USER MOD reduce.3.24.130724 H: found=0, std=0, add=622, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 621 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 Set 1.1: A 53 ASN : amide:sc= -1.46! C(o=-1!,f=-11!) USER MOD Set 1.2: A 55 SER OG : rot 88:sc= 0.462 USER MOD Set 2.1: A 36 SER OG : rot 180:sc= 0.0507 USER MOD Set 2.2: A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET CE :methyl -160:sc= -1.92! (180deg=-3.5!) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 HIS :FLIP no HD1:sc= -1.4 F(o=-2.7!,f=-1.4) USER MOD Single : A 7 THR OG1 : rot 44:sc= 0.076 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot -29:sc= 0.308 USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot -82:sc= 0.00405 USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.179 K(o=-0.18,f=-2.1!) USER MOD Single : A 33 SER OG : rot -72:sc= 0.141 USER MOD Single : A 44 THR OG1 : rot -73:sc= 0.871 USER MOD Single : A 45 LYS NZ :NH3+ -160:sc= 0.0407 (180deg=-0.612) USER MOD Single : A 46 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.573) USER MOD Single : A 57 LYS NZ :NH3+ -145:sc= -0.45 (180deg=-2.7!) USER MOD Single : A 58 GLN : amide:sc= -0.0685 X(o=-0.069,f=-0.47) USER MOD Single : A 60 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 63 MET CE :methyl -155:sc= -1.49 (180deg=-3.9) USER MOD Single : A 65 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= -0.949! USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0.0571 USER MOD Single : A 76 LYS NZ :NH3+ 163:sc=-0.00793 (180deg=-0.142) USER MOD Single : A 77 ASN : amide:sc= -0.33 K(o=-0.33,f=-3!) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 72.457 -17.518 0.659 1.00 0.00 N ATOM 2 CA MET A 1 71.517 -17.687 -0.486 1.00 0.00 C ATOM 3 C MET A 1 70.417 -18.678 -0.099 1.00 0.00 C ATOM 4 O MET A 1 69.279 -18.307 0.106 1.00 0.00 O ATOM 5 CB MET A 1 72.282 -18.222 -1.698 1.00 0.00 C ATOM 6 CG MET A 1 71.323 -18.375 -2.880 1.00 0.00 C ATOM 7 SD MET A 1 71.532 -16.977 -4.011 1.00 0.00 S ATOM 8 CE MET A 1 70.844 -15.703 -2.925 1.00 0.00 C ATOM 0 H1 MET A 1 73.205 -16.845 0.397 1.00 0.00 H new ATOM 0 H2 MET A 1 71.938 -17.155 1.484 1.00 0.00 H new ATOM 0 H3 MET A 1 72.885 -18.436 0.895 1.00 0.00 H new ATOM 0 HA MET A 1 71.069 -16.725 -0.735 1.00 0.00 H new ATOM 0 HB2 MET A 1 73.092 -17.541 -1.959 1.00 0.00 H new ATOM 0 HB3 MET A 1 72.737 -19.183 -1.459 1.00 0.00 H new ATOM 0 HG2 MET A 1 71.519 -19.312 -3.402 1.00 0.00 H new ATOM 0 HG3 MET A 1 70.294 -18.418 -2.524 1.00 0.00 H new ATOM 0 HE1 MET A 1 70.544 -14.841 -3.520 1.00 0.00 H new ATOM 0 HE2 MET A 1 69.975 -16.102 -2.401 1.00 0.00 H new ATOM 0 HE3 MET A 1 71.597 -15.398 -2.199 1.00 0.00 H new ATOM 20 N ASP A 2 70.748 -19.936 0.002 1.00 0.00 N ATOM 21 CA ASP A 2 69.721 -20.949 0.376 1.00 0.00 C ATOM 22 C ASP A 2 69.813 -21.242 1.876 1.00 0.00 C ATOM 23 O ASP A 2 69.106 -22.081 2.398 1.00 0.00 O ATOM 24 CB ASP A 2 69.966 -22.238 -0.411 1.00 0.00 C ATOM 25 CG ASP A 2 69.938 -21.935 -1.910 1.00 0.00 C ATOM 26 OD1 ASP A 2 70.933 -21.439 -2.413 1.00 0.00 O ATOM 27 OD2 ASP A 2 68.922 -22.203 -2.530 1.00 0.00 O ATOM 0 H ASP A 2 71.685 -20.306 -0.158 1.00 0.00 H new ATOM 0 HA ASP A 2 68.729 -20.563 0.142 1.00 0.00 H new ATOM 0 HB2 ASP A 2 70.929 -22.668 -0.134 1.00 0.00 H new ATOM 0 HB3 ASP A 2 69.204 -22.977 -0.165 1.00 0.00 H new ATOM 32 N ARG A 3 70.679 -20.558 2.573 1.00 0.00 N ATOM 33 CA ARG A 3 70.815 -20.799 4.037 1.00 0.00 C ATOM 34 C ARG A 3 69.559 -20.303 4.756 1.00 0.00 C ATOM 35 O ARG A 3 69.534 -19.221 5.307 1.00 0.00 O ATOM 36 CB ARG A 3 72.036 -20.042 4.565 1.00 0.00 C ATOM 37 CG ARG A 3 72.635 -20.800 5.751 1.00 0.00 C ATOM 38 CD ARG A 3 74.095 -20.384 5.939 1.00 0.00 C ATOM 39 NE ARG A 3 74.942 -21.072 4.925 1.00 0.00 N ATOM 40 CZ ARG A 3 75.549 -20.377 4.001 1.00 0.00 C ATOM 41 NH1 ARG A 3 76.664 -19.758 4.277 1.00 0.00 N ATOM 42 NH2 ARG A 3 75.041 -20.302 2.802 1.00 0.00 N ATOM 0 H ARG A 3 71.298 -19.843 2.192 1.00 0.00 H new ATOM 0 HA ARG A 3 70.940 -21.866 4.220 1.00 0.00 H new ATOM 0 HB2 ARG A 3 72.780 -19.935 3.775 1.00 0.00 H new ATOM 0 HB3 ARG A 3 71.749 -19.036 4.871 1.00 0.00 H new ATOM 0 HG2 ARG A 3 72.066 -20.588 6.656 1.00 0.00 H new ATOM 0 HG3 ARG A 3 72.571 -21.874 5.579 1.00 0.00 H new ATOM 0 HD2 ARG A 3 74.192 -19.303 5.837 1.00 0.00 H new ATOM 0 HD3 ARG A 3 74.431 -20.641 6.944 1.00 0.00 H new ATOM 0 HE ARG A 3 75.048 -22.086 4.952 1.00 0.00 H new ATOM 0 HH11 ARG A 3 77.062 -19.817 5.215 1.00 0.00 H new ATOM 0 HH12 ARG A 3 77.138 -19.215 3.555 1.00 0.00 H new ATOM 0 HH21 ARG A 3 74.170 -20.786 2.586 1.00 0.00 H new ATOM 0 HH22 ARG A 3 75.515 -19.759 2.080 1.00 0.00 H new ATOM 56 N PHE A 4 68.514 -21.086 4.754 1.00 0.00 N ATOM 57 CA PHE A 4 67.262 -20.657 5.438 1.00 0.00 C ATOM 58 C PHE A 4 67.318 -21.070 6.911 1.00 0.00 C ATOM 59 O PHE A 4 67.528 -22.222 7.235 1.00 0.00 O ATOM 60 CB PHE A 4 66.059 -21.323 4.768 1.00 0.00 C ATOM 61 CG PHE A 4 64.785 -20.787 5.375 1.00 0.00 C ATOM 62 CD1 PHE A 4 64.609 -19.406 5.526 1.00 0.00 C ATOM 63 CD2 PHE A 4 63.780 -21.670 5.789 1.00 0.00 C ATOM 64 CE1 PHE A 4 63.428 -18.908 6.090 1.00 0.00 C ATOM 65 CE2 PHE A 4 62.599 -21.172 6.352 1.00 0.00 C ATOM 66 CZ PHE A 4 62.423 -19.791 6.503 1.00 0.00 C ATOM 0 H PHE A 4 68.474 -22.003 4.309 1.00 0.00 H new ATOM 0 HA PHE A 4 67.163 -19.574 5.367 1.00 0.00 H new ATOM 0 HB2 PHE A 4 66.073 -21.129 3.695 1.00 0.00 H new ATOM 0 HB3 PHE A 4 66.109 -22.404 4.897 1.00 0.00 H new ATOM 0 HD1 PHE A 4 65.384 -18.725 5.207 1.00 0.00 H new ATOM 0 HD2 PHE A 4 63.916 -22.735 5.674 1.00 0.00 H new ATOM 0 HE1 PHE A 4 63.292 -17.843 6.206 1.00 0.00 H new ATOM 0 HE2 PHE A 4 61.823 -21.853 6.670 1.00 0.00 H new ATOM 0 HZ PHE A 4 61.512 -19.407 6.938 1.00 0.00 H new ATOM 76 N HIS A 5 67.132 -20.138 7.804 1.00 0.00 N ATOM 77 CA HIS A 5 67.174 -20.476 9.255 1.00 0.00 C ATOM 78 C HIS A 5 66.421 -19.406 10.049 1.00 0.00 C ATOM 79 O HIS A 5 65.466 -19.692 10.743 1.00 0.00 O ATOM 80 CB HIS A 5 68.629 -20.529 9.724 1.00 0.00 C ATOM 81 CG HIS A 5 69.138 -21.942 9.625 1.00 0.00 C ATOM 82 ND1 HIS A 5 68.487 -23.147 9.524 1.00 0.00 N flip ATOM 83 CD2 HIS A 5 70.491 -22.241 9.623 1.00 0.00 C flip ATOM 84 CE1 HIS A 5 69.419 -24.178 9.460 1.00 0.00 C flip ATOM 85 NE2 HIS A 5 70.610 -23.578 9.524 1.00 0.00 N flip ATOM 0 H HIS A 5 66.953 -19.157 7.592 1.00 0.00 H new ATOM 0 HA HIS A 5 66.705 -21.446 9.416 1.00 0.00 H new ATOM 0 HB2 HIS A 5 69.243 -19.867 9.114 1.00 0.00 H new ATOM 0 HB3 HIS A 5 68.704 -20.176 10.752 1.00 0.00 H new ATOM 0 HD2 HIS A 5 71.302 -21.531 9.689 1.00 0.00 H new ATOM 0 HE1 HIS A 5 69.221 -25.236 9.376 1.00 0.00 H new ATOM 0 HE2 HIS A 5 71.502 -24.073 9.501 1.00 0.00 H new ATOM 93 N ALA A 6 66.843 -18.175 9.951 1.00 0.00 N ATOM 94 CA ALA A 6 66.151 -17.089 10.700 1.00 0.00 C ATOM 95 C ALA A 6 66.089 -15.831 9.830 1.00 0.00 C ATOM 96 O ALA A 6 65.046 -15.465 9.325 1.00 0.00 O ATOM 97 CB ALA A 6 66.924 -16.783 11.985 1.00 0.00 C ATOM 0 H ALA A 6 67.637 -17.875 9.385 1.00 0.00 H new ATOM 0 HA ALA A 6 65.140 -17.408 10.952 1.00 0.00 H new ATOM 0 HB1 ALA A 6 66.418 -15.988 12.533 1.00 0.00 H new ATOM 0 HB2 ALA A 6 66.970 -17.679 12.604 1.00 0.00 H new ATOM 0 HB3 ALA A 6 67.935 -16.463 11.734 1.00 0.00 H new ATOM 103 N THR A 7 67.198 -15.166 9.651 1.00 0.00 N ATOM 104 CA THR A 7 67.200 -13.933 8.814 1.00 0.00 C ATOM 105 C THR A 7 68.592 -13.725 8.214 1.00 0.00 C ATOM 106 O THR A 7 69.574 -13.616 8.922 1.00 0.00 O ATOM 107 CB THR A 7 66.833 -12.726 9.680 1.00 0.00 C ATOM 108 OG1 THR A 7 67.516 -12.813 10.924 1.00 0.00 O ATOM 109 CG2 THR A 7 65.324 -12.710 9.924 1.00 0.00 C ATOM 0 H THR A 7 68.102 -15.423 10.048 1.00 0.00 H new ATOM 0 HA THR A 7 66.470 -14.039 8.011 1.00 0.00 H new ATOM 0 HB THR A 7 67.125 -11.809 9.168 1.00 0.00 H new ATOM 0 HG1 THR A 7 68.448 -13.074 10.768 1.00 0.00 H new ATOM 0 HG21 THR A 7 65.064 -11.850 10.541 1.00 0.00 H new ATOM 0 HG22 THR A 7 64.802 -12.643 8.970 1.00 0.00 H new ATOM 0 HG23 THR A 7 65.028 -13.626 10.436 1.00 0.00 H new ATOM 117 N SER A 8 68.685 -13.669 6.914 1.00 0.00 N ATOM 118 CA SER A 8 70.013 -13.468 6.270 1.00 0.00 C ATOM 119 C SER A 8 70.330 -11.972 6.212 1.00 0.00 C ATOM 120 O SER A 8 69.459 -11.137 6.359 1.00 0.00 O ATOM 121 CB SER A 8 69.983 -14.037 4.851 1.00 0.00 C ATOM 122 OG SER A 8 70.405 -15.394 4.880 1.00 0.00 O ATOM 0 H SER A 8 67.899 -13.754 6.270 1.00 0.00 H new ATOM 0 HA SER A 8 70.780 -13.980 6.851 1.00 0.00 H new ATOM 0 HB2 SER A 8 68.976 -13.966 4.440 1.00 0.00 H new ATOM 0 HB3 SER A 8 70.635 -13.455 4.200 1.00 0.00 H new ATOM 0 HG SER A 8 70.385 -15.762 3.972 1.00 0.00 H new ATOM 128 N ALA A 9 71.570 -11.626 6.000 1.00 0.00 N ATOM 129 CA ALA A 9 71.941 -10.184 5.934 1.00 0.00 C ATOM 130 C ALA A 9 71.070 -9.482 4.890 1.00 0.00 C ATOM 131 O ALA A 9 70.569 -10.097 3.970 1.00 0.00 O ATOM 132 CB ALA A 9 73.414 -10.053 5.541 1.00 0.00 C ATOM 0 H ALA A 9 72.342 -12.279 5.870 1.00 0.00 H new ATOM 0 HA ALA A 9 71.784 -9.723 6.909 1.00 0.00 H new ATOM 0 HB1 ALA A 9 73.685 -8.998 5.493 1.00 0.00 H new ATOM 0 HB2 ALA A 9 74.035 -10.554 6.284 1.00 0.00 H new ATOM 0 HB3 ALA A 9 73.573 -10.513 4.566 1.00 0.00 H new ATOM 138 N ASP A 10 70.887 -8.197 5.026 1.00 0.00 N ATOM 139 CA ASP A 10 70.049 -7.456 4.042 1.00 0.00 C ATOM 140 C ASP A 10 70.841 -6.270 3.487 1.00 0.00 C ATOM 141 O ASP A 10 70.429 -5.132 3.593 1.00 0.00 O ATOM 142 CB ASP A 10 68.782 -6.945 4.733 1.00 0.00 C ATOM 143 CG ASP A 10 67.629 -6.916 3.728 1.00 0.00 C ATOM 144 OD1 ASP A 10 67.539 -5.951 2.987 1.00 0.00 O ATOM 145 OD2 ASP A 10 66.855 -7.859 3.717 1.00 0.00 O ATOM 0 H ASP A 10 71.281 -7.629 5.776 1.00 0.00 H new ATOM 0 HA ASP A 10 69.774 -8.123 3.225 1.00 0.00 H new ATOM 0 HB2 ASP A 10 68.529 -7.590 5.575 1.00 0.00 H new ATOM 0 HB3 ASP A 10 68.952 -5.947 5.136 1.00 0.00 H new ATOM 150 N CYS A 11 71.976 -6.527 2.897 1.00 0.00 N ATOM 151 CA CYS A 11 72.793 -5.414 2.337 1.00 0.00 C ATOM 152 C CYS A 11 72.359 -5.136 0.897 1.00 0.00 C ATOM 153 O CYS A 11 71.848 -6.002 0.214 1.00 0.00 O ATOM 154 CB CYS A 11 74.272 -5.807 2.356 1.00 0.00 C ATOM 155 SG CYS A 11 74.762 -6.228 4.047 1.00 0.00 S ATOM 0 H CYS A 11 72.373 -7.459 2.779 1.00 0.00 H new ATOM 0 HA CYS A 11 72.647 -4.518 2.940 1.00 0.00 H new ATOM 0 HB2 CYS A 11 74.442 -6.656 1.694 1.00 0.00 H new ATOM 0 HB3 CYS A 11 74.883 -4.985 1.983 1.00 0.00 H new ATOM 160 N CYS A 12 72.557 -3.934 0.429 1.00 0.00 N ATOM 161 CA CYS A 12 72.155 -3.602 -0.967 1.00 0.00 C ATOM 162 C CYS A 12 73.398 -3.555 -1.858 1.00 0.00 C ATOM 163 O CYS A 12 74.174 -2.621 -1.809 1.00 0.00 O ATOM 164 CB CYS A 12 71.462 -2.238 -0.988 1.00 0.00 C ATOM 165 SG CYS A 12 69.739 -2.428 -0.466 1.00 0.00 S ATOM 0 H CYS A 12 72.980 -3.168 0.953 1.00 0.00 H new ATOM 0 HA CYS A 12 71.470 -4.364 -1.338 1.00 0.00 H new ATOM 0 HB2 CYS A 12 71.980 -1.545 -0.325 1.00 0.00 H new ATOM 0 HB3 CYS A 12 71.505 -1.812 -1.990 1.00 0.00 H new ATOM 170 N ILE A 13 73.594 -4.555 -2.673 1.00 0.00 N ATOM 171 CA ILE A 13 74.787 -4.565 -3.566 1.00 0.00 C ATOM 172 C ILE A 13 74.352 -4.264 -5.001 1.00 0.00 C ATOM 173 O ILE A 13 75.167 -4.031 -5.872 1.00 0.00 O ATOM 174 CB ILE A 13 75.452 -5.941 -3.513 1.00 0.00 C ATOM 175 CG1 ILE A 13 75.827 -6.268 -2.065 1.00 0.00 C ATOM 176 CG2 ILE A 13 76.714 -5.933 -4.377 1.00 0.00 C ATOM 177 CD1 ILE A 13 76.734 -5.167 -1.512 1.00 0.00 C ATOM 0 H ILE A 13 72.980 -5.365 -2.759 1.00 0.00 H new ATOM 0 HA ILE A 13 75.496 -3.806 -3.234 1.00 0.00 H new ATOM 0 HB ILE A 13 74.760 -6.694 -3.890 1.00 0.00 H new ATOM 0 HG12 ILE A 13 74.927 -6.353 -1.455 1.00 0.00 H new ATOM 0 HG13 ILE A 13 76.336 -7.231 -2.018 1.00 0.00 H new ATOM 0 HG21 ILE A 13 77.187 -6.914 -4.339 1.00 0.00 H new ATOM 0 HG22 ILE A 13 76.448 -5.699 -5.408 1.00 0.00 H new ATOM 0 HG23 ILE A 13 77.407 -5.181 -4.001 1.00 0.00 H new ATOM 0 HD11 ILE A 13 77.001 -5.399 -0.481 1.00 0.00 H new ATOM 0 HD12 ILE A 13 77.639 -5.104 -2.116 1.00 0.00 H new ATOM 0 HD13 ILE A 13 76.209 -4.212 -1.544 1.00 0.00 H new ATOM 189 N SER A 14 73.072 -4.267 -5.255 1.00 0.00 N ATOM 190 CA SER A 14 72.585 -3.981 -6.634 1.00 0.00 C ATOM 191 C SER A 14 71.278 -3.190 -6.560 1.00 0.00 C ATOM 192 O SER A 14 70.344 -3.579 -5.888 1.00 0.00 O ATOM 193 CB SER A 14 72.344 -5.298 -7.372 1.00 0.00 C ATOM 194 OG SER A 14 72.555 -6.383 -6.478 1.00 0.00 O ATOM 0 H SER A 14 72.343 -4.455 -4.567 1.00 0.00 H new ATOM 0 HA SER A 14 73.333 -3.396 -7.170 1.00 0.00 H new ATOM 0 HB2 SER A 14 71.328 -5.328 -7.764 1.00 0.00 H new ATOM 0 HB3 SER A 14 73.018 -5.379 -8.225 1.00 0.00 H new ATOM 0 HG SER A 14 72.400 -7.229 -6.948 1.00 0.00 H new ATOM 200 N TYR A 15 71.204 -2.082 -7.245 1.00 0.00 N ATOM 201 CA TYR A 15 69.957 -1.268 -7.213 1.00 0.00 C ATOM 202 C TYR A 15 69.224 -1.404 -8.549 1.00 0.00 C ATOM 203 O TYR A 15 69.823 -1.357 -9.605 1.00 0.00 O ATOM 204 CB TYR A 15 70.313 0.201 -6.974 1.00 0.00 C ATOM 205 CG TYR A 15 71.185 0.314 -5.746 1.00 0.00 C ATOM 206 CD1 TYR A 15 70.625 0.156 -4.474 1.00 0.00 C ATOM 207 CD2 TYR A 15 72.553 0.576 -5.881 1.00 0.00 C ATOM 208 CE1 TYR A 15 71.432 0.260 -3.335 1.00 0.00 C ATOM 209 CE2 TYR A 15 73.361 0.681 -4.743 1.00 0.00 C ATOM 210 CZ TYR A 15 72.801 0.522 -3.470 1.00 0.00 C ATOM 211 OH TYR A 15 73.597 0.625 -2.347 1.00 0.00 O ATOM 0 H TYR A 15 71.953 -1.705 -7.825 1.00 0.00 H new ATOM 0 HA TYR A 15 69.313 -1.622 -6.408 1.00 0.00 H new ATOM 0 HB2 TYR A 15 70.834 0.606 -7.842 1.00 0.00 H new ATOM 0 HB3 TYR A 15 69.405 0.790 -6.844 1.00 0.00 H new ATOM 0 HD1 TYR A 15 69.569 -0.046 -4.371 1.00 0.00 H new ATOM 0 HD2 TYR A 15 72.985 0.697 -6.863 1.00 0.00 H new ATOM 0 HE1 TYR A 15 70.999 0.138 -2.353 1.00 0.00 H new ATOM 0 HE2 TYR A 15 74.417 0.885 -4.847 1.00 0.00 H new ATOM 0 HH TYR A 15 73.060 0.950 -1.594 1.00 0.00 H new ATOM 221 N THR A 16 67.930 -1.571 -8.511 1.00 0.00 N ATOM 222 CA THR A 16 67.159 -1.708 -9.778 1.00 0.00 C ATOM 223 C THR A 16 67.475 -0.521 -10.699 1.00 0.00 C ATOM 224 O THR A 16 67.116 0.600 -10.397 1.00 0.00 O ATOM 225 CB THR A 16 65.661 -1.717 -9.461 1.00 0.00 C ATOM 226 OG1 THR A 16 64.926 -1.890 -10.665 1.00 0.00 O ATOM 227 CG2 THR A 16 65.267 -0.393 -8.806 1.00 0.00 C ATOM 0 H THR A 16 67.374 -1.618 -7.657 1.00 0.00 H new ATOM 0 HA THR A 16 67.435 -2.639 -10.274 1.00 0.00 H new ATOM 0 HB THR A 16 65.439 -2.536 -8.777 1.00 0.00 H new ATOM 0 HG1 THR A 16 63.967 -1.898 -10.464 1.00 0.00 H new ATOM 0 HG21 THR A 16 64.200 -0.401 -8.581 1.00 0.00 H new ATOM 0 HG22 THR A 16 65.831 -0.262 -7.883 1.00 0.00 H new ATOM 0 HG23 THR A 16 65.488 0.429 -9.486 1.00 0.00 H new ATOM 235 N PRO A 17 68.138 -0.799 -11.796 1.00 0.00 N ATOM 236 CA PRO A 17 68.513 0.237 -12.775 1.00 0.00 C ATOM 237 C PRO A 17 67.304 0.624 -13.631 1.00 0.00 C ATOM 238 O PRO A 17 67.222 0.289 -14.796 1.00 0.00 O ATOM 239 CB PRO A 17 69.591 -0.442 -13.623 1.00 0.00 C ATOM 240 CG PRO A 17 69.376 -1.966 -13.463 1.00 0.00 C ATOM 241 CD PRO A 17 68.574 -2.162 -12.163 1.00 0.00 C ATOM 0 HA PRO A 17 68.864 1.159 -12.312 1.00 0.00 H new ATOM 0 HB2 PRO A 17 69.507 -0.145 -14.669 1.00 0.00 H new ATOM 0 HB3 PRO A 17 70.587 -0.153 -13.289 1.00 0.00 H new ATOM 0 HG2 PRO A 17 68.835 -2.373 -14.317 1.00 0.00 H new ATOM 0 HG3 PRO A 17 70.331 -2.489 -13.412 1.00 0.00 H new ATOM 0 HD2 PRO A 17 67.722 -2.825 -12.317 1.00 0.00 H new ATOM 0 HD3 PRO A 17 69.187 -2.608 -11.380 1.00 0.00 H new ATOM 249 N ARG A 18 66.365 1.329 -13.060 1.00 0.00 N ATOM 250 CA ARG A 18 65.162 1.738 -13.838 1.00 0.00 C ATOM 251 C ARG A 18 64.350 2.748 -13.024 1.00 0.00 C ATOM 252 O ARG A 18 64.522 2.878 -11.828 1.00 0.00 O ATOM 253 CB ARG A 18 64.299 0.508 -14.130 1.00 0.00 C ATOM 254 CG ARG A 18 64.734 -0.117 -15.457 1.00 0.00 C ATOM 255 CD ARG A 18 63.497 -0.485 -16.278 1.00 0.00 C ATOM 256 NE ARG A 18 63.509 -1.946 -16.570 1.00 0.00 N ATOM 257 CZ ARG A 18 63.643 -2.365 -17.798 1.00 0.00 C ATOM 258 NH1 ARG A 18 62.589 -2.542 -18.546 1.00 0.00 N ATOM 259 NH2 ARG A 18 64.832 -2.607 -18.279 1.00 0.00 N ATOM 0 H ARG A 18 66.380 1.639 -12.088 1.00 0.00 H new ATOM 0 HA ARG A 18 65.474 2.193 -14.778 1.00 0.00 H new ATOM 0 HB2 ARG A 18 64.398 -0.219 -13.324 1.00 0.00 H new ATOM 0 HB3 ARG A 18 63.247 0.791 -14.176 1.00 0.00 H new ATOM 0 HG2 ARG A 18 65.358 0.583 -16.013 1.00 0.00 H new ATOM 0 HG3 ARG A 18 65.338 -1.005 -15.272 1.00 0.00 H new ATOM 0 HD2 ARG A 18 62.592 -0.221 -15.730 1.00 0.00 H new ATOM 0 HD3 ARG A 18 63.483 0.082 -17.209 1.00 0.00 H new ATOM 0 HE ARG A 18 63.412 -2.619 -15.809 1.00 0.00 H new ATOM 0 HH11 ARG A 18 61.660 -2.353 -18.171 1.00 0.00 H new ATOM 0 HH12 ARG A 18 62.694 -2.870 -19.506 1.00 0.00 H new ATOM 0 HH21 ARG A 18 65.656 -2.468 -17.695 1.00 0.00 H new ATOM 0 HH22 ARG A 18 64.937 -2.935 -19.239 1.00 0.00 H new ATOM 273 N SER A 19 63.465 3.465 -13.661 1.00 0.00 N ATOM 274 CA SER A 19 62.644 4.464 -12.922 1.00 0.00 C ATOM 275 C SER A 19 61.328 3.819 -12.483 1.00 0.00 C ATOM 276 O SER A 19 60.487 3.486 -13.295 1.00 0.00 O ATOM 277 CB SER A 19 62.347 5.655 -13.835 1.00 0.00 C ATOM 278 OG SER A 19 63.232 6.721 -13.518 1.00 0.00 O ATOM 0 H SER A 19 63.275 3.402 -14.661 1.00 0.00 H new ATOM 0 HA SER A 19 63.192 4.806 -12.044 1.00 0.00 H new ATOM 0 HB2 SER A 19 62.466 5.366 -14.879 1.00 0.00 H new ATOM 0 HB3 SER A 19 61.313 5.976 -13.709 1.00 0.00 H new ATOM 0 HG SER A 19 63.046 7.486 -14.102 1.00 0.00 H new ATOM 284 N ILE A 20 61.142 3.638 -11.204 1.00 0.00 N ATOM 285 CA ILE A 20 59.880 3.013 -10.716 1.00 0.00 C ATOM 286 C ILE A 20 58.917 4.111 -10.245 1.00 0.00 C ATOM 287 O ILE A 20 59.319 5.021 -9.548 1.00 0.00 O ATOM 288 CB ILE A 20 60.195 2.077 -9.548 1.00 0.00 C ATOM 289 CG1 ILE A 20 61.412 1.218 -9.899 1.00 0.00 C ATOM 290 CG2 ILE A 20 58.993 1.171 -9.279 1.00 0.00 C ATOM 291 CD1 ILE A 20 62.040 0.673 -8.615 1.00 0.00 C ATOM 0 H ILE A 20 61.809 3.896 -10.476 1.00 0.00 H new ATOM 0 HA ILE A 20 59.418 2.445 -11.523 1.00 0.00 H new ATOM 0 HB ILE A 20 60.410 2.668 -8.657 1.00 0.00 H new ATOM 0 HG12 ILE A 20 61.114 0.395 -10.548 1.00 0.00 H new ATOM 0 HG13 ILE A 20 62.142 1.811 -10.450 1.00 0.00 H new ATOM 0 HG21 ILE A 20 59.219 0.505 -8.447 1.00 0.00 H new ATOM 0 HG22 ILE A 20 58.125 1.782 -9.030 1.00 0.00 H new ATOM 0 HG23 ILE A 20 58.777 0.580 -10.169 1.00 0.00 H new ATOM 0 HD11 ILE A 20 62.907 0.061 -8.865 1.00 0.00 H new ATOM 0 HD12 ILE A 20 62.353 1.503 -7.982 1.00 0.00 H new ATOM 0 HD13 ILE A 20 61.309 0.065 -8.082 1.00 0.00 H new ATOM 303 N PRO A 21 57.673 3.993 -10.639 1.00 0.00 N ATOM 304 CA PRO A 21 56.630 4.966 -10.268 1.00 0.00 C ATOM 305 C PRO A 21 56.147 4.710 -8.838 1.00 0.00 C ATOM 306 O PRO A 21 56.095 3.585 -8.382 1.00 0.00 O ATOM 307 CB PRO A 21 55.512 4.695 -11.277 1.00 0.00 C ATOM 308 CG PRO A 21 55.720 3.247 -11.781 1.00 0.00 C ATOM 309 CD PRO A 21 57.188 2.884 -11.487 1.00 0.00 C ATOM 0 HA PRO A 21 56.978 5.999 -10.292 1.00 0.00 H new ATOM 0 HB2 PRO A 21 54.533 4.807 -10.811 1.00 0.00 H new ATOM 0 HB3 PRO A 21 55.555 5.404 -12.104 1.00 0.00 H new ATOM 0 HG2 PRO A 21 55.042 2.560 -11.275 1.00 0.00 H new ATOM 0 HG3 PRO A 21 55.509 3.174 -12.848 1.00 0.00 H new ATOM 0 HD2 PRO A 21 57.266 1.926 -10.973 1.00 0.00 H new ATOM 0 HD3 PRO A 21 57.769 2.801 -12.405 1.00 0.00 H new ATOM 317 N CYS A 22 55.791 5.745 -8.126 1.00 0.00 N ATOM 318 CA CYS A 22 55.311 5.556 -6.729 1.00 0.00 C ATOM 319 C CYS A 22 54.130 4.583 -6.725 1.00 0.00 C ATOM 320 O CYS A 22 53.782 4.017 -5.708 1.00 0.00 O ATOM 321 CB CYS A 22 54.864 6.902 -6.156 1.00 0.00 C ATOM 322 SG CYS A 22 56.029 7.429 -4.875 1.00 0.00 S ATOM 0 H CYS A 22 55.812 6.711 -8.452 1.00 0.00 H new ATOM 0 HA CYS A 22 56.119 5.152 -6.118 1.00 0.00 H new ATOM 0 HB2 CYS A 22 54.816 7.649 -6.948 1.00 0.00 H new ATOM 0 HB3 CYS A 22 53.861 6.816 -5.738 1.00 0.00 H new ATOM 327 N SER A 23 53.511 4.384 -7.857 1.00 0.00 N ATOM 328 CA SER A 23 52.354 3.448 -7.919 1.00 0.00 C ATOM 329 C SER A 23 52.837 2.021 -7.650 1.00 0.00 C ATOM 330 O SER A 23 52.102 1.190 -7.154 1.00 0.00 O ATOM 331 CB SER A 23 51.718 3.517 -9.308 1.00 0.00 C ATOM 332 OG SER A 23 50.304 3.561 -9.176 1.00 0.00 O ATOM 0 H SER A 23 53.757 4.829 -8.741 1.00 0.00 H new ATOM 0 HA SER A 23 51.617 3.730 -7.167 1.00 0.00 H new ATOM 0 HB2 SER A 23 52.073 4.400 -9.839 1.00 0.00 H new ATOM 0 HB3 SER A 23 52.013 2.650 -9.899 1.00 0.00 H new ATOM 0 HG SER A 23 49.894 3.607 -10.065 1.00 0.00 H new ATOM 338 N LEU A 24 54.067 1.731 -7.973 1.00 0.00 N ATOM 339 CA LEU A 24 54.595 0.358 -7.735 1.00 0.00 C ATOM 340 C LEU A 24 55.349 0.326 -6.404 1.00 0.00 C ATOM 341 O LEU A 24 56.070 -0.607 -6.110 1.00 0.00 O ATOM 342 CB LEU A 24 55.546 -0.028 -8.870 1.00 0.00 C ATOM 343 CG LEU A 24 54.899 -1.117 -9.727 1.00 0.00 C ATOM 344 CD1 LEU A 24 55.501 -1.088 -11.132 1.00 0.00 C ATOM 345 CD2 LEU A 24 55.157 -2.485 -9.091 1.00 0.00 C ATOM 0 H LEU A 24 54.729 2.385 -8.391 1.00 0.00 H new ATOM 0 HA LEU A 24 53.766 -0.349 -7.701 1.00 0.00 H new ATOM 0 HB2 LEU A 24 55.773 0.845 -9.482 1.00 0.00 H new ATOM 0 HB3 LEU A 24 56.491 -0.385 -8.462 1.00 0.00 H new ATOM 0 HG LEU A 24 53.825 -0.940 -9.789 1.00 0.00 H new ATOM 0 HD11 LEU A 24 55.039 -1.865 -11.742 1.00 0.00 H new ATOM 0 HD12 LEU A 24 55.319 -0.114 -11.586 1.00 0.00 H new ATOM 0 HD13 LEU A 24 56.575 -1.265 -11.071 1.00 0.00 H new ATOM 0 HD21 LEU A 24 54.696 -3.262 -9.701 1.00 0.00 H new ATOM 0 HD22 LEU A 24 56.231 -2.661 -9.029 1.00 0.00 H new ATOM 0 HD23 LEU A 24 54.728 -2.507 -8.089 1.00 0.00 H new ATOM 357 N LEU A 25 55.186 1.337 -5.595 1.00 0.00 N ATOM 358 CA LEU A 25 55.892 1.364 -4.283 1.00 0.00 C ATOM 359 C LEU A 25 54.868 1.552 -3.161 1.00 0.00 C ATOM 360 O LEU A 25 54.311 2.618 -2.990 1.00 0.00 O ATOM 361 CB LEU A 25 56.891 2.523 -4.263 1.00 0.00 C ATOM 362 CG LEU A 25 57.853 2.388 -5.444 1.00 0.00 C ATOM 363 CD1 LEU A 25 58.898 3.504 -5.382 1.00 0.00 C ATOM 364 CD2 LEU A 25 58.554 1.030 -5.377 1.00 0.00 C ATOM 0 H LEU A 25 54.594 2.146 -5.786 1.00 0.00 H new ATOM 0 HA LEU A 25 56.426 0.425 -4.137 1.00 0.00 H new ATOM 0 HB2 LEU A 25 56.362 3.474 -4.318 1.00 0.00 H new ATOM 0 HB3 LEU A 25 57.447 2.522 -3.325 1.00 0.00 H new ATOM 0 HG LEU A 25 57.295 2.464 -6.377 1.00 0.00 H new ATOM 0 HD11 LEU A 25 59.584 3.408 -6.224 1.00 0.00 H new ATOM 0 HD12 LEU A 25 58.400 4.472 -5.429 1.00 0.00 H new ATOM 0 HD13 LEU A 25 59.456 3.428 -4.449 1.00 0.00 H new ATOM 0 HD21 LEU A 25 59.240 0.933 -6.218 1.00 0.00 H new ATOM 0 HD22 LEU A 25 59.112 0.954 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 25 57.810 0.234 -5.421 1.00 0.00 H new ATOM 376 N GLU A 26 54.613 0.524 -2.399 1.00 0.00 N ATOM 377 CA GLU A 26 53.622 0.646 -1.293 1.00 0.00 C ATOM 378 C GLU A 26 54.347 0.955 0.019 1.00 0.00 C ATOM 379 O GLU A 26 53.744 1.373 0.987 1.00 0.00 O ATOM 380 CB GLU A 26 52.853 -0.669 -1.152 1.00 0.00 C ATOM 381 CG GLU A 26 51.972 -0.881 -2.385 1.00 0.00 C ATOM 382 CD GLU A 26 50.549 -0.410 -2.082 1.00 0.00 C ATOM 383 OE1 GLU A 26 50.267 -0.147 -0.925 1.00 0.00 O ATOM 384 OE2 GLU A 26 49.765 -0.321 -3.013 1.00 0.00 O ATOM 0 H GLU A 26 55.047 -0.394 -2.494 1.00 0.00 H new ATOM 0 HA GLU A 26 52.927 1.454 -1.519 1.00 0.00 H new ATOM 0 HB2 GLU A 26 53.550 -1.500 -1.043 1.00 0.00 H new ATOM 0 HB3 GLU A 26 52.238 -0.648 -0.252 1.00 0.00 H new ATOM 0 HG2 GLU A 26 52.376 -0.329 -3.233 1.00 0.00 H new ATOM 0 HG3 GLU A 26 51.966 -1.935 -2.664 1.00 0.00 H new ATOM 391 N SER A 27 55.636 0.754 0.062 1.00 0.00 N ATOM 392 CA SER A 27 56.390 1.039 1.315 1.00 0.00 C ATOM 393 C SER A 27 57.891 1.063 1.019 1.00 0.00 C ATOM 394 O SER A 27 58.320 0.818 -0.091 1.00 0.00 O ATOM 395 CB SER A 27 56.093 -0.050 2.347 1.00 0.00 C ATOM 396 OG SER A 27 55.541 0.547 3.513 1.00 0.00 O ATOM 0 H SER A 27 56.198 0.406 -0.715 1.00 0.00 H new ATOM 0 HA SER A 27 56.083 2.008 1.708 1.00 0.00 H new ATOM 0 HB2 SER A 27 55.397 -0.779 1.933 1.00 0.00 H new ATOM 0 HB3 SER A 27 57.007 -0.589 2.598 1.00 0.00 H new ATOM 0 HG SER A 27 55.348 -0.148 4.176 1.00 0.00 H new ATOM 402 N TYR A 28 58.693 1.356 2.006 1.00 0.00 N ATOM 403 CA TYR A 28 60.166 1.397 1.786 1.00 0.00 C ATOM 404 C TYR A 28 60.879 1.513 3.135 1.00 0.00 C ATOM 405 O TYR A 28 60.301 1.930 4.119 1.00 0.00 O ATOM 406 CB TYR A 28 60.518 2.606 0.916 1.00 0.00 C ATOM 407 CG