H new ATOM 0 HB2 SER A 55 13.759 7.334 -2.472 1.00 0.00 H new ATOM 0 HB3 SER A 55 13.203 7.580 -4.116 1.00 0.00 H new ATOM 0 HG SER A 55 13.507 9.594 -2.981 1.00 0.00 H new ATOM 837 N SER A 56 11.663 7.156 -0.329 1.00 0.00 N ATOM 838 CA SER A 56 11.791 6.630 1.065 1.00 0.00 C ATOM 839 C SER A 56 10.417 6.504 1.726 1.00 0.00 C ATOM 840 O SER A 56 10.297 6.524 2.936 1.00 0.00 O ATOM 841 CB SER A 56 12.658 7.586 1.885 1.00 0.00 C ATOM 842 OG SER A 56 13.996 7.532 1.408 1.00 0.00 O ATOM 0 H SER A 56 11.502 8.160 -0.405 1.00 0.00 H new ATOM 0 HA SER A 56 12.251 5.643 1.025 1.00 0.00 H new ATOM 0 HB2 SER A 56 12.273 8.603 1.807 1.00 0.00 H new ATOM 0 HB3 SER A 56 12.624 7.312 2.940 1.00 0.00 H new ATOM 0 HG SER A 56 14.554 8.145 1.930 1.00 0.00 H new ATOM 848 N THR A 57 9.378 6.372 0.954 1.00 0.00 N ATOM 849 CA THR A 57 8.023 6.249 1.563 1.00 0.00 C ATOM 850 C THR A 57 7.002 6.046 0.454 1.00 0.00 C ATOM 851 O THR A 57 7.355 5.819 -0.681 1.00 0.00 O ATOM 852 CB THR A 57 7.699 7.545 2.318 1.00 0.00 C ATOM 853 OG1 THR A 57 6.549 7.361 3.132 1.00 0.00 O ATOM 854 CG2 THR A 57 7.429 8.659 1.309 1.00 0.00 C ATOM 0 H THR A 57 9.405 6.344 -0.065 1.00 0.00 H new ATOM 0 HA THR A 57 7.995 5.404 2.251 1.00 0.00 H new ATOM 0 HB THR A 57 8.545 7.812 2.951 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.434 8.139 3.716 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.198 9.583 1.840 1.00 0.00 H new ATOM 0 HG22 THR A 57 8.312 8.809 0.687 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.584 8.382 0.679 1.00 0.00 H new ATOM 862 N THR A 58 5.741 6.148 0.763 1.00 0.00 N ATOM 863 CA THR A 58 4.716 5.989 -0.295 1.00 0.00 C ATOM 864 C THR A 58 3.318 6.073 0.313 1.00 0.00 C ATOM 865 O THR A 58 3.091 5.681 1.438 1.00 0.00 O ATOM 866 CB THR A 58 4.877 4.637 -0.990 1.00 0.00 C ATOM 867 OG1 THR A 58 4.045 4.601 -2.137 1.00 0.00 O ATOM 868 CG2 THR A 58 4.467 3.520 -0.033 1.00 0.00 C ATOM 0 H THR A 58 5.380 6.334 1.699 1.00 0.00 H new ATOM 0 HA THR A 58 4.847 6.789 -1.024 1.00 0.00 H new ATOM 0 HB THR A 58 5.917 4.499 -1.285 1.00 0.00 H new ATOM 0 HG1 THR A 58 4.170 3.749 -2.605 1.00 0.00 H new ATOM 0 HG21 THR A 58 4.582 2.556 -0.529 1.00 0.00 H new ATOM 0 HG22 THR A 58 5.100 3.550 0.854 1.00 0.00 H new ATOM 0 HG23 THR A 58 3.426 3.656 0.260 1.00 0.00 H new ATOM 876 N SER A 59 2.377 6.564 -0.441 1.00 0.00 N ATOM 877 CA SER A 59 0.979 6.661 0.061 1.00 0.00 C ATOM 878 C SER A 59 0.051 6.547 -1.131 1.00 0.00 C ATOM 879 O SER A 59 0.350 7.023 -2.205 1.00 0.00 O ATOM 880 CB SER A 59 0.763 7.998 0.771 1.00 0.00 C ATOM 881 OG SER A 59 1.321 9.043 -0.016 1.00 0.00 O ATOM 0 H SER A 59 2.517 6.905 -1.392 1.00 0.00 H new ATOM 0 HA SER A 59 0.778 5.864 0.777 1.00 0.00 H new ATOM 0 HB2 SER A 59 -0.302 8.173 0.926 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.230 7.980 1.756 1.00 0.00 H new ATOM 0 HG SER A 59 1.183 9.902 0.435 1.00 0.00 H new ATOM 887 N ILE A 60 -1.056 5.894 -0.980 1.00 0.00 N ATOM 888 CA ILE A 60 -1.941 5.734 -2.152 1.00 0.00 C ATOM 889 C ILE A 60 -3.369 6.172 -1.818 1.00 0.00 C ATOM 890 O ILE A 60 -3.734 6.338 -0.671 1.00 0.00 O ATOM 891 CB ILE A 60 -1.835 4.279 -2.628 1.00 0.00 C ATOM 892 CG1 ILE A 60 -2.666 3.348 -1.746 1.00 0.00 C ATOM 893 CG2 ILE A 60 -0.363 3.850 -2.537 1.00 0.00 C ATOM 894 CD1 ILE A 60 -2.577 1.919 -2.293 1.00 0.00 C ATOM 0 H ILE A 60 -1.383 5.470 -0.112 1.00 0.00 H new ATOM 0 HA ILE A 60 -1.631 6.382 -2.972 1.00 0.00 H new ATOM 0 HB ILE A 60 -2.208 4.215 -3.650 1.00 0.00 H new ATOM 0 HG12 ILE A 60 -2.302 3.380 -0.719 1.00 0.00 H new ATOM 0 HG13 ILE A 60 -3.705 3.678 -1.726 1.00 0.00 H new ATOM 0 HG21 ILE A 60 -0.264 2.817 -2.871 1.00 0.00 H new ATOM 0 HG22 ILE A 60 0.244 4.496 -3.171 1.00 0.00 H new ATOM 0 HG23 ILE A 60 -0.023 3.932 -1.504 1.00 0.00 H new ATOM 0 HD11 ILE A 60 -3.169 1.252 -1.666 1.00 0.00 H new ATOM 0 HD12 ILE A 60 -2.962 1.895 -3.313 1.00 0.00 H new ATOM 0 HD13 ILE A 60 -1.537 1.592 -2.290 1.00 0.00 H new ATOM 906 N PHE A 61 -4.138 6.463 -2.831 1.00 0.00 N ATOM 907 CA PHE A 61 -5.506 7.015 -2.614 1.00 0.00 C ATOM 908 C PHE A 61 -6.635 6.026 -2.907 1.00 0.00 C ATOM 909 O PHE A 61 -6.466 5.051 -3.605 1.00 0.00 O ATOM 910 CB PHE A 61 -5.648 8.194 -3.559 1.00 0.00 C ATOM 911 CG PHE A 61 -5.385 9.452 -2.802 1.00 0.00 C ATOM 912 CD1 PHE A 61 -4.135 9.651 -2.223 1.00 0.00 C ATOM 913 CD2 PHE