TYR A 28 60.249 3.876 1.687 1.00 0.00 C ATOM 408 CD1 TYR A 28 58.942 4.196 2.075 1.00 0.00 C ATOM 409 CD2 TYR A 28 61.306 4.734 2.013 1.00 0.00 C ATOM 410 CE1 TYR A 28 58.693 5.374 2.790 1.00 0.00 C ATOM 411 CE2 TYR A 28 61.057 5.912 2.728 1.00 0.00 C ATOM 412 CZ TYR A 28 59.751 6.232 3.116 1.00 0.00 C ATOM 413 OH TYR A 28 59.505 7.393 3.820 1.00 0.00 O ATOM 0 H TYR A 28 58.391 1.569 2.957 1.00 0.00 H new ATOM 0 HA TYR A 28 60.485 0.484 1.284 1.00 0.00 H new ATOM 0 HB2 TYR A 28 61.566 2.562 0.621 1.00 0.00 H new ATOM 0 HB3 TYR A 28 59.928 2.592 -0.000 1.00 0.00 H new ATOM 0 HD1 TYR A 28 58.126 3.534 1.823 1.00 0.00 H new ATOM 0 HD2 TYR A 28 62.314 4.487 1.713 1.00 0.00 H new ATOM 0 HE1 TYR A 28 57.685 5.621 3.090 1.00 0.00 H new ATOM 0 HE2 TYR A 28 61.873 6.573 2.980 1.00 0.00 H new ATOM 0 HH TYR A 28 59.206 8.093 3.203 1.00 0.00 H new ATOM 423 N PHE A 29 62.131 1.149 3.190 1.00 0.00 N ATOM 424 CA PHE A 29 62.878 1.240 4.477 1.00 0.00 C ATOM 425 C PHE A 29 64.382 1.239 4.196 1.00 0.00 C ATOM 426 O PHE A 29 64.815 1.042 3.078 1.00 0.00 O ATOM 427 CB PHE A 29 62.523 0.044 5.365 1.00 0.00 C ATOM 428 CG PHE A 29 62.229 -1.161 4.504 1.00 0.00 C ATOM 429 CD1 PHE A 29 60.974 -1.298 3.897 1.00 0.00 C ATOM 430 CD2 PHE A 29 63.210 -2.142 4.313 1.00 0.00 C ATOM 431 CE1 PHE A 29 60.701 -2.416 3.100 1.00 0.00 C ATOM 432 CE2 PHE A 29 62.936 -3.259 3.515 1.00 0.00 C ATOM 433 CZ PHE A 29 61.681 -3.396 2.909 1.00 0.00 C ATOM 0 H PHE A 29 62.669 0.793 2.400 1.00 0.00 H new ATOM 0 HA PHE A 29 62.604 2.163 4.988 1.00 0.00 H new ATOM 0 HB2 PHE A 29 63.348 -0.175 6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 29 61.657 0.282 5.982 1.00 0.00 H new ATOM 0 HD1 PHE A 29 60.217 -0.541 4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 29 64.178 -2.037 4.781 1.00 0.00 H new ATOM 0 HE1 PHE A 29 59.733 -2.522 2.632 1.00 0.00 H new ATOM 0 HE2 PHE A 29 63.693 -4.015 3.367 1.00 0.00 H new ATOM 0 HZ PHE A 29 61.470 -4.258 2.294 1.00 0.00 H new ATOM 443 N GLU A 30 65.183 1.460 5.203 1.00 0.00 N ATOM 444 CA GLU A 30 66.658 1.473 4.993 1.00 0.00 C ATOM 445 C GLU A 30 67.242 0.112 5.377 1.00 0.00 C ATOM 446 O GLU A 30 66.739 -0.567 6.250 1.00 0.00 O ATOM 447 CB GLU A 30 67.287 2.562 5.865 1.00 0.00 C ATOM 448 CG GLU A 30 66.851 3.938 5.359 1.00 0.00 C ATOM 449 CD GLU A 30 67.228 5.004 6.388 1.00 0.00 C ATOM 450 OE1 GLU A 30 68.413 5.189 6.614 1.00 0.00 O ATOM 451 OE2 GLU A 30 66.326 5.618 6.934 1.00 0.00 O ATOM 0 H GLU A 30 64.879 1.632 6.161 1.00 0.00 H new ATOM 0 HA GLU A 30 66.873 1.677 3.944 1.00 0.00 H new ATOM 0 HB2 GLU A 30 66.983 2.432 6.904 1.00 0.00 H new ATOM 0 HB3 GLU A 30 68.374 2.481 5.839 1.00 0.00 H new ATOM 0 HG2 GLU A 30 67.330 4.154 4.404 1.00 0.00 H new ATOM 0 HG3 GLU A 30 65.775 3.949 5.186 1.00 0.00 H new ATOM 458 N THR A 31 68.302 -0.292 4.732 1.00 0.00 N ATOM 459 CA THR A 31 68.919 -1.608 5.061 1.00 0.00 C ATOM 460 C THR A 31 69.480 -1.567 6.484 1.00 0.00 C ATOM 461 O THR A 31 69.333 -0.590 7.191 1.00 0.00 O ATOM 462 CB THR A 31 70.051 -1.901 4.074 1.00 0.00 C ATOM 463 OG1 THR A 31 70.973 -0.820 4.080 1.00 0.00 O ATOM 464 CG2 THR A 31 69.474 -2.074 2.669 1.00 0.00 C ATOM 0 H THR A 31 68.767 0.232 3.991 1.00 0.00 H new ATOM 0 HA THR A 31 68.164 -2.391 4.991 1.00 0.00 H new ATOM 0 HB THR A 31 70.562 -2.817 4.369 1.00 0.00 H new ATOM 0 HG1 THR A 31 71.700 -1.006 3.450 1.00 0.00 H new ATOM 0 HG21 THR A 31 70.281 -2.283 1.967 1.00 0.00 H new ATOM 0 HG22 THR A 31 68.767 -2.904 2.666 1.00 0.00 H new ATOM 0 HG23 THR A 31 68.962 -1.159 2.371 1.00 0.00 H new ATOM 472 N ASN A 32 70.122 -2.621 6.909 1.00 0.00 N ATOM 473 CA ASN A 32 70.691 -2.640 8.286 1.00 0.00 C ATOM 474 C ASN A 32 71.899 -1.703 8.352 1.00 0.00 C ATOM 475 O ASN A 32 72.640 -1.563 7.400 1.00 0.00 O ATOM 476 CB ASN A 32 71.131 -4.063 8.637 1.00 0.00 C ATOM 477 CG ASN A 32 69.908 -4.982 8.672 1.00 0.00 C ATOM 478 OD1 ASN A 32 69.246 -5.170 7.671 1.00 0.00 O ATOM 479 ND2 ASN A 32 69.577 -5.566 9.792 1.00 0.00 N ATOM 0 H ASN A 32 70.277 -3.468 6.363 1.00 0.00 H new ATOM 0 HA ASN A 32 69.934 -2.308 8.996 1.00 0.00 H new ATOM 0 HB2 ASN A 32 71.850 -4.425 7.902 1.00 0.00 H new ATOM 0 HB3 ASN A 32 71.633 -4.071 9.604 1.00 0.00 H new ATOM 0 HD21 ASN A 32 68.763 -6.180 9.826 1.00 0.00 H new ATOM 0 HD22 ASN A 32 70.132 -5.409 10.633 1.00 0.00 H new ATOM 486 N SER A 33 72.102 -1.059 9.469 1.00 0.00 N ATOM 487 CA SER A 33 73.262 -0.132 9.593 1.00 0.00 C ATOM 488 C SER A 33 74.559 -0.942 9.658 1.00 0.00 C ATOM 489 O SER A 33 75.644 -0.397 9.614 1.00 0.00 O ATOM 490 CB SER A 33 73.115 0.699 10.868 1.00 0.00 C ATOM 491 OG SER A 33 71.981 0.247 11.595 1.00 0.00 O ATOM 0 H SER A 33 71.515 -1.135 10.300 1.00 0.00 H new ATOM 0 HA SER A 33 73.292 0.531 8.728 1.00 0.00 H new ATOM 0 HB2 SER A 33 74.013 0.610 11.480 1.00 0.00 H new ATOM 0 HB3 SER A 33 73.004 1.754 10.617 1.00 0.00 H new ATOM 0 HG SER A 33 71.163 0.522 11.130 1.00 0.00 H new ATOM 497 N GLU A 34 74.456 -2.239 9.763 1.00 0.00 N ATOM 498 CA GLU A 34 75.684 -3.080 9.831 1.00 0.00 C ATOM 499 C GLU A 34 76.216 -3.323 8.417 1.00 0.00 C ATOM 500 O GLU A 34 77.380 -3.611 8.223 1.00 0.00 O ATOM 501 CB GLU A 34 75.346 -4.421 10.486 1.00 0.00 C ATOM 502 CG GLU A 34 74.925 -4.189 11.938 1.00 0.00 C ATOM 503 CD GLU A 34 76.162 -4.203 12.838 1.00 0.00 C ATOM 504 OE1 GLU A 34 77.092 -4.927 12.521 1.00 0.00 O ATOM 505 OE2 GLU A 34 76.158 -3.491 13.828 1.00 0.00 O ATOM 0 H GLU A 34 73.575 -2.752 9.805 1.00 0.00 H new ATOM 0 HA GLU A 34 76.444 -2.567 10.421 1.00 0.00 H new ATOM 0 HB2 GLU A 34 74.543 -4.913 9.938 1.00 0.00 H new ATOM 0 HB3 GLU A 34 76.210 -5.084 10.449 1.00 0.00 H new ATOM 0 HG2 GLU A 34 74.407 -3.234 12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 34 74.225 -4.963 12.253 1.00 0.00 H new ATOM 512 N CYS A 35 75.373 -3.209 7.428 1.00 0.00 N ATOM 513 CA CYS A 35 75.833 -3.434 6.028 1.00 0.00 C ATOM 514 C CYS A 35 76.831 -2.343 5.637 1.00 0.00 C ATOM 515 O CYS A 35 76.488 -1.183 5.532 1.00 0.00 O ATOM 516 CB CYS A 35 74.631 -3.389 5.083 1.00 0.00 C ATOM 517 SG CYS A 35 73.712 -4.944 5.201 1.00 0.00 S ATOM 0 H CYS A 35 74.386 -2.970 7.528 1.00 0.00 H new ATOM 0 HA CYS A 35 76.315 -4.409 5.956 1.00 0.00 H new ATOM 0 HB2 CYS A 35 73.983 -2.551 5.341 1.00 0.00 H new ATOM 0 HB3 CYS A 35 74.966 -3.229 4.058 1.00 0.00 H new ATOM 522 N SER A 36 78.066 -2.706 5.421 1.00 0.00 N ATOM 523 CA SER A 36 79.086 -1.690 5.036 1.00 0.00 C ATOM 524 C SER A 36 78.517 -0.788 3.939 1.00 0.00 C ATOM 525 O SER A 36 78.801 0.392 3.883 1.00 0.00 O ATOM 526 CB SER A 36 80.338 -2.398 4.518 1.00 0.00 C ATOM 527 OG SER A 36 79.973 -3.662 3.979 1.00 0.00 O ATOM 0 H SER A 36 78.413 -3.662 5.495 1.00 0.00 H new ATOM 0 HA SER A 36 79.345 -1.085 5.905 1.00 0.00 H new ATOM 0 HB2 SER A 36 80.824 -1.791 3.754 1.00 0.00 H new ATOM 0 HB3 SER A 36 81.057 -2.528 5.327 1.00 0.00 H new ATOM 0 HG SER A 36 80.773 -4.118 3.644 1.00 0.00 H new ATOM 533 N LYS A 37 77.716 -1.335 3.067 1.00 0.00 N ATOM 534 CA LYS A 37 77.128 -0.509 1.974 1.00 0.00 C ATOM 535 C LYS A 37 75.664 -0.194 2.309 1.00 0.00 C ATOM 536 O LYS A 37 74.859 -1.094 2.440 1.00 0.00 O ATOM 537 CB LYS A 37 77.191 -1.291 0.660 1.00 0.00 C ATOM 538 CG LYS A 37 78.595 -1.178 0.064 1.00 0.00 C ATOM 539 CD LYS A 37 79.160 -2.578 -0.181 1.00 0.00 C ATOM 540 CE LYS A 37 80.664 -2.483 -0.445 1.00 0.00 C ATOM 541 NZ LYS A 37 81.394 -2.437 0.854 1.00 0.00 N ATOM 0 H LYS A 37 77.443 -2.318 3.064 1.00 0.00 H new ATOM 0 HA LYS A 37 77.689 0.420 1.874 1.00 0.00 H new ATOM 0 HB2 LYS A 37 76.942 -2.338 0.835 1.00 0.00 H new ATOM 0 HB3 LYS A 37 76.454 -0.902 -0.043 1.00 0.00 H new ATOM 0 HG2 LYS A 37 78.561 -0.619 -0.871 1.00 0.00 H new ATOM 0 HG3 LYS A 37 79.246 -0.625 0.742 1.00 0.00 H new ATOM 0 HD2 LYS A 37 78.971 -3.214 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 37 78.659 -3.040 -1.032 1.00 0.00 H new ATOM 0 HE2 LYS A 37 80.996 -3.340 -1.031 1.00 0.00 H new ATOM 0 HE3 LYS A 37 80.886 -1.591 -1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 82.417 -2.372 0.675 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 81.084 -1.606 1.397 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 81.191 -3.301 1.397 1.00 0.00 H new ATOM 555 N PRO A 38 75.359 1.075 2.439 1.00 0.00 N ATOM 556 CA PRO A 38 73.994 1.529 2.759 1.00 0.00 C ATOM 557 C PRO A 38 73.107 1.480 1.512 1.00 0.00 C ATOM 558 O PRO A 38 73.583 1.314 0.406 1.00 0.00 O ATOM 559 CB PRO A 38 74.195 2.972 3.229 1.00 0.00 C ATOM 560 CG PRO A 38 75.540 3.443 2.627 1.00 0.00 C ATOM 561 CD PRO A 38 76.336 2.171 2.280 1.00 0.00 C ATOM 0 HA PRO A 38 73.501 0.908 3.506 1.00 0.00 H new ATOM 0 HB2 PRO A 38 73.375 3.608 2.894 1.00 0.00 H new ATOM 0 HB3 PRO A 38 74.216 3.027 4.317 1.00 0.00 H new ATOM 0 HG2 PRO A 38 75.375 4.051 1.738 1.00 0.00 H new ATOM 0 HG3 PRO A 38 76.088 4.061 3.339 1.00 0.00 H new ATOM 0 HD2 PRO A 38 76.727 2.211 1.263 1.00 0.00 H new ATOM 0 HD3 PRO A 38 77.190 2.042 2.945 1.00 0.00 H new ATOM 569 N GLY A 39 71.822 1.625 1.682 1.00 0.00 N ATOM 570 CA GLY A 39 70.908 1.588 0.518 1.00 0.00 C ATOM 571 C GLY A 39 69.458 1.644 1.001 1.00 0.00 C ATOM 572 O GLY A 39 69.182 1.558 2.181 1.00 0.00 O ATOM 0 H GLY A 39 71.368 1.768 2.584 1.00 0.00 H new ATOM 0 HA2 GLY A 39 71.114 2.428 -0.145 1.00 0.00 H new ATOM 0 HA3 GLY A 39 71.075 0.678 -0.059 1.00 0.00 H new ATOM 576 N VAL A 40 68.529 1.786 0.096 1.00 0.00 N ATOM 577 CA VAL A 40 67.097 1.847 0.501 1.00 0.00 C ATOM 578 C VAL A 40 66.352 0.643 -0.079 1.00 0.00 C ATOM 579 O VAL A 40 66.678 0.153 -1.142 1.00 0.00 O ATOM 580 CB VAL A 40 66.470 3.137 -0.029 1.00 0.00 C ATOM 581 CG1 VAL A 40 64.951 3.073 0.134 1.00 0.00 C ATOM 582 CG2 VAL A 40 67.017 4.330 0.760 1.00 0.00 C ATOM 0 H VAL A 40 68.700 1.862 -0.907 1.00 0.00 H new ATOM 0 HA VAL A 40 67.027 1.830 1.589 1.00 0.00 H new ATOM 0 HB VAL A 40 66.716 3.253 -1.084 1.00 0.00 H new ATOM 0 HG11 VAL A 40 64.505 3.993 -0.244 1.00 0.00 H new ATOM 0 HG12 VAL A 40 64.560 2.224 -0.426 1.00 0.00 H new ATOM 0 HG13 VAL A 40 64.703 2.957 1.189 1.00 0.00 H new ATOM 0 HG21 VAL A 40 66.571 5.251 0.383 1.00 0.00 H new ATOM 0 HG22 VAL A 40 66.770 4.212 1.815 1.00 0.00 H new ATOM 0 HG23 VAL A 40 68.100 4.377 0.644 1.00 0.00 H new ATOM 592 N ILE A 41 65.354 0.162 0.610 1.00 0.00 N ATOM 593 CA ILE A 41 64.591 -1.010 0.098 1.00 0.00 C ATOM 594 C ILE A 41 63.151 -0.589 -0.205 1.00 0.00 C ATOM 595 O ILE A 41 62.413 -0.192 0.675 1.00 0.00 O ATOM 596 CB ILE A 41 64.587 -2.117 1.153 1.00 0.00 C ATOM 597 CG1 ILE A 41 66.019 -2.365 1.635 1.00 0.00 C ATOM 598 CG2 ILE A 41 64.025 -3.403 0.545 1.00 0.00 C ATOM 599 CD1 ILE A 41 66.233 -1.667 2.979 1.00 0.00 C ATOM 0 H ILE A 41 65.034 0.530 1.506 1.00 0.00 H new ATOM 0 HA ILE A 41 65.061 -1.379 -0.814 1.00 0.00 H new ATOM 0 HB ILE A 41 63.965 -1.813 1.995 1.00 0.00 H new ATOM 0 HG12 ILE A 41 66.200 -3.435 1.736 1.00 0.00 H new ATOM 0 HG13 ILE A 41 66.731 -1.989 0.901 1.00 0.00 H new ATOM 0 HG21 ILE A 41 64.023 -4.191 1.298 1.00 0.00 H new ATOM 0 HG22 ILE A 41 63.006 -3.228 0.201 1.00 0.00 H new ATOM 0 HG23 ILE A 41 64.645 -3.708 -0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 41 67.252 -1.843 3.322 1.00 0.00 H new ATOM 0 HD12 ILE A 41 66.070 -0.596 2.863 1.00 0.00 H new ATOM 0 HD13 ILE A 41 65.530 -2.064 3.711 1.00 0.00 H new ATOM 611 N PHE A 42 62.746 -0.673 -1.442 1.00 0.00 N ATOM 612 CA PHE A 42 61.354 -0.278 -1.799 1.00 0.00 C ATOM 613 C PHE A 42 60.476 -1.528 -1.885 1.00 0.00 C ATOM 614 O PHE A 42 60.828 -2.504 -2.518 1.00 0.00 O ATOM 615 CB PHE A 42 61.359 0.435 -3.153 1.00 0.00 C ATOM 616 CG PHE A 42 61.613 1.909 -2.947 1.00 0.00 C ATOM 617 CD1 PHE A 42 62.917 2.370 -2.728 1.00 0.00 C ATOM 618 CD2 PHE A 42 60.546 2.814 -2.976 1.00 0.00 C ATOM 619 CE1 PHE A 42 63.153 3.737 -2.537 1.00 0.00 C ATOM 620 CE2 PHE A 42 60.782 4.181 -2.785 1.00 0.00 C ATOM 621 CZ PHE A 42 62.085 4.642 -2.566 1.00 0.00 C ATOM 0 H PHE A 42 63.318 -0.998 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 42 60.959 0.392 -1.036 1.00 0.00 H new ATOM 0 HB2 PHE A 42 62.129 0.009 -3.797 1.00 0.00 H new ATOM 0 HB3 PHE A 42 60.404 0.287 -3.657 1.00 0.00 H new ATOM 0 HD1 PHE A 42 63.740 1.671 -2.706 1.00 0.00 H new ATOM 0 HD2 PHE A 42 59.541 2.458 -3.146 1.00 0.00 H new ATOM 0 HE1 PHE A 42 64.158 4.093 -2.367 1.00 0.00 H new ATOM 0 HE2 PHE A 42 59.959 4.879 -2.807 1.00 0.00 H new ATOM 0 HZ PHE A 42 62.267 5.696 -2.419 1.00 0.00 H new ATOM 631 N LEU A 43 59.334 -1.507 -1.254 1.00 0.00 N ATOM 632 CA LEU A 43 58.435 -2.693 -1.301 1.00 0.00 C ATOM 633 C LEU A 43 57.346 -2.464 -2.352 1.00 0.00 C ATOM 634 O LEU A 43 56.790 -1.389 -2.458 1.00 0.00 O ATOM 635 CB LEU A 43 57.787 -2.897 0.070 1.00 0.00 C ATOM 636 CG LEU A 43 57.201 -4.308 0.154 1.00 0.00 C ATOM 637 CD1 LEU A 43 57.786 -5.034 1.367 1.00 0.00 C ATOM 638 CD2 LEU A 43 55.681 -4.220 0.300 1.00 0.00 C ATOM 0 H LEU A 43 58.985 -0.719 -0.708 1.00 0.00 H new ATOM 0 HA LEU A 43 59.014 -3.579 -1.564 1.00 0.00 H new ATOM 0 HB2 LEU A 43 58.526 -2.751 0.858 1.00 0.00 H new ATOM 0 HB3 LEU A 43 57.003 -2.156 0.227 1.00 0.00 H new ATOM 0 HG LEU A 43 57.450 -4.858 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 43 57.368 -6.039 1.426 1.00 0.00 H new ATOM 0 HD12 LEU A 43 58.869 -5.097 1.266 1.00 0.00 H new ATOM 0 HD13 LEU A 43 57.538 -4.484 2.275 1.00 0.00 H new ATOM 0 HD21 LEU A 43 55.262 -5.225 0.360 1.00 0.00 H new ATOM 0 HD22 LEU A 43 55.434 -3.669 1.208 1.00 0.00 H new ATOM 0 HD23 LEU A 43 55.262 -3.703 -0.563 1.00 0.00 H new ATOM 650 N THR A 44 57.039 -3.464 -3.131 1.00 0.00 N ATOM 651 CA THR A 44 55.988 -3.301 -4.175 1.00 0.00 C ATOM 652 C THR A 44 54.710 -4.014 -3.730 1.00 0.00 C ATOM 653 O THR A 44 54.703 -4.752 -2.766 1.00 0.00 O ATOM 654 CB THR A 44 56.480 -3.908 -5.491 1.00 0.00 C ATOM 655 OG1 THR A 44 56.837 -5.267 -5.280 1.00 0.00 O ATOM 656 CG2 THR A 44 57.698 -3.129 -5.991 1.00 0.00 C ATOM 0 H THR A 44 57.470 -4.387 -3.090 1.00 0.00 H new ATOM 0 HA THR A 44 55.780 -2.241 -4.319 1.00 0.00 H new ATOM 0 HB THR A 44 55.686 -3.853 -6.236 1.00 0.00 H new ATOM 0 HG1 THR A 44 57.677 -5.310 -4.777 1.00 0.00 H new ATOM 0 HG21 THR A 44 58.047 -3.562 -6.928 1.00 0.00 H new ATOM 0 HG22 THR A 44 57.422 -2.087 -6.154 1.00 0.00 H new ATOM 0 HG23 THR A 44 58.494 -3.182 -5.248 1.00 0.00 H new ATOM 664 N LYS A 45 53.627 -3.799 -4.426 1.00 0.00 N ATOM 665 CA LYS A 45 52.350 -4.465 -4.042 1.00 0.00 C ATOM 666 C LYS A 45 52.365 -5.919 -4.522 1.00 0.00 C ATOM 667 O LYS A 45 51.405 -6.645 -4.359 1.00 0.00 O ATOM 668 CB LYS A 45 51.175 -3.728 -4.688 1.00 0.00 C ATOM 669 CG LYS A 45 49.870 -4.159 -4.016 1.00 0.00 C ATOM 670 CD LYS A 45 48.793 -4.375 -5.081 1.00 0.00 C ATOM 671 CE LYS A 45 48.655 -3.111 -5.931 1.00 0.00 C ATOM 672 NZ LYS A 45 48.531 -1.924 -5.039 1.00 0.00 N ATOM 0 H LYS A 45 53.571 -3.191 -5.243 1.00 0.00 H new ATOM 0 HA LYS A 45 52.242 -4.442 -2.958 1.00 0.00 H new ATOM 0 HB2 LYS A 45 51.309 -2.651 -4.589 1.00 0.00 H new ATOM 0 HB3 LYS A 45 51.137 -3.948 -5.755 1.00 0.00 H new ATOM 0 HG2 LYS A 45 50.026 -5.078 -3.450 1.00 0.00 H new ATOM 0 HG3 LYS A 45 49.546 -3.398 -3.306 1.00 0.00 H new ATOM 0 HD2 LYS A 45 49.056 -5.224 -5.712 1.00 0.00 H new ATOM 0 HD3 LYS A 45 47.841 -4.613 -4.607 1.00 0.00 H new ATOM 0 HE2 LYS A 45 49.522 -3.001 -6.582 1.00 0.00 H new ATOM 0 HE3 LYS A 45 47.780 -3.187 -6.576 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 48.108 -1.135 -5.