A 61 -6.384 10.411 -2.680 1.00 0.00 C ATOM 914 CE1 PHE A 61 -3.874 10.818 -1.516 1.00 0.00 C ATOM 915 CE2 PHE A 61 -6.135 11.585 -1.974 1.00 0.00 C ATOM 916 CZ PHE A 61 -4.875 11.795 -1.387 1.00 0.00 C ATOM 0 H PHE A 61 -3.875 6.341 -3.809 1.00 0.00 H new ATOM 0 HA PHE A 61 -5.600 7.278 -1.561 1.00 0.00 H new ATOM 0 HB2 PHE A 61 -4.947 8.099 -4.388 1.00 0.00 H new ATOM 0 HB3 PHE A 61 -6.650 8.215 -3.989 1.00 0.00 H new ATOM 0 HD1 PHE A 61 -3.368 8.898 -2.323 1.00 0.00 H new ATOM 0 HD2 PHE A 61 -7.351 10.246 -3.132 1.00 0.00 H new ATOM 0 HE1 PHE A 61 -2.904 10.974 -1.067 1.00 0.00 H new ATOM 0 HE2 PHE A 61 -6.908 12.333 -1.878 1.00 0.00 H new ATOM 0 HZ PHE A 61 -4.677 12.704 -0.839 1.00 0.00 H new ATOM 926 N PHE A 62 -7.804 6.330 -2.380 1.00 0.00 N ATOM 927 CA PHE A 62 -9.018 5.484 -2.598 1.00 0.00 C ATOM 928 C PHE A 62 -10.268 6.379 -2.650 1.00 0.00 C ATOM 929 O PHE A 62 -11.251 6.072 -2.007 1.00 0.00 O ATOM 930 CB PHE A 62 -9.237 4.554 -1.410 1.00 0.00 C ATOM 931 CG PHE A 62 -8.238 3.432 -1.363 1.00 0.00 C ATOM 932 CD1 PHE A 62 -6.894 3.696 -1.095 1.00 0.00 C ATOM 933 CD2 PHE A 62 -8.675 2.116 -1.544 1.00 0.00 C ATOM 934 CE1 PHE A 62 -5.981 2.638 -1.011 1.00 0.00 C ATOM 935 CE2 PHE A 62 -7.764 1.061 -1.467 1.00 0.00 C ATOM 936 CZ PHE A 62 -6.417 1.321 -1.200 1.00 0.00 C ATOM 0 H PHE A 62 -7.965 7.150 -1.795 1.00 0.00 H new ATOM 0 HA PHE A 62 -8.868 4.926 -3.523 1.00 0.00 H new ATOM 0 HB2 PHE A 62 -9.175 5.130 -0.486 1.00 0.00 H new ATOM 0 HB3 PHE A 62 -10.243 4.138 -1.460 1.00 0.00 H new ATOM 0 HD1 PHE A 62 -6.559 4.713 -0.953 1.00 0.00 H new ATOM 0 HD2 PHE A 62 -9.717 1.916 -1.743 1.00 0.00 H new ATOM 0 HE1 PHE A 62 -4.941 2.838 -0.800 1.00 0.00 H new ATOM 0 HE2 PHE A 62 -8.100 0.045 -1.614 1.00 0.00 H new ATOM 0 HZ PHE A 62 -5.712 0.505 -1.139 1.00 0.00 H new ATOM 946 N PRO A 63 -10.215 7.449 -3.397 1.00 0.00 N ATOM 947 CA PRO A 63 -11.362 8.370 -3.518 1.00 0.00 C ATOM 948 C PRO A 63 -12.531 7.663 -4.195 1.00 0.00 C ATOM 949 O PRO A 63 -13.661 8.108 -4.147 1.00 0.00 O ATOM 950 CB PRO A 63 -10.811 9.534 -4.343 1.00 0.00 C ATOM 951 CG PRO A 63 -9.571 8.981 -5.073 1.00 0.00 C ATOM 952 CD PRO A 63 -9.044 7.836 -4.193 1.00 0.00 C ATOM 0 HA PRO A 63 -11.755 8.716 -2.562 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -11.554 9.896 -5.054 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -10.545 10.376 -3.703 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -9.831 8.621 -6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -8.815 9.756 -5.201 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -8.675 7.005 -4.794 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -8.219 8.163 -3.560 1.00 0.00 H new ATOM 960 N SER A 64 -12.263 6.545 -4.792 1.00 0.00 N ATOM 961 CA SER A 64 -13.344 5.761 -5.446 1.00 0.00 C ATOM 962 C SER A 64 -13.431 4.395 -4.758 1.00 0.00 C ATOM 963 O SER A 64 -13.368 3.365 -5.398 1.00 0.00 O ATOM 964 CB SER A 64 -13.016 5.568 -6.928 1.00 0.00 C ATOM 965 OG SER A 64 -14.180 5.823 -7.703 1.00 0.00 O ATOM 0 H SER A 64 -11.332 6.133 -4.858 1.00 0.00 H new ATOM 0 HA SER A 64 -14.294 6.288 -5.360 1.00 0.00 H new ATOM 0 HB2 SER A 64 -12.212 6.242 -7.225 1.00 0.00 H new ATOM 0 HB3 SER A 64 -12.662 4.552 -7.105 1.00 0.00 H new ATOM 0 HG SER A 64 -13.973 5.702 -8.653 1.00 0.00 H new ATOM 971 N ALA A 65 -13.555 4.376 -3.453 1.00 0.00 N ATOM 972 CA ALA A 65 -13.620 3.069 -2.737 1.00 0.00 C ATOM 973 C ALA A 65 -15.069 2.628 -2.549 1.00 0.00 C ATOM 974 O ALA A 65 -15.947 3.421 -2.247 1.00 0.00 O ATOM 975 CB ALA A 65 -12.960 3.186 -1.368 1.00 0.00 C ATOM 0 H ALA A 65 -13.613 5.203 -2.859 1.00 0.00 H new ATOM 0 HA ALA A 65 -13.093 2.329 -3.340 1.00 0.00 H new ATOM 0 HB1 ALA A 65 -13.014 2.226 -0.855 1.00 0.00 H new ATOM 0 HB2 ALA A 65 -11.916 3.474 -1.491 1.00 0.00 H new ATOM 0 HB3 ALA A 65 -13.478 3.942 -0.778 1.00 0.00 H new ATOM 981 N LYS A 66 -15.305 1.353 -2.710 1.00 0.00 N ATOM 982 CA LYS A 66 -16.677 0.799 -2.543 1.00 0.00 C ATOM 983 C LYS A 66 -16.582 -0.634 -2.014 1.00 0.00 C ATOM 984 O LYS A 66 -15.507 -1.162 -1.821 1.00 0.00 O ATOM 985 CB LYS A 66 -17.399 0.795 -3.894 1.00 0.00 C ATOM 986 CG LYS A 66 -17.755 2.229 -4.292 1.00 0.00 C ATOM 987 CD LYS A 66 -17.981 2.300 -5.804 1.00 0.00 C ATOM 988 CE LYS A 66 -19.463 2.553 -6.087 1.00 0.00 C ATOM 989 NZ LYS A 66 -20.266 1.393 -5.604 1.00 0.00 N ATOM 0 H LYS A 66 -14.594 0.664 -2.954 1.00 0.00 H new ATOM 0 HA LYS A 66 -17.234 1.416 -1.838 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -16.764 0.343 -4.656 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -18.303 0.189 -3.832 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -18.652 2.552 -3.764 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -16.953 2.908 -4.002 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -17.376 3.097 -6.236 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -17.664 1.369 -6.274 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -19.788 3.467 -5.590 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -19.621 2.698 -7.156 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -21.236 1.465 -5.972 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -19.834 0.508 -5.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -20.289 1.395 -4.564 1.00 0.00 H new ATOM 1003 N ARG A 67 -17.699 -1.264 -1.776 1.00 0.00 N ATOM 1004 CA ARG A 67 -17.675 -2.660 -1.255 1.00 0.00 C ATOM 1005 C ARG A 67 -16.616 -3.477 -2.002 1.00 0.00 C ATOM 1006 O ARG A 67 -15.885 -4.248 -1.412 1.00 0.00 O ATOM 1007 CB ARG A 67 -19.048 -3.301 -1.460 1.00 0.00 C ATOM 1008 CG ARG A 67 -19.146 -4.577 -0.623 1.00 0.00 C ATOM 1009 CD ARG A 67 -20.506 -4.626 0.076 1.00 0.00 C ATOM 1010 NE ARG A 67 -20.424 -5.529 1.258 1.00 0.00 N ATOM 1011 CZ ARG A 67 -21.273 -6.512 1.389 1.00 0.00 C ATOM 1012 NH1 ARG A 67 -21.647 -7.194 0.341 1.00 0.00 N ATOM 1013 NH2 ARG A 67 -21.746 -6.813 2.567 1.00 0.00 N ATOM 0 H ARG A 67 -18.629 -0.872 -1.920 1.00 0.00 H new ATOM 0 HA ARG A 67 -17.431 -2.643 -0.193 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -19.834 -2.603 -1.171 1.00 0.00 H new ATOM 0 HB3 ARG A 67 -19.199 -3.533 -2.514 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -19.021 -5.453 -1.260 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -18.345 -4.603 0.115 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -20.802 -3.625 0.389 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -21.270 -4.983 -0.615 1.00 0.00 H new ATOM 0 HE ARG A 67 -19.704 -5.379 1.965 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -21.276 -6.959 -0.580 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -22.310 -7.962 0.443 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -21.452 -6.280 3.386 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -22.409 -7.581 2.669 1.00 0.00 H new ATOM 1027 N ALA A 68 -16.534 -3.323 -3.295 1.00 0.00 N ATOM 1028 CA ALA A 68 -15.534 -4.094 -4.079 1.00 0.00 C ATOM 1029 C ALA A 68 -14.122 -3.813 -3.555 1.00 0.00 C ATOM 1030 O ALA A 68 -13.325 -4.712 -3.378 1.00 0.00 O ATOM 1031 CB ALA A 68 -15.618 -3.687 -5.551 1.00 0.00 C ATOM 0 H ALA A 68 -17.120 -2.693 -3.843 1.00 0.00 H new ATOM 0 HA ALA A 68 -15.747 -5.158 -3.977 1.00 0.00 H new ATOM 0 HB1 ALA A 68 -14.885 -4.252 -6.127 1.00 0.00 H new ATOM 0 HB2 ALA A 68 -16.618 -3.898 -5.930 1.00 0.00 H new ATOM 0 HB3 ALA A 68 -15.411 -2.621 -5.646 1.00 0.00 H new ATOM 1037 N ASP A 69 -13.805 -2.570 -3.312 1.00 0.00 N ATOM 1038 CA ASP A 69 -12.442 -2.230 -2.808 1.00 0.00 C ATOM 1039 C ASP A 69 -12.067 -3.161 -1.653 1.00 0.00 C ATOM 1040 O ASP A 69 -10.905 -3.371 -1.366 1.00 0.00 O ATOM 1041 CB ASP A 69 -12.429 -0.780 -2.318 1.00 0.00 C ATOM 1042 CG ASP A 69 -12.013 0.143 -3.465 1.00 0.00 C ATOM 1043 OD1 ASP A 69 -12.577 0.012 -4.539 1.00 0.00 O ATOM 1044 OD2 ASP A 69 -11.137 0.964 -3.250 1.00 0.00 O ATOM 0 H ASP A 69 -14.431 -1.775 -3.440 1.00 0.00 H new ATOM 0 HA ASP A 69 -11.720 -2.352 -3.615 1.00 0.00 H new ATOM 0 HB2 ASP A 69 -13.417 -0.500 -1.952 1.00 0.00 H new ATOM 0 HB3 ASP A 69 -11.737 -0.674 -1.482 1.00 0.00 H new ATOM 1049 N SER A 70 -13.039 -3.718 -0.984 1.00 0.00 N ATOM 1050 CA SER A 70 -12.734 -4.631 0.155 1.00 0.00 C ATOM 1051 C SER A 70 -11.778 -5.732 -0.310 1.00 0.00 C ATOM 1052 O SER A 70 -12.192 -6.735 -0.857 1.00 0.00 O ATOM 1053 CB SER A 70 -14.031 -5.263 0.661 1.00 0.00 C ATOM 1054 OG SER A 70 -13.728 -6.469 1.350 1.00 0.00 O ATOM 0 H SER A 70 -14.031 -3.581 -1.176 1.00 0.00 H new ATOM 0 HA SER A 70 -12.267 -4.063 0.959 1.00 0.00 H new ATOM 0 HB2 SER A 70 -14.551 -4.572 1.325 1.00 0.00 H new ATOM 0 HB3 SER A 70 -14.700 -5.466 -0.175 1.00 0.00 H new ATOM 0 HG SER A 70 -14.557 -6.876 1.677 1.00 0.00 H new ATOM 1060 N GLY A 