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 47.925 -2.161 -4.227 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 49.473 -1.646 -4.698 1.00 0.00 H new ATOM 686 N LYS A 46 53.447 -6.352 -5.111 1.00 0.00 N ATOM 687 CA LYS A 46 53.519 -7.759 -5.596 1.00 0.00 C ATOM 688 C LYS A 46 54.433 -8.567 -4.674 1.00 0.00 C ATOM 689 O LYS A 46 55.066 -9.518 -5.088 1.00 0.00 O ATOM 690 CB LYS A 46 54.079 -7.781 -7.020 1.00 0.00 C ATOM 691 CG LYS A 46 53.961 -9.195 -7.594 1.00 0.00 C ATOM 692 CD LYS A 46 52.798 -9.248 -8.587 1.00 0.00 C ATOM 693 CE LYS A 46 51.666 -10.097 -8.005 1.00 0.00 C ATOM 694 NZ LYS A 46 50.617 -9.204 -7.438 1.00 0.00 N ATOM 0 H LYS A 46 54.283 -5.792 -5.277 1.00 0.00 H new ATOM 0 HA LYS A 46 52.521 -8.197 -5.594 1.00 0.00 H new ATOM 0 HB2 LYS A 46 53.534 -7.076 -7.647 1.00 0.00 H new ATOM 0 HB3 LYS A 46 55.122 -7.464 -7.017 1.00 0.00 H new ATOM 0 HG2 LYS A 46 54.890 -9.476 -8.090 1.00 0.00 H new ATOM 0 HG3 LYS A 46 53.799 -9.913 -6.790 1.00 0.00 H new ATOM 0 HD2 LYS A 46 52.440 -8.240 -8.797 1.00 0.00 H new ATOM 0 HD3 LYS A 46 53.134 -9.671 -9.534 1.00 0.00 H new ATOM 0 HE2 LYS A 46 51.238 -10.732 -8.780 1.00 0.00 H new ATOM 0 HE3 LYS A 46 52.054 -10.758 -7.230 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 50.204 -9.647 -6.592 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 51.042 -8.291 -7.178 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 49.872 -9.050 -8.147 1.00 0.00 H new ATOM 708 N GLY A 47 54.505 -8.195 -3.425 1.00 0.00 N ATOM 709 CA GLY A 47 55.371 -8.937 -2.474 1.00 0.00 C ATOM 710 C GLY A 47 56.810 -8.948 -2.992 1.00 0.00 C ATOM 711 O GLY A 47 57.557 -9.877 -2.760 1.00 0.00 O ATOM 0 H GLY A 47 53.998 -7.406 -3.024 1.00 0.00 H new ATOM 0 HA2 GLY A 47 55.332 -8.470 -1.490 1.00 0.00 H new ATOM 0 HA3 GLY A 47 55.008 -9.958 -2.357 1.00 0.00 H new ATOM 715 N ARG A 48 57.204 -7.919 -3.690 1.00 0.00 N ATOM 716 CA ARG A 48 58.595 -7.867 -4.222 1.00 0.00 C ATOM 717 C ARG A 48 59.297 -6.617 -3.688 1.00 0.00 C ATOM 718 O ARG A 48 58.687 -5.583 -3.500 1.00 0.00 O ATOM 719 CB ARG A 48 58.557 -7.818 -5.751 1.00 0.00 C ATOM 720 CG ARG A 48 59.746 -8.596 -6.317 1.00 0.00 C ATOM 721 CD ARG A 48 59.237 -9.778 -7.144 1.00 0.00 C ATOM 722 NE ARG A 48 58.173 -10.493 -6.385 1.00 0.00 N ATOM 723 CZ ARG A 48 57.543 -11.497 -6.933 1.00 0.00 C ATOM 724 NH1 ARG A 48 58.204 -12.562 -7.297 1.00 0.00 N ATOM 725 NH2 ARG A 48 56.253 -11.436 -7.117 1.00 0.00 N ATOM 0 H ARG A 48 56.623 -7.112 -3.915 1.00 0.00 H new ATOM 0 HA ARG A 48 59.140 -8.755 -3.902 1.00 0.00 H new ATOM 0 HB2 ARG A 48 57.623 -8.245 -6.116 1.00 0.00 H new ATOM 0 HB3 ARG A 48 58.590 -6.784 -6.093 1.00 0.00 H new ATOM 0 HG2 ARG A 48 60.360 -7.942 -6.937 1.00 0.00 H new ATOM 0 HG3 ARG A 48 60.380 -8.953 -5.505 1.00 0.00 H new ATOM 0 HD2 ARG A 48 58.844 -9.426 -8.098 1.00 0.00 H new ATOM 0 HD3 ARG A 48 60.058 -10.459 -7.369 1.00 0.00 H new ATOM 0 HE ARG A 48 57.937 -10.198 -5.438 1.00 0.00 H new ATOM 0 HH11 ARG A 48 59.213 -12.610 -7.153 1.00 0.00 H new ATOM 0 HH12 ARG A 48 57.712 -13.346 -7.725 1.00 0.00 H new ATOM 0 HH21 ARG A 48 55.736 -10.604 -6.833 1.00 0.00 H new ATOM 0 HH22 ARG A 48 55.761 -12.220 -7.545 1.00 0.00 H new ATOM 739 N ARG A 49 60.576 -6.703 -3.442 1.00 0.00 N ATOM 740 CA ARG A 49 61.315 -5.519 -2.920 1.00 0.00 C ATOM 741 C ARG A 49 62.673 -5.416 -3.617 1.00 0.00 C ATOM 742 O ARG A 49 63.303 -6.410 -3.918 1.00 0.00 O ATOM 743 CB ARG A 49 61.525 -5.674 -1.412 1.00 0.00 C ATOM 744 CG ARG A 49 62.496 -6.827 -1.147 1.00 0.00 C ATOM 745 CD ARG A 49 62.063 -7.580 0.113 1.00 0.00 C ATOM 746 NE ARG A 49 61.469 -8.891 -0.272 1.00 0.00 N ATOM 747 CZ ARG A 49 61.500 -9.892 0.565 1.00 0.00 C ATOM 748 NH1 ARG A 49 62.639 -10.446 0.878 1.00 0.00 N ATOM 749 NH2 ARG A 49 60.391 -10.339 1.089 1.00 0.00 N ATOM 0 H ARG A 49 61.140 -7.541 -3.580 1.00 0.00 H new ATOM 0 HA ARG A 49 60.738 -4.615 -3.116 1.00 0.00 H new ATOM 0 HB2 ARG A 49 61.919 -4.749 -0.992 1.00 0.00 H new ATOM 0 HB3 ARG A 49 60.572 -5.867 -0.919 1.00 0.00 H new ATOM 0 HG2 ARG A 49 62.514 -7.505 -2.000 1.00 0.00 H new ATOM 0 HG3 ARG A 49 63.509 -6.443 -1.024 1.00 0.00 H new ATOM 0 HD2 ARG A 49 62.919 -7.735 0.769 1.00 0.00 H new ATOM 0 HD3 ARG A 49 61.337 -6.989 0.671 1.00 0.00 H new ATOM 0 HE ARG A 49 61.038 -9.006 -1.189 1.00 0.00 H new ATOM 0 HH11 ARG A 49 63.506 -10.097 0.469 1.00 0.00 H new ATOM 0 HH12 ARG A 49 62.663 -11.228 1.532 1.00 0.00 H new ATOM 0 HH21 ARG A 49 59.500 -9.906 0.844 1.00 0.00 H new ATOM 0 HH22 ARG A 49 60.415 -11.121 1.743 1.00 0.00 H new ATOM 763 N PHE A 50 63.128 -4.221 -3.879 1.00 0.00 N ATOM 764 CA PHE A 50 64.445 -4.058 -4.558 1.00 0.00 C ATOM 765 C PHE A 50 65.211 -2.900 -3.915 1.00 0.00 C ATOM 766 O PHE A 50 64.635 -2.035 -3.286 1.00 0.00 O ATOM 767 CB PHE A 50 64.220 -3.761 -6.041 1.00 0.00 C ATOM 768 CG PHE A 50 63.000 -2.885 -6.200 1.00 0.00 C ATOM 769 CD1 PHE A 50 63.059 -1.533 -5.843 1.00 0.00 C ATOM 770 CD2 PHE A 50 61.811 -3.425 -6.704 1.00 0.00 C ATOM 771 CE1 PHE A 50 61.929 -0.720 -5.990 1.00 0.00 C ATOM 772 CE2 PHE A 50 60.680 -2.612 -6.851 1.00 0.00 C ATOM 773 CZ PHE A 50 60.739 -1.260 -6.494 1.00 0.00 C ATOM 0 H PHE A 50 62.645 -3.351 -3.653 1.00 0.00 H new ATOM 0 HA PHE A 50 65.023 -4.976 -4.455 1.00 0.00 H new ATOM 0 HB2 PHE A 50 65.095 -3.264 -6.460 1.00 0.00 H new ATOM 0 HB3 PHE A 50 64.087 -4.691 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 50 63.977 -1.117 -5.454 1.00 0.00 H new ATOM 0 HD2 PHE A 50 61.766 -4.468 -6.979 1.00 0.00 H new ATOM 0 HE1 PHE A 50 61.975 0.323 -5.715 1.00 0.00 H new ATOM 0 HE2 PHE A 50 59.762 -3.028 -7.240 1.00 0.00 H new ATOM 0 HZ PHE A 50 59.867 -0.633 -6.607 1.00 0.00 H new ATOM 783 N CYS A 51 66.507 -2.877 -4.068 1.00 0.00 N ATOM 784 CA CYS A 51 67.311 -1.781 -3.467 1.00 0.00 C ATOM 785 C CYS A 51 67.260 -0.550 -4.376 1.00 0.00 C ATOM 786 O CYS A 51 67.116 -0.660 -5.578 1.00 0.00 O ATOM 787 CB CYS A 51 68.759 -2.249 -3.322 1.00 0.00 C ATOM 788 SG CYS A 51 68.873 -3.453 -1.976 1.00 0.00 S ATOM 0 H CYS A 51 67.043 -3.574 -4.586 1.00 0.00 H new ATOM 0 HA CYS A 51 66.907 -1.521 -2.488 1.00 0.00 H new ATOM 0 HB2 CYS A 51 69.103 -2.697 -4.255 1.00 0.00 H new ATOM 0 HB3 CYS A 51 69.409 -1.398 -3.119 1.00 0.00 H new ATOM 793 N ALA A 52 67.379 0.621 -3.812 1.00 0.00 N ATOM 794 CA ALA A 52 67.339 1.857 -4.644 1.00 0.00 C ATOM 795 C ALA A 52 68.320 2.885 -4.076 1.00 0.00 C ATOM 796 O ALA A 52 68.685 2.835 -2.918 1.00 0.00 O ATOM 797 CB ALA A 52 65.924 2.439 -4.628 1.00 0.00 C ATOM 0 H ALA A 52 67.502 0.775 -2.811 1.00 0.00 H new ATOM 0 HA ALA A 52 67.619 1.614 -5.669 1.00 0.00 H new ATOM 0 HB1 ALA A 52 65.895 3.343 -5.237 1.00 0.00 H new ATOM 0 HB2 ALA A 52 65.225 1.707 -5.032 1.00 0.00 H new ATOM 0 HB3 ALA A 52 65.642 2.682 -3.604 1.00 0.00 H new ATOM 803 N ASN A 53 68.750 3.818 -4.882 1.00 0.00 N ATOM 804 CA ASN A 53 69.707 4.846 -4.386 1.00 0.00 C ATOM 805 C ASN A 53 68.926 6.040 -3.819 1.00 0.00 C ATOM 806 O ASN A 53 68.086 6.601 -4.496 1.00 0.00 O ATOM 807 CB ASN A 53 70.588 5.320 -5.544 1.00 0.00 C ATOM 808 CG ASN A 53 71.807 6.058 -4.989 1.00 0.00 C ATOM 809 OD1 ASN A 53 71.693 7.167 -4.506 1.00 0.00 O ATOM 810 ND2 ASN A 53 72.979 5.485 -5.037 1.00 0.00 N ATOM 0 H ASN A 53 68.480 3.912 -5.861 1.00 0.00 H new ATOM 0 HA ASN A 53 70.332 4.415 -3.604 1.00 0.00 H new ATOM 0 HB2 ASN A 53 70.908 4.468 -6.144 1.00 0.00 H new ATOM 0 HB3 ASN A 53 70.020 5.978 -6.202 1.00 0.00 H new ATOM 0 HD21 ASN A 53 73.798 5.968 -4.669 1.00 0.00 H new ATOM 0 HD22 ASN A 53 73.075 4.554 -5.442 1.00 0.00 H new ATOM 817 N PRO A 54 69.224 6.398 -2.593 1.00 0.00 N ATOM 818 CA PRO A 54 68.557 7.523 -1.916 1.00 0.00 C ATOM 819 C PRO A 54 69.091 8.855 -2.447 1.00 0.00 C ATOM 820 O PRO A 54 68.679 9.915 -2.021 1.00 0.00 O ATOM 821 CB PRO A 54 68.921 7.327 -0.442 1.00 0.00 C ATOM 822 CG PRO A 54 70.203 6.462 -0.423 1.00 0.00 C ATOM 823 CD PRO A 54 70.254 5.725 -1.774 1.00 0.00 C ATOM 0 HA PRO A 54 67.479 7.545 -2.078 1.00 0.00 H new ATOM 0 HB2 PRO A 54 69.092 8.286 0.047 1.00 0.00 H new ATOM 0 HB3 PRO A 54 68.111 6.834 0.096 1.00 0.00 H new ATOM 0 HG2 PRO A 54 71.088 7.083 -0.287 1.00 0.00 H new ATOM 0 HG3 PRO A 54 70.180 5.753 0.405 1.00 0.00 H new ATOM 0 HD2 PRO A 54 71.240 5.801 -2.232 1.00 0.00 H new ATOM 0 HD3 PRO A 54 70.038 4.663 -1.657 1.00 0.00 H new ATOM 831 N SER A 55 70.001 8.807 -3.380 1.00 0.00 N ATOM 832 CA SER A 55 70.554 10.068 -3.944 1.00 0.00 C ATOM 833 C SER A 55 69.731 10.474 -5.167 1.00 0.00 C ATOM 834 O SER A 55 69.877 11.559 -5.694 1.00 0.00 O ATOM 835 CB SER A 55 72.010 9.849 -4.358 1.00 0.00 C ATOM 836 OG SER A 55 72.744 9.350 -3.247 1.00 0.00 O ATOM 0 H SER A 55 70.385 7.949 -3.776 1.00 0.00 H new ATOM 0 HA SER A 55 70.508 10.856 -3.192 1.00 0.00 H