71 -10.502 -5.556 -0.095 1.00 0.00 N ATOM 1061 CA GLY A 71 -9.527 -6.597 -0.526 1.00 0.00 C ATOM 1062 C GLY A 71 -8.324 -6.612 0.422 1.00 0.00 C ATOM 1063 O GLY A 71 -8.273 -5.885 1.398 1.00 0.00 O ATOM 0 H GLY A 71 -10.094 -4.739 0.359 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -10.007 -7.576 -0.533 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -9.195 -6.397 -1.545 1.00 0.00 H new ATOM 1067 N ASN A 72 -7.349 -7.430 0.132 1.00 0.00 N ATOM 1068 CA ASN A 72 -6.140 -7.494 1.002 1.00 0.00 C ATOM 1069 C ASN A 72 -5.024 -6.702 0.331 1.00 0.00 C ATOM 1070 O ASN A 72 -4.277 -7.224 -0.468 1.00 0.00 O ATOM 1071 CB ASN A 72 -5.705 -8.951 1.173 1.00 0.00 C ATOM 1072 CG ASN A 72 -5.512 -9.255 2.660 1.00 0.00 C ATOM 1073 OD1 ASN A 72 -6.329 -9.918 3.268 1.00 0.00 O ATOM 1074 ND2 ASN A 72 -4.457 -8.796 3.276 1.00 0.00 N ATOM 0 H ASN A 72 -7.338 -8.058 -0.672 1.00 0.00 H new ATOM 0 HA ASN A 72 -6.361 -7.075 1.984 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -6.456 -9.618 0.749 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -4.777 -9.130 0.631 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -4.319 -8.994 4.267 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -3.771 -8.239 2.766 1.00 0.00 H new ATOM 1081 N TYR A 73 -4.910 -5.443 0.638 1.00 0.00 N ATOM 1082 CA TYR A 73 -3.854 -4.619 -0.006 1.00 0.00 C ATOM 1083 C TYR A 73 -2.490 -4.960 0.587 1.00 0.00 C ATOM 1084 O TYR A 73 -2.209 -4.678 1.731 1.00 0.00 O ATOM 1085 CB TYR A 73 -4.172 -3.138 0.209 1.00 0.00 C ATOM 1086 CG TYR A 73 -5.321 -2.749 -0.694 1.00 0.00 C ATOM 1087 CD1 TYR A 73 -6.542 -3.432 -0.610 1.00 0.00 C ATOM 1088 CD2 TYR A 73 -5.165 -1.714 -1.622 1.00 0.00 C ATOM 1089 CE1 TYR A 73 -7.603 -3.080 -1.452 1.00 0.00 C ATOM 1090 CE2 TYR A 73 -6.226 -1.363 -2.466 1.00 0.00 C ATOM 1091 CZ TYR A 73 -7.445 -2.045 -2.380 1.00 0.00 C ATOM 1092 OH TYR A 73 -8.491 -1.699 -3.211 1.00 0.00 O ATOM 0 H TYR A 73 -5.502 -4.949 1.306 1.00 0.00 H new ATOM 0 HA TYR A 73 -3.827 -4.830 -1.075 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -4.433 -2.956 1.251 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -3.296 -2.528 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 73 -6.664 -4.231 0.106 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -4.226 -1.185 -1.688 1.00 0.00 H new ATOM 0 HE1 TYR A 73 -8.543 -3.607 -1.385 1.00 0.00 H new ATOM 0 HE2 TYR A 73 -6.103 -0.565 -3.184 1.00 0.00 H new ATOM 0 HH TYR A 73 -9.342 -1.881 -2.760 1.00 0.00 H new ATOM 1102 N LYS A 74 -1.640 -5.568 -0.190 1.00 0.00 N ATOM 1103 CA LYS A 74 -0.289 -5.929 0.319 1.00 0.00 C ATOM 1104 C LYS A 74 0.759 -5.082 -0.402 1.00 0.00 C ATOM 1105 O LYS A 74 0.856 -5.097 -1.613 1.00 0.00 O ATOM 1106 CB LYS A 74 -0.021 -7.411 0.050 1.00 0.00 C ATOM 1107 CG LYS A 74 1.384 -7.772 0.536 1.00 0.00 C ATOM 1108 CD LYS A 74 1.333 -9.082 1.325 1.00 0.00 C ATOM 1109 CE LYS A 74 0.942 -10.226 0.389 1.00 0.00 C ATOM 1110 NZ LYS A 74 2.100 -10.573 -0.483 1.00 0.00 N ATOM 0 H LYS A 74 -1.823 -5.831 -1.158 1.00 0.00 H new ATOM 0 HA LYS A 74 -0.238 -5.743 1.392 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.763 -8.024 0.561 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -0.114 -7.621 -1.016 1.00 0.00 H new ATOM 0 HG2 LYS A 74 2.059 -7.874 -0.314 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.779 -6.973 1.163 1.00 0.00 H new ATOM 0 HD2 LYS A 74 2.304 -9.284 1.778 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.612 -9.001 2.139 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.637 -11.097 0.969 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.088 -9.934 -0.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 1.917 -11.480 -0.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 2.233 -9.828 -1.197 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 2.959 -10.654 0.097 1.00 0.00 H new ATOM 1124 N LEU A 75 1.544 -4.341 0.328 1.00 0.00 N ATOM 1125 CA LEU A 75 2.582 -3.499 -0.325 1.00 0.00 C ATOM 1126 C LEU A 75 3.957 -4.116 -0.061 1.00 0.00 C ATOM 1127 O LEU A 75 4.215 -4.646 1.001 1.00 0.00 O ATOM 1128 CB LEU A 75 2.513 -2.077 0.247 1.00 0.00 C ATOM 1129 CG LEU A 75 3.804 -1.315 -0.064 1.00 0.00 C ATOM 1130 CD1 LEU A 75 3.489 -0.090 -0.917 1.00 0.00 C ATOM 1131 CD2 LEU A 75 4.447 -0.864 1.248 1.00 0.00 C ATOM 0 H LEU A 75 1.512 -4.282 1.346 1.00 0.00 H new ATOM 