new ATOM 0 HB2 SER A 55 72.062 9.145 -5.189 1.00 0.00 H new ATOM 0 HB3 SER A 55 72.446 10.785 -4.706 1.00 0.00 H new ATOM 0 HG SER A 55 72.679 8.372 -3.225 1.00 0.00 H new ATOM 842 N ASP A 56 68.863 9.610 -5.625 1.00 0.00 N ATOM 843 CA ASP A 56 68.031 9.951 -6.813 1.00 0.00 C ATOM 844 C ASP A 56 66.906 10.899 -6.391 1.00 0.00 C ATOM 845 O ASP A 56 66.122 10.596 -5.515 1.00 0.00 O ATOM 846 CB ASP A 56 67.429 8.673 -7.399 1.00 0.00 C ATOM 847 CG ASP A 56 66.907 8.954 -8.809 1.00 0.00 C ATOM 848 OD1 ASP A 56 67.723 9.073 -9.708 1.00 0.00 O ATOM 849 OD2 ASP A 56 65.701 9.044 -8.965 1.00 0.00 O ATOM 0 H ASP A 56 68.696 8.686 -5.228 1.00 0.00 H new ATOM 0 HA ASP A 56 68.653 10.436 -7.565 1.00 0.00 H new ATOM 0 HB2 ASP A 56 68.181 7.885 -7.429 1.00 0.00 H new ATOM 0 HB3 ASP A 56 66.618 8.316 -6.764 1.00 0.00 H new ATOM 854 N LYS A 57 66.822 12.046 -7.008 1.00 0.00 N ATOM 855 CA LYS A 57 65.748 13.011 -6.642 1.00 0.00 C ATOM 856 C LYS A 57 64.391 12.305 -6.683 1.00 0.00 C ATOM 857 O LYS A 57 63.533 12.541 -5.856 1.00 0.00 O ATOM 858 CB LYS A 57 65.746 14.176 -7.635 1.00 0.00 C ATOM 859 CG LYS A 57 67.180 14.655 -7.865 1.00 0.00 C ATOM 860 CD LYS A 57 67.158 16.062 -8.467 1.00 0.00 C ATOM 861 CE LYS A 57 67.731 16.020 -9.885 1.00 0.00 C ATOM 862 NZ LYS A 57 68.956 15.173 -9.901 1.00 0.00 N ATOM 0 H LYS A 57 67.450 12.356 -7.749 1.00 0.00 H new ATOM 0 HA LYS A 57 65.930 13.391 -5.637 1.00 0.00 H new ATOM 0 HB2 LYS A 57 65.301 13.862 -8.579 1.00 0.00 H new ATOM 0 HB3 LYS A 57 65.136 14.993 -7.251 1.00 0.00 H new ATOM 0 HG2 LYS A 57 67.729 14.659 -6.923 1.00 0.00 H new ATOM 0 HG3 LYS A 57 67.701 13.970 -8.534 1.00 0.00 H new ATOM 0 HD2 LYS A 57 66.137 16.444 -8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 57 67.742 16.743 -7.848 1.00 0.00 H new ATOM 0 HE2 LYS A 57 66.990 15.619 -10.576 1.00 0.00 H new ATOM 0 HE3 LYS A 57 67.969 17.029 -10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 69.641 15.566 -10.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 69.379 15.156 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 68.705 14.205 -10.186 1.00 0.00 H new ATOM 876 N GLN A 58 64.190 11.440 -7.639 1.00 0.00 N ATOM 877 CA GLN A 58 62.889 10.721 -7.730 1.00 0.00 C ATOM 878 C GLN A 58 62.646 9.942 -6.436 1.00 0.00 C ATOM 879 O GLN A 58 61.523 9.756 -6.013 1.00 0.00 O ATOM 880 CB GLN A 58 62.922 9.751 -8.912 1.00 0.00 C ATOM 881 CG GLN A 58 61.531 9.669 -9.545 1.00 0.00 C ATOM 882 CD GLN A 58 61.641 9.895 -11.053 1.00 0.00 C ATOM 883 OE1 GLN A 58 62.575 9.437 -11.681 1.00 0.00 O ATOM 884 NE2 GLN A 58 60.720 10.587 -11.666 1.00 0.00 N ATOM 0 H GLN A 58 64.870 11.201 -8.360 1.00 0.00 H new ATOM 0 HA GLN A 58 62.085 11.442 -7.876 1.00 0.00 H new ATOM 0 HB2 GLN A 58 63.650 10.086 -9.651 1.00 0.00 H new ATOM 0 HB3 GLN A 58 63.239 8.764 -8.577 1.00 0.00 H new ATOM 0 HG2 GLN A 58 61.086 8.695 -9.344 1.00 0.00 H new ATOM 0 HG3 GLN A 58 60.874 10.417 -9.102 1.00 0.00 H new ATOM 0 HE21 GLN A 58 59.936 10.972 -11.139 1.00 0.00 H new ATOM 0 HE22 GLN A 58 60.784 10.743 -12.672 1.00 0.00 H new ATOM 893 N VAL A 59 63.692 9.486 -5.802 1.00 0.00 N ATOM 894 CA VAL A 59 63.520 8.722 -4.535 1.00 0.00 C ATOM 895 C VAL A 59 63.110 9.682 -3.416 1.00 0.00 C ATOM 896 O VAL A 59 62.229 9.395 -2.630 1.00 0.00 O ATOM 897 CB VAL A 59 64.839 8.041 -4.165 1.00 0.00 C ATOM 898 CG1 VAL A 59 64.751 7.497 -2.737 1.00 0.00 C ATOM 899 CG2 VAL A 59 65.105 6.886 -5.133 1.00 0.00 C ATOM 0 H VAL A 59 64.657 9.610 -6.107 1.00 0.00 H new ATOM 0 HA VAL A 59 62.747 7.965 -4.668 1.00 0.00 H new ATOM 0 HB VAL A 59 65.651 8.765 -4.229 1.00 0.00 H new ATOM 0 HG11 VAL A 59 65.691 7.012 -2.474 1.00 0.00 H new ATOM 0 HG12 VAL A 59 64.561 8.318 -2.046 1.00 0.00 H new ATOM 0 HG13 VAL A 59 63.939 6.773 -2.673 1.00 0.00 H new ATOM 0 HG21 VAL A 59 66.045 6.400 -4.870 1.00 0.00 H new ATOM 0 HG22 VAL A 59 64.292 6.163 -5.069 1.00 0.00 H new ATOM 0 HG23 VAL A 59 65.168 7.271 -6.151 1.00 0.00 H new ATOM 909 N GLN A 60 63.743 10.821 -3.339 1.00 0.00 N ATOM 910 CA GLN A 60 63.388 11.799 -2.273 1.00 0.00 C ATOM 911 C GLN A 60 61.991 12.360 -2.542 1.00 0.00 C ATOM 912 O GLN A 60 61.220 12.595 -1.632 1.00 0.00 O ATOM 913 CB GLN A 60 64.406 12.942 -2.271 1.00 0.00 C ATOM 914 CG GLN A 60 65.710 12.464 -1.629 1.00 0.00 C ATOM 915 CD GLN A 60 65.939 13.214 -0.315 1.00 0.00 C ATOM 916 OE1 GLN A 60 65.092 13.209 0.556 1.00 0.00 O ATOM 917 NE2 GLN A 60 67.056 13.863 -0.135 1.00 0.00 N ATOM 0 H GLN A 60 64.490 11.116 -3.968 1.00 0.00 H new ATOM 0 HA GLN A 60 63.399 11.301 -1.303 1.00 0.00 H new ATOM 0 HB2 GLN A 60 64.593 13.279 -3.291 1.00 0.00 H new ATOM 0 HB3 GLN A 60 64.009 13.795 -1.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 65.664 11.391 -1.444 1.00 0.00 H new ATOM 0 HG3 GLN A 60 66.546 12.635 -2.308 1.00 0.00 H new ATOM 0 HE21 GLN A 60 67.767 13.867 -0.866 1.00 0.00 H new ATOM 0 HE22 GLN A 60 67.219 14.366 0.737 1.00 0.00 H new ATOM 926 N VAL A 61 61.657 12.575 -3.785 1.00 0.00 N ATOM 927 CA VAL A 61 60.309 13.119 -4.111 1.00 0.00 C ATOM 928 C VAL A 61 59.245 12.067 -3.791 1.00 0.00 C ATOM 929 O VAL A 61 58.202 12.370 -3.247 1.00 0.00 O ATOM 930 CB VAL A 61 60.248 13.470 -5.599 1.00 0.00 C ATOM 931 CG1 VAL A 61 58.801 13.772 -5.994 1.00 0.00 C ATOM 932 CG2 VAL A 61 61.116 14.701 -5.866 1.00 0.00 C ATOM 0 H VAL A 61 62.259 12.397 -4.589 1.00 0.00 H new ATOM 0 HA VAL A 61 60.124 14.015 -3.518 1.00 0.00 H new ATOM 0 HB VAL A 61 60.616 12.629 -6.187 1.00 0.00 H new ATOM 0 HG11 VAL A 61 58.758 14.022 -7.054 1.00 0.00 H new ATOM 0 HG12 VAL A 61 58.181 12.896 -5.802 1.00 0.00 H new ATOM 0 HG13 VAL A 61 58.432 14.613 -5.407 1.00 0.00 H new ATOM 0 HG21 VAL A 61 61.074 14.953 -6.926 1.00 0.00 H new ATOM 0 HG22 VAL A 61 60.746 15.541 -5.278 1.00 0.00 H new ATOM 0 HG23 VAL A 61 62.147 14.487 -5.584 1.00 0.00 H new ATOM 942 N CYS A 62 59.501 10.831 -4.123 1.00 0.00 N ATOM 943 CA CYS A 62 58.505 9.760 -3.836 1.00 0.00 C ATOM 944 C CYS A 62 58.545 9.415 -2.346 1.00 0.00 C ATOM 945 O CYS A 62 57.530 9.152 -1.733 1.00 0.00 O ATOM 946 CB CYS A 62 58.844 8.515 -4.657 1.00 0.00 C ATOM 947 SG CYS A 62 57.561 8.248 -5.906 1.00 0.00 S ATOM 0 H CYS A 62 60.357 10.517 -4.581 1.00 0.00 H new ATOM 0 HA CYS A 62 57.507 10.110 -4.102 1.00 0.00 H new ATOM 0 HB2 CYS A 62 59.815 8.636 -5.138 1.00 0.00 H new ATOM 0 HB3 CYS A 62 58.918 7.645 -4.004 1.00 0.00 H new ATOM 952 N MET A 63 59.711 9.414 -1.759 1.00 0.00 N ATOM 953 CA MET A 63 59.815 9.086 -0.309 1.00 0.00 C ATOM 954 C MET A 63 58.874 9.992 0.487 1.00 0.00 C ATOM 955 O MET A 63 58.493 9.684 1.599 1.00 0.00 O ATOM 956 CB MET A 63 61.254 9.306 0.161 1.00 0.00 C ATOM 957 CG MET A 63 62.067 8.030 -0.066 1.00 0.00 C ATOM 958 SD MET A 63 63.250 7.820 1.288 1.00 0.00 S ATOM 959 CE MET A 63 64.016 6.295 0.686 1.00 0.00 C ATOM 0 H MET A 63 60.595 9.626 -2.221 1.00 0.00 H new ATOM 0 HA MET A 63 59.536 8.044 -0.151 1.00 0.00 H new ATOM 0 HB2 MET A 63 61.702 10.137 -0.384 1.00 0.00 H new ATOM 0 HB3 MET A 63 61.266 9.574 1.218 1.00 0.00 H new ATOM 0 HG2 MET A 63 61.403 7.167 -0.120 1.00 0.00 H new ATOM 0 HG3 MET A 63 62.594 8.086 -1.018 1.00 0.00 H new ATOM 0 HE1 MET A 63 64.441 5.745 1.526 1.00 0.00 H new ATOM 0 HE2 MET A 63 63.263 5.680 0.193 1.00 0.00 H new ATOM 0 HE3 MET A 63 64.806 6.540 -0.024 1.00 0.00 H new ATOM 969 N ARG A 64 58.495 11.108 -0.073 1.00 0.00 N ATOM 970 CA ARG A 64 57.579 12.033 0.652 1.00 0.00 C ATOM 971 C ARG A 64 56.145 11.511 0.554 1.00 0.00 C ATOM 972 O ARG A 64 55.406 11.510 1.519 1.00 0.00 O ATOM 973 CB ARG A 64 57.659 13.426 0.025 1.00 0.00 C ATOM 974 CG ARG A 64 58.983 14.086 0.415 1.00 0.00 C ATOM 975 CD ARG A 64 58.831 14.771 1.774 1.00 0.00 C ATOM 976 NE ARG A 64 59.959 15.722 1.980 1.00 0.00 N ATOM 977 CZ ARG A 64 60.295 16.084 3.188 1.00 0.00 C ATOM 978 NH1 ARG A 64 59.460 16.770 3.920 1.00 0.00 N ATOM 979 NH2 ARG A 64 61.466 15.761 3.664 1.00 0.00 N ATOM 0 H ARG A 64 58.780 11.419 -1.002 1.00 0.00 H new ATOM 0 HA ARG A 64 57.874 12.089 1.700 1.00 0.00 H new ATOM 0 HB2 ARG A 64 57.583 13.353 -1.060 