0 HA LEU A 75 2.412 -3.453 -1.401 1.00 0.00 H new ATOM 0 HB2 LEU A 75 1.660 -1.548 -0.177 1.00 0.00 H new ATOM 0 HB3 LEU A 75 2.358 -2.119 1.325 1.00 0.00 H new ATOM 0 HG LEU A 75 4.487 -1.967 -0.609 1.00 0.00 H new ATOM 0 HD11 LEU A 75 4.411 0.448 -1.135 1.00 0.00 H new ATOM 0 HD12 LEU A 75 3.024 -0.407 -1.851 1.00 0.00 H new ATOM 0 HD13 LEU A 75 2.806 0.565 -0.375 1.00 0.00 H new ATOM 0 HD21 LEU A 75 5.367 -0.320 1.034 1.00 0.00 H new ATOM 0 HD22 LEU A 75 3.758 -0.213 1.786 1.00 0.00 H new ATOM 0 HD23 LEU A 75 4.675 -1.737 1.860 1.00 0.00 H new ATOM 1143 N LYS A 76 4.839 -4.062 -1.020 1.00 0.00 N ATOM 1144 CA LYS A 76 6.190 -4.656 -0.817 1.00 0.00 C ATOM 1145 C LYS A 76 7.251 -3.767 -1.469 1.00 0.00 C ATOM 1146 O LYS A 76 7.328 -3.665 -2.678 1.00 0.00 O ATOM 1147 CB LYS A 76 6.231 -6.047 -1.452 1.00 0.00 C ATOM 1148 CG LYS A 76 4.887 -6.744 -1.240 1.00 0.00 C ATOM 1149 CD LYS A 76 4.986 -8.199 -1.702 1.00 0.00 C ATOM 1150 CE LYS A 76 5.561 -8.247 -3.120 1.00 0.00 C ATOM 1151 NZ LYS A 76 5.713 -9.666 -3.546 1.00 0.00 N ATOM 0 H LYS A 76 4.684 -3.634 -1.933 1.00 0.00 H new ATOM 0 HA LYS A 76 6.394 -4.733 0.251 1.00 0.00 H new ATOM 0 HB2 LYS A 76 6.447 -5.966 -2.517 1.00 0.00 H new ATOM 0 HB3 LYS A 76 7.033 -6.637 -1.009 1.00 0.00 H new ATOM 0 HG2 LYS A 76 4.607 -6.704 -0.187 1.00 0.00 H new ATOM 0 HG3 LYS A 76 4.106 -6.227 -1.797 1.00 0.00 H new ATOM 0 HD2 LYS A 76 5.622 -8.765 -1.021 1.00 0.00 H new ATOM 0 HD3 LYS A 76 4.001 -8.666 -1.682 1.00 0.00 H new ATOM 0 HE2 LYS A 76 4.903 -7.718 -3.809 1.00 0.00 H new ATOM 0 HE3 LYS A 76 6.526 -7.742 -3.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 6.104 -9.699 -4.509 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 6.357 -10.157 -2.894 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 4.784 -10.134 -3.533 1.00 0.00 H new ATOM 1165 N VAL A 77 8.076 -3.130 -0.681 1.00 0.00 N ATOM 1166 CA VAL A 77 9.134 -2.261 -1.267 1.00 0.00 C ATOM 1167 C VAL A 77 10.496 -2.930 -1.079 1.00 0.00 C ATOM 1168 O VAL A 77 10.882 -3.285 0.017 1.00 0.00 O ATOM 1169 CB VAL A 77 9.114 -0.885 -0.589 1.00 0.00 C ATOM 1170 CG1 VAL A 77 7.667 -0.486 -0.322 1.00 0.00 C ATOM 1171 CG2 VAL A 77 9.879 -0.926 0.738 1.00 0.00 C ATOM 0 H VAL A 77 8.062 -3.174 0.338 1.00 0.00 H new ATOM 0 HA VAL A 77 8.948 -2.123 -2.332 1.00 0.00 H new ATOM 0 HB VAL A 77 9.593 -0.159 -1.246 1.00 0.00 H new ATOM 0 HG11 VAL A 77 7.642 0.491 0.160 1.00 0.00 H new ATOM 0 HG12 VAL A 77 7.122 -0.439 -1.265 1.00 0.00 H new ATOM 0 HG13 VAL A 77 7.200 -1.224 0.330 1.00 0.00 H new ATOM 0 HG21 VAL A 77 9.853 0.059 1.203 1.00 0.00 H new ATOM 0 HG22 VAL A 77 9.415 -1.654 1.403 1.00 0.00 H new ATOM 0 HG23 VAL A 77 10.914 -1.213 0.553 1.00 0.00 H new ATOM 1181 N LYS A 78 11.218 -3.111 -2.145 1.00 0.00 N ATOM 1182 CA LYS A 78 12.553 -3.768 -2.041 1.00 0.00 C ATOM 1183 C LYS A 78 13.647 -2.790 -2.475 1.00 0.00 C ATOM 1184 O LYS A 78 13.378 -1.766 -3.070 1.00 0.00 O ATOM 1185 CB LYS A 78 12.583 -5.001 -2.947 1.00 0.00 C ATOM 1186 CG LYS A 78 14.020 -5.514 -3.066 1.00 0.00 C ATOM 1187 CD LYS A 78 14.032 -6.826 -3.852 1.00 0.00 C ATOM 1188 CE LYS A 78 14.718 -6.607 -5.202 1.00 0.00 C ATOM 1189 NZ LYS A 78 13.894 -5.684 -6.033 1.00 0.00 N ATOM 0 H LYS A 78 10.944 -2.833 -3.087 1.00 0.00 H new ATOM 0 HA LYS A 78 12.728 -4.067 -1.008 1.00 0.00 H new ATOM 0 HB2 LYS A 78 11.940 -5.781 -2.539 1.00 0.00 H new ATOM 0 HB3 LYS A 78 12.193 -4.750 -3.933 1.00 0.00 H new ATOM 0 HG2 LYS A 78 14.642 -4.772 -3.567 1.00 0.00 H new ATOM 0 HG3 LYS A 78 14.445 -5.668 -2.074 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.557 -7.596 -3.286 1.00 0.00 H new ATOM 0 HD3 LYS A 78 13.013 -7.181 -4.004 1.00 0.00 H new ATOM 0 HE2 LYS A 78 15.713 -6.189 -5.053 1.00 0.00 H new ATOM 0 HE3 LYS A 78 14.846 -7.560 -5.716 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 14.295 -5.627 -6.991 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 12.919 -6.042 -6.087 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 13.892 -4.737 -5.602 1.00 0.00 H new ATOM 1203 N ASN A 79 14.880 -3.100 -2.181 1.00 0.00 N ATOM 1204 CA ASN A 79 15.993 -2.192 -2.576 1.00 0.00 C ATOM 1205 C ASN A 79 17.291 -2.996 -2.684 1.00 0.00 C ATOM 1206 O ASN A 79 17.928 -3.299 -1.697 1.00 0.00 O ATOM 1207 CB ASN A 79 16.159 -1.097 -1.520 1.00 0.00 C ATOM 1208 CG ASN A 79 16.952 0.070 -2.113 1.00 0.00 C ATOM 1209 OD1 ASN A 79 16.402 1.118 -2.383 1.00 0.00 O ATOM 1210 ND2 ASN A 79 18.233 -0.068 -2.326 1.00 0.00 N ATOM 0 H ASN A 79 15.165 -3.944 -1.684 1.00 0.00 H new ATOM 0 HA ASN A 79 15.765 -1.736 -3.539 1.00 0.00 H new ATOM 0 HB2 ASN A 79 15.182 -0.752 -1.182 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.676 -1.495 -0.647 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.771 0.705 -2.719 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.696 -0.948 -2.099 1.00 0.00 H new ATOM 1217 N GLU A 80 17.687 -3.339 -3.879 1.00 0.00 N ATOM 1218 CA GLU A 80 18.943 -4.120 -4.057 1.00 0.00 C ATOM 1219 C GLU A 80 18.937 -5.337 -3.126 1.00 0.00 C ATOM 1220 O GLU A 80 18.492 -6.405 -3.495 1.00 0.00 O ATOM 1221 CB GLU A 80 20.139 -3.226 -3.735 1.00 0.00 C ATOM 1222 CG GLU A 80 20.866 -2.862 -5.031 1.00 0.00 C ATOM 1223 CD GLU A 80 22.366 -2.741 -4.759 1.00 0.00 C ATOM 1224 OE1 GLU A 80 22.721 -2.438 -3.632 1.00 0.00 O ATOM 1225 OE2 GLU A 80 23.135 -2.955 -5.683 1.00 0.00 O ATOM 0 H GLU A 80 17.193 -3.111 -4.742 1.00 0.00 H new ATOM 0 HA GLU A 80 19.013 -4.467 -5.088 1.00 0.00 H new ATOM 0 HB2 GLU A 80 19.804 -2.322 -3.227 1.00 0.00 H new ATOM 0 HB3 GLU A 80 20.819 -3.740 -3.056 1.00 0.00 H new ATOM 0 HG2 GLU A 80 20.684 -3.624 -5.789 1.00 0.00 H new ATOM 0 HG3 GLU A 80 20.480 -1.922 -5.425 1.00 0.00 H new ATOM 1232 N LEU A 81 19.429 -5.190 -1.924 1.00 0.00 N ATOM 1233 CA LEU A 81 19.447 -6.349 -0.985 1.00 0.00 C ATOM 1234 C LEU A 81 18.536 -6.062 0.205 1.00 0.00 C ATOM 1235 O LEU A 81 18.009 -6.960 0.831 1.00 0.00 O ATOM 1236 CB LEU A 81 20.875 -6.587 -0.490 1.00 0.00 C ATOM 1237 CG LEU A 81 21.574 -7.588 -1.412 1.00 0.00 C ATOM 1238 CD1 LEU A 81 22.380 -6.831 -2.469 1.00 0.00 C ATOM 1239 CD2 LEU A 81 22.515 -8.469 -0.588 1.00 0.00 C ATOM 0 H LEU A 81 19.817 -4.322 -1.554 1.00 0.00 H new ATOM 0 HA LEU A 81 19.091 -7.238 -1.506 1.00 0.00 H new ATOM 0 HB2 LEU A 81 21.426 -5.647 -0.472 1.00 0.00 H new ATOM 0 HB3 LEU A 81 20.859 -6.967 0.531 1.00 0.00 H new ATOM 0 HG LEU A 81 20.828 -8.213 -1.903 1.00 0.00 H new ATOM 0 HD11 LEU A 81 22.878 -7.544 -3.126 1.00 0.00 H new ATOM 0 HD12 LEU A 81 21.710 -6.203 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 81 23.127 -6.206 -1.979 1.00 0.00 H new ATOM 0 HD21 LEU A 81 23.013 -9.182 -1.244 1.00 0.00 H new ATOM 0 HD22 LEU A 81 23.262 -7.845 -0.097 1.00 0.00 H new ATOM 0 HD23 LEU A 81 21.941 -9.009 0.166 1.00 0.00 H new ATOM 1251 N GLY A 82 18.343 -4.817 0.513 1.00 0.00 N ATOM 1252 CA GLY A 82 17.459 -4.459 1.658 1.00 0.00 C ATOM 1253 C GLY A 82 16.001 -4.630 1.235 1.00 0.00 C ATOM 1254 O GLY A 82 15.540 -4.004 0.302 1.00 0.00 O ATOM 0 H GLY A 82 18.759 -4.025 0.022 1.00 0.00 H new ATOM 0 HA2 GLY A 82 17.679 -5.094 2.516 1.00 0.00 H new ATOM 0 HA3 GLY A 82 17.643 -3.430 1.968 1.00 0.00 H new ATOM 1258 N GLU A 83 15.272 -5.481 1.904 1.00 0.00 N ATOM 1259 CA GLU A 83 13.849 -5.693 1.522 1.00 0.00 C ATOM 1260 C GLU A 83 12.931 -5.353 2.697 1.00 0.00 C ATOM 1261 O GLU A 83 13.229 -5.640 3.839 1.00 0.00 O ATOM 1262 CB GLU A 83 13.642 -7.156 1.127 1.00 0.00 C ATOM 1263 CG GLU A 83 13.940 -8.054 2.329 1.00 0.00 C ATOM 1264 CD GLU A 83 13.709 -9.516 1.944 1.00 0.00 C ATOM 1265 OE1 GLU A 83 12.905 -9.756 1.059 1.00 0.00 O ATOM 1266 OE2 GLU A 83 14.340 -10.372 2.542 1.00 0.00 O ATOM 0 H GLU A 83 15.599 -6.036 2.695 1.00 0.00 H new ATOM 0 HA GLU A 83 13.607 -5.044 0.681 1.00 0.00 H new ATOM 0 HB2 GLU A 83 12.618 -7.311 0.788 1.00 0.00 H new ATOM 0 HB3 GLU A 83 14.296 -7.415 0.294 1.00 0.00 H new ATOM 0 HG2 GLU A 83 14.970 -7.912 2.656 1.00 0.00 H new ATOM 0 HG3 GLU A 83 13.299 -7.782 3.167 1.00 0.00 H new ATOM 1273 N ASP A 84 11.809 -4.751 2.415 1.00 0.00 N ATOM 1274 CA ASP A 84 10.850 -4.393 3.495 1.00 0.00 C ATOM 1275 C ASP A 84 9.451 -4.292 2.887 1.00 0.00 C ATOM 1276 O ASP A 84 9.292 -3.928 1.739 1.00 0.00 O ATOM 1277 CB ASP A 84 11.245 -3.050 4.110 1.00 0.00 C ATOM 1278 CG ASP A 84 11.979 -3.290 5.430 1.00 0.00 C ATOM 1279 OD1 ASP A 84 13.039 -3.894 5.395 1.00 0.00 O ATOM 1280 OD2 ASP A 84 11.469 -2.867 6.454 1.00 0.00 O ATOM 0 H ASP A 84 11.514 -4.490 1.474 1.00 0.00 H new ATOM 0 HA ASP A 84 10.863 -5.154 4.275 1.00 0.00 H new ATOM 0 HB2 ASP A 84 11.884 -2.497 3.422 1.00 0.00 H new ATOM 0 HB3 ASP A 84 10.357 -2.441 4.281 1.00 0.00 H new ATOM 1285 N GLU A 85 8.433 -4.617 3.635 1.00 0.00 N ATOM 1286 CA GLU A 85 7.056 -4.542 3.073 1.00 0.00 C ATOM 1287 C GLU A 85 6.051 -4.269 4.192 1.00 0.00 C ATOM 1288 O GLU A 85 6.376 -4.323 5.362 1.00 0.00 O ATOM 1289 CB GLU A 85 6.713 -5.872 2.398 1.00 0.00 C ATOM 1290 CG GLU A 85 7.913 -6.357 1.581 1.00 0.00 C ATOM 1291 CD GLU A 85 7.604 -7.732 0.986 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.451 -8.129 1.029 1.00 0.00 O ATOM 1293 OE2 GLU A 85 8.526 -8.364 0.498 1.00 0.00 O ATOM 0 H GLU A 85 8.494 -4.929 4.604 1.00 0.00 H new ATOM 0 HA GLU A 85 7.009 -3.733 2.344 1.00 0.00 H new ATOM 0 HB2 GLU A 85 6.448 -6.615 3.150 1.00 0.00 H new ATOM 0 HB3 GLU A 85 5.845 -5.750 1.750 1.00 0.00 H new ATOM 0 HG2 GLU A 85 8.135 -5.646 0.785 1.00 0.00 H new ATOM 0 HG3 GLU A 85 8.798 -6.414 2.214 1.00 0.00 H new ATOM 1300 N ALA A 86 4.830 -3.980 3.838 1.00 0.00 N ATOM 1301 CA ALA A 86 3.797 -3.705 4.873 1.00 0.00 C ATOM 1302 C ALA A 86 2.465 -4.323 4.438 1.00 0.00 C ATOM 1303 O ALA A 86 2.073 -4.238 3.289 1.00 0.00 O ATOM 1304 CB ALA A 86 3.630 -2.193 5.037 1.00 0.00 C ATOM 0 H ALA A 86 4.503 -3.922 2.874 1.00 0.00 H new ATOM 0 HA ALA A 86 4.107 -4.140 5.823 1.00 0.00 H new ATOM 0 HB1 ALA A 86 2.873 -1.991 5.795 1.00 0.00 H new ATOM 0 HB2 ALA A 86 4.579 -1.753 5.345 1.00 0.00 H new ATOM 0 HB3 ALA A 86 3.319 -1.756 4.088 1.00 0.00 H new ATOM 1310 N ILE A 87 1.767 -4.945 5.349 1.00 0.00 N ATOM 1311 CA ILE A 87 0.461 -5.567 4.992 1.00 0.00 C ATOM 1312 C ILE A 87 -0.654 -4.535 5.165 1.00 0.00 C ATOM 1313 O ILE A 87 -0.608 -3.701 6.048 1.00 0.00 O ATOM 1314 CB ILE A 87 0.196 -6.762 5.910 1.00 0.00 C ATOM 1315 CG1 ILE A 87 -1.192 -7.334 5.611 1.00 0.00 C ATOM 1316 CG2 ILE A 87 0.255 -6.308 7.369 1.00 0.00 C ATOM 1317 CD1 ILE A 87 -1.472 -8.512 6.548 1.00 0.00 C ATOM 0 H ILE A 87 2.045 -5.049 6.325 1.00 0.00 H new ATOM 0 HA ILE A 87 0.489 -5.905 3.956 1.00 0.00 H new ATOM 0 HB ILE A 87 0.952 -7.528 5.737 1.00 0.00 H new ATOM 0 HG12 ILE A 87 -1.951 -6.563 5.743 1.00 0.00 H new ATOM 0 HG13 ILE A 87 -1.246 -7.661 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.066 -7.159 8.023 1.00 0.00 H new ATOM 0 HG22 ILE A 87 1.242 -5.898 7.583 1.00 0.00 H new ATOM 0 HG23 ILE A 87 -0.501 -5.542 7.543 1.00 0.00 H new ATOM 0 HD11 ILE A 87 -2.460 -8.919 6.335 1.00 0.00 H new ATOM 0 HD12 ILE A 87 -0.720 -9.286 6.394 1.00 0.00 H new ATOM 0 HD13 ILE A 87 -1.435 -8.171 7.583 1.00 0.00 H new ATOM 1329 N PHE A 88 -1.655 -4.582 4.332 1.00 0.00 N ATOM 1330 CA PHE A 88 -2.771 -3.602 4.455 1.00 0.00 C ATOM 1331 C PHE A 88 -4.098 -4.280 4.104 1.00 0.00 C ATOM 1332 O PHE A 88 -4.532 -4.266 2.968 1.00 0.00 O ATOM 1333 CB PHE A 88 -2.548 -2.426 3.498 1.00 0.00 C ATOM 1334 CG PHE A 88 -1.220 -1.765 3.781 1.00 0.00 C ATOM 1335 CD1 PHE A 88 -0.036 -2.330 3.291 1.00 0.00 C ATOM 1336 CD2 PHE A 88 -1.175 -0.580 4.524 1.00 0.00 C ATOM 1337 CE1 PHE A 88 1.192 -1.709 3.546 1.00 0.00 C ATOM 1338 CE2 PHE A 88 0.054 0.041 4.778 1.00 0.00 C ATOM 1339 CZ PHE A 88 1.237 -0.523 4.289 1.00 0.00 C ATOM 0 H PHE A 88 -1.749 -5.256 3.572 1.00 0.00 H new ATOM 0 HA PHE A 88 -2.801 -3.237 5.482 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -2.575 -2.778 2.467 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.354 -1.701 3.608 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -0.071 -3.244 2.717 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -2.088 -0.144 4.902 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.106 -2.145 3.169 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.089 0.955 5.351 1.00 0.00 H new ATOM 0 HZ PHE A 88 2.185 -0.044 4.484 1.00 0.00 H new ATOM 1349 N GLU A 89 -4.762 -4.852 5.071 1.00 0.00 N ATOM 1350 CA GLU A 89 -6.071 -5.500 4.783 1.00 0.00 C ATOM 1351 C GLU A 89 -7.117 -4.394 4.688 1.00 0.00 C ATOM 1352 O GLU A 89 -7.469 -3.775 5.671 1.00 0.00 O ATOM 1353 CB GLU A 89 -6.434 -6.462 5.917 1.00 0.00 C ATOM 1354 CG GLU A 89 -7.187 -7.664 5.345 1.00 0.00 C ATOM 1355 CD GLU A 89 -6.962 -8.882 6.243 1.00 0.00 C ATOM 1356 OE1 GLU A 89 -6.550 -8.690 7.376 1.00 0.00 O ATOM 1357 OE2 GLU A 89 -7.205 -9.986 5.783 1.00 0.00 O ATOM 0 H GLU A 89 -4.456 -4.898 6.043 1.00 0.00 H new ATOM 0 HA GLU A 89 -6.024 -6.067 3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -5.531 -6.795 6.429 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -7.050 -5.952 6.657 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -8.252 -7.441 5.277 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -6.841 -7.876 4.333 1.00 0.00 H new ATOM 1364 N VAL A 90 -7.590 -4.109 3.508 1.00 0.00 N ATOM 1365 CA VAL A 90 -8.576 -3.006 3.362 1.00 0.00 C ATOM 1366 C VAL A 90 -9.990 -3.557 3.203 1.00 0.00 C ATOM 1367 O VAL A 90 -10.254 -4.397 2.368 1.00 0.00 O ATOM 1368 CB VAL A 90 -8.215 -2.177 2.130 1.00 0.00 C ATOM 1369 CG1 VAL A 90 -8.949 -0.838 2.184 1.00 0.00 C ATOM 1370 CG2 VAL A 90 -6.705 -1.927 2.109 1.00 0.00 C ATOM 0 H VAL A 90 -7.338 -4.589 2.644 1.00 0.00 H new ATOM 0 HA VAL A 90 -8.546 -2.387 4.259 1.00 0.00 H new ATOM 0 HB VAL A 90 -8.508 -2.718 1.230 1.00 0.00 H new ATOM 0 HG11 VAL A 90 -8.692 -0.246 1.305 1.00 0.00 H new ATOM 0 HG12 VAL A 90 -10.025 -1.013 2.201 1.00 0.00 H new ATOM 0 HG13 VAL A 90 -8.655 -0.298 3.084 1.00 0.00 H new ATOM 0 HG21 VAL A 90 -6.446 -1.336 1.231 1.00 0.00 H new ATOM 0 HG22 VAL A 90 -6.413 -1.386 3.009 1.00 0.00 H new ATOM 0 HG23 VAL A 90 -6.179 -2.881 2.072 1.00 0.00 H new ATOM 1380 N ILE A 91 -10.907 -3.067 3.990 1.00 0.00 N ATOM 1381 CA ILE A 91 -12.313 -3.537 3.874 1.00 0.00 C ATOM 1382 C ILE A 91 -13.208 -2.337 3.563 1.00 0.00 C ATOM 1383 O ILE A 91 -12.795 -1.200 3.679 1.00 0.00 O ATOM 1384 CB ILE A 91 -12.765 -4.177 5.183 1.00 0.00 C ATOM 1385 CG1 ILE A 91 -11.923 -5.425 5.462 1.00 0.00 C ATOM 1386 CG2 ILE A 91 -14.235 -4.569 5.056 1.00 0.00 C ATOM 1387 CD1 ILE A 91 -11.937 -6.336 4.234 1.00 0.00 C ATOM 0 H ILE A 91 -10.742 -2.362 4.708 1.00 0.00 H new ATOM 0 HA ILE A 91 -12.382 -4.278 3.077 1.00 0.00 H new ATOM 0 HB ILE A 91 -12.639 -3.471 6.004 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -10.899 -5.139 5.704 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -12.318 -5.957 6.327 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -14.571 -5.028 5.986 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -14.832 -3.680 4.854 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -14.353 -5.279 4.238 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -11.337 -7.224 4.433 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -12.962 -6.632 4.013 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -11.521 -5.802 3.380 1.00 0.00 H new ATOM 1399 N VAL A 92 -14.425 -2.573 3.159 1.00 0.00 N ATOM 1400 CA VAL A 92 -15.324 -1.434 2.834 1.00 0.00 C ATOM 1401 C VAL A 92 -16.699 -1.654 3.464 1.00 0.00 C ATOM 1402 O VAL A 92 -17.267 -2.724 3.384 1.00 0.00 O ATOM 1403 CB VAL A 92 -15.457 -1.325 1.319 1.00 0.00 C ATOM 1404 CG1 VAL A 92 -16.104 0.012 0.952 1.00 0.00 C ATOM 1405 CG2 VAL A 92 -14.063 -1.410 0.698 1.00 0.00 C ATOM 0 H VAL A 92 -14.833 -3.500 3.041 1.00 0.00 H new ATOM 0 HA VAL A 92 -14.903 -0.511 3.233 1.00 0.00 H new ATOM 0 HB VAL A 92 -16.082 -2.135 0.942 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -16.197 0.086 -0.131 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -17.093 0.075 1.406 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -15.484 0.829 1.319 1.00 0.00 H new ATOM 0 HG21 VAL A 92 -14.142 -1.333 -0.386 1.00 0.00 H new ATOM 0 HG22 VAL A 92 -13.446 -0.594 1.075 1.00 0.00 H new ATOM 0 HG23 VAL A 92 -13.605 -2.363 0.962 1.00 0.00 H new ATOM 1415 N GLN A 93 -17.237 -0.643 4.090 1.00 0.00 N ATOM 1416 CA GLN A 93 -18.576 -0.786 4.728 1.00 0.00 C ATOM 1417 C GLN A 93 -19.609 0.009 3.927 1.00 0.00 C ATOM 1418 O GLN A 93 -20.463 -0.613 3.316 1.00 0.00 O ATOM 1419 CB GLN A 93 -18.518 -0.252 6.161 1.00 0.00 C ATOM 1420 CG GLN A 93 -19.917 -0.294 6.780 1.00 0.00 C ATOM 1421 CD GLN A 93 -20.033 -1.516 7.693 1.00 0.00 C ATOM 1422 OE1 GLN A 93 -19.419 -2.535 7.445 1.00 0.00 O ATOM 1423 NE2 GLN A 93 -20.801 -1.458 8.746 1.00 0.00 N ATOM 1424 OXT GLN A 93 -19.529 1.227 3.938 1.00 0.00 O ATOM 0 H GLN A 93 -16.806 0.277 4.187 1.00 0.00 H new ATOM 0 HA GLN A 93 -18.861 -1.838 4.745 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -17.828 -0.851 6.756 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -18.138 0.770 6.164 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -20.102 0.617 7.349 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -20.672 -0.340 5.996 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -21.317 -0.603 8.955 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -20.886 -2.268 9.361 1.00 0.00 H new TER 1433 GLN A 93