1.00 0.00 H new ATOM 0 HB3 ARG A 64 56.822 14.037 0.363 1.00 0.00 H new ATOM 0 HG2 ARG A 64 59.775 13.338 0.459 1.00 0.00 H new ATOM 0 HG3 ARG A 64 59.275 14.815 -0.341 1.00 0.00 H new ATOM 0 HD2 ARG A 64 57.880 15.302 1.821 1.00 0.00 H new ATOM 0 HD3 ARG A 64 58.820 14.026 2.569 1.00 0.00 H new ATOM 0 HE ARG A 64 60.469 16.090 1.177 1.00 0.00 H new ATOM 0 HH11 ARG A 64 58.545 17.023 3.548 1.00 0.00 H new ATOM 0 HH12 ARG A 64 59.723 17.053 4.864 1.00 0.00 H new ATOM 0 HH21 ARG A 64 62.119 15.226 3.092 1.00 0.00 H new ATOM 0 HH22 ARG A 64 61.728 16.044 4.608 1.00 0.00 H new ATOM 993 N MET A 65 55.744 11.066 -0.606 1.00 0.00 N ATOM 994 CA MET A 65 54.358 10.544 -0.765 1.00 0.00 C ATOM 995 C MET A 65 54.159 9.335 0.151 1.00 0.00 C ATOM 996 O MET A 65 53.146 9.202 0.808 1.00 0.00 O ATOM 997 CB MET A 65 54.136 10.125 -2.220 1.00 0.00 C ATOM 998 CG MET A 65 52.643 9.905 -2.467 1.00 0.00 C ATOM 999 SD MET A 65 52.394 9.297 -4.154 1.00 0.00 S ATOM 1000 CE MET A 65 50.927 8.292 -3.819 1.00 0.00 C ATOM 0 H MET A 65 56.317 11.042 -1.450 1.00 0.00 H new ATOM 0 HA MET A 65 53.643 11.322 -0.498 1.00 0.00 H new ATOM 0 HB2 MET A 65 54.517 10.893 -2.893 1.00 0.00 H new ATOM 0 HB3 MET A 65 54.689 9.211 -2.434 1.00 0.00 H new ATOM 0 HG2 MET A 65 52.246 9.188 -1.748 1.00 0.00 H new ATOM 0 HG3 MET A 65 52.098 10.838 -2.321 1.00 0.00 H new ATOM 0 HE1 MET A 65 50.595 7.814 -4.741 1.00 0.00 H new ATOM 0 HE2 MET A 65 51.170 7.527 -3.081 1.00 0.00 H new ATOM 0 HE3 MET A 65 50.131 8.928 -3.433 1.00 0.00 H new ATOM 1010 N LEU A 66 55.119 8.452 0.201 1.00 0.00 N ATOM 1011 CA LEU A 66 54.983 7.253 1.075 1.00 0.00 C ATOM 1012 C LEU A 66 55.149 7.666 2.539 1.00 0.00 C ATOM 1013 O LEU A 66 54.438 7.202 3.409 1.00 0.00 O ATOM 1014 CB LEU A 66 56.060 6.229 0.709 1.00 0.00 C ATOM 1015 CG LEU A 66 55.590 5.401 -0.488 1.00 0.00 C ATOM 1016 CD1 LEU A 66 55.378 6.319 -1.692 1.00 0.00 C ATOM 1017 CD2 LEU A 66 56.652 4.353 -0.828 1.00 0.00 C ATOM 0 H LEU A 66 55.991 8.509 -0.325 1.00 0.00 H new ATOM 0 HA LEU A 66 53.997 6.810 0.932 1.00 0.00 H new ATOM 0 HB2 LEU A 66 56.994 6.737 0.469 1.00 0.00 H new ATOM 0 HB3 LEU A 66 56.261 5.577 1.559 1.00 0.00 H new ATOM 0 HG LEU A 66 54.652 4.904 -0.241 1.00 0.00 H new ATOM 0 HD11 LEU A 66 55.043 5.729 -2.545 1.00 0.00 H new ATOM 0 HD12 LEU A 66 54.624 7.068 -1.450 1.00 0.00 H new ATOM 0 HD13 LEU A 66 56.316 6.816 -1.940 1.00 0.00 H new ATOM 0 HD21 LEU A 66 56.319 3.761 -1.681 1.00 0.00 H new ATOM 0 HD22 LEU A 66 57.589 4.852 -1.076 1.00 0.00 H new ATOM 0 HD23 LEU A 66 56.805 3.698 0.030 1.00 0.00 H new ATOM 1029 N LYS A 67 56.082 8.534 2.820 1.00 0.00 N ATOM 1030 CA LYS A 67 56.291 8.974 4.228 1.00 0.00 C ATOM 1031 C LYS A 67 54.945 9.350 4.850 1.00 0.00 C ATOM 1032 O LYS A 67 54.712 9.141 6.024 1.00 0.00 O ATOM 1033 CB LYS A 67 57.221 10.189 4.250 1.00 0.00 C ATOM 1034 CG LYS A 67 57.630 10.493 5.693 1.00 0.00 C ATOM 1035 CD LYS A 67 58.087 11.950 5.798 1.00 0.00 C ATOM 1036 CE LYS A 67 59.612 12.014 5.709 1.00 0.00 C ATOM 1037 NZ LYS A 67 60.187 12.098 7.082 1.00 0.00 N ATOM 0 H LYS A 67 56.708 8.957 2.135 1.00 0.00 H new ATOM 0 HA LYS A 67 56.741 8.162 4.800 1.00 0.00 H new ATOM 0 HB2 LYS A 67 58.105 9.994 3.643 1.00 0.00 H new ATOM 0 HB3 LYS A 67 56.719 11.052 3.814 1.00 0.00 H new ATOM 0 HG2 LYS A 67 56.791 10.315 6.365 1.00 0.00 H new ATOM 0 HG3 LYS A 67 58.434 9.825 6.003 1.00 0.00 H new ATOM 0 HD2 LYS A 67 57.640 12.541 4.998 1.00 0.00 H new ATOM 0 HD3 LYS A 67 57.749 12.381 6.740 1.00 0.00 H new ATOM 0 HE2 LYS A 67 59.994 11.131 5.196 1.00 0.00 H new ATOM 0 HE3 LYS A 67 59.917 12.880 5.122 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 61.224 12.142 7.022 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 59.831 12.953 7.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 59.907 11.258 7.628 1.00 0.00 H new ATOM 1051 N LEU A 68 54.058 9.902 4.071 1.00 0.00 N ATOM 1052 CA LEU A 68 52.727 10.291 4.615 1.00 0.00 C ATOM 1053 C LEU A 68 52.060 9.069 5.249 1.00 0.00 C ATOM 1054 O LEU A 68 51.929 8.031 4.631 1.00 0.00 O ATOM 1055 CB LEU A 68 51.848 10.821 3.480 1.00 0.00 C ATOM 1056 CG LEU A 68 51.306 12.201 3.856 1.00 0.00 C ATOM 1057 CD1 LEU A 68 50.321 12.064 5.018 1.00 0.00 C ATOM 1058 CD2 LEU A 68 52.466 13.106 4.276 1.00 0.00 C ATOM 0 H LEU A 68 54.197 10.101 3.080 1.00 0.00 H new ATOM 0 HA LEU A 68 52.854 11.068 5.369 1.00 0.00 H new ATOM 0 HB2 LEU A 68 52.426 10.884 2.558 1.00 0.00 H new ATOM 0 HB3 LEU A 68 51.023 10.133 3.293 1.00 0.00 H new ATOM 0 HG LEU A 68 50.796 12.637 2.997 1.00 0.00 H new ATOM 0 HD11 LEU A 68 49.935 13.048 5.286 1.00 0.00 H new ATOM 0 HD12 LEU A 68 49.495 11.419 4.720 1.00 0.00 H new ATOM 0 HD13 LEU A 68 50.830 11.628 5.877 1.00 0.00 H new ATOM 0 HD21 LEU A 68 52.081 14.090 4.544 1.00 0.00 H new ATOM 0 HD22 LEU A 68 52.976 12.669 5.135 1.00 0.00 H new ATOM 0 HD23 LEU A 68 53.169 13.204 3.449 1.00 0.00 H new ATOM 1070 N ASP A 69 51.637 9.183 6.479 1.00 0.00 N ATOM 1071 CA ASP A 69 50.979 8.026 7.150 1.00 0.00 C ATOM 1072 C ASP A 69 49.568 7.845 6.588 1.00 0.00 C ATOM 1073 O ASP A 69 49.302 6.931 5.832 1.00 0.00 O ATOM 1074 CB ASP A 69 50.899 8.288 8.656 1.00 0.00 C ATOM 1075 CG ASP A 69 51.859 7.349 9.389 1.00 0.00 C ATOM 1076 OD1 ASP A 69 53.037 7.662 9.442 1.00 0.00 O ATOM 1077 OD2 ASP A 69 51.400 6.334 9.885 1.00 0.00 O ATOM 0 H ASP A 69 51.719 10.026 7.047 1.00 0.00 H new ATOM 0 HA ASP A 69 51.561 7.122 6.969 1.00 0.00 H new ATOM 0 HB2 ASP A 69 51.155 9.326 8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 69 49.880 8.132 9.009 1.00 0.00 H new ATOM 1082 N THR A 70 48.660 8.710 6.949 1.00 0.00 N ATOM 1083 CA THR A 70 47.267 8.587 6.435 1.00 0.00 C ATOM 1084 C THR A 70 46.662 7.264 6.910 1.00 0.00 C ATOM 1085 O THR A 70 47.353 6.398 7.408 1.00 0.00 O ATOM 1086 CB THR A 70 47.283 8.620 4.905 1.00 0.00 C ATOM 1087 OG1 THR A 70 48.550 9.084 4.457 1.00 0.00 O ATOM 1088 CG2 THR A 70 46.186 9.558 4.400 1.00 0.00 C ATOM 0 H THR A 70 48.823 9.497 7.578 1.00 0.00 H new ATOM 0 HA THR A 70 46.667 9.416 6.810 1.00 0.00 H new ATOM 0 HB THR A 70 47.105 7.617 4.518 1.00 0.00 H new ATOM 0 HG1 THR A 70 48.563 9.104 3.477 1.00 0.00 H new ATOM 0 HG21 THR A 70 46.199 9.580 3.310 1.00 0.00 H new ATOM 0 HG22 THR A 70 45.215 9.201 4.744 1.00 0.00 H new ATOM 0 HG23 THR A 70 46.360 10.563 4.785 1.00 0.00 H new ATOM 1096 N ARG A 71 45.376 7.101 6.760 1.00 0.00 N ATOM 1097 CA ARG A 71 44.729 5.835 7.203 1.00 0.00 C ATOM 1098 C ARG A 71 44.934 5.656 8.708 1.00 0.00 C ATOM 1099 O ARG A 71 45.960 6.015 9.251 1.00 0.00 O ATOM 1100 CB ARG A 71 45.356 4.654 6.459 1.00 0.00 C ATOM 1101 CG ARG A 71 44.266 3.647 6.087 1.00 0.00 C ATOM 1102 CD ARG A 71 44.775 2.227 6.337 1.00 0.00 C ATOM 1103 NE ARG A 71 45.299 1.656 5.065 1.00 0.00 N ATOM 1104 CZ ARG A 71 45.076 0.405 4.770 1.00 0.00 C ATOM 1105 NH1 ARG A 71 44.934 -0.475 5.723 1.00 0.00 N ATOM 1106 NH2 ARG A 71 44.993 0.033 3.521 1.00 0.00 N ATOM 0 H ARG A 71 44.746 7.790 6.350 1.00 0.00 H new ATOM 0 HA ARG A 71 43.662 5.877 6.984 1.00 0.00 H new ATOM 0 HB2 ARG A 71 45.863 5.005 5.560 1.00 0.00 H new ATOM 0 HB3 ARG A 71 46.110 4.175 7.084 1.00 0.00 H new ATOM 0 HG2 ARG A 71 43.369 3.832 6.677 1.00 0.00 H new ATOM 0 HG3 ARG A 71 43.989 3.766 5.040 1.00 0.00 H new ATOM 0 HD2 ARG A 71 45.560 2.238 7.093 1.00 0.00 H new ATOM 0 HD3 ARG A 71 43.969 1.603 6.723 1.00 0.00 H new ATOM 0 HE ARG A 71 45.833 2.243 4.424 1.00 0.00 H new ATOM 0 HH11 ARG A 71 44.997 -0.185 6.699 1.00 0.00 H new ATOM 0 HH12 ARG A 71 44.760 -1.453 5.492 1.00 0.00 H new ATOM 0 HH21 ARG A 71 45.103 0.721 2.776 1.00 0.00 H new ATOM 0 HH22 ARG A 71 44.819 -0.945 3.291 1.00 0.00 H new ATOM 1120 N ILE A 72 43.966 5.104 9.388 1.00 0.00 N ATOM 1121 CA ILE A 72 44.109 4.905 10.858 1.00 0.00 C ATOM 1122 C ILE A 72 44.330 6.258 11.537 1.00 0.00 C ATOM 1123 O ILE A 72 45.429 6.774 11.571 1.00 0.00 O ATOM 1124 CB ILE A 72 45.306 3.994 11.136 1.00 0.00 C ATOM 1125 CG1 ILE A 72 45.041 2.609 10.540 1.00 0.00 C ATOM 1126 CG2 ILE A 72 45.512 3.866 12.646 1.00 0.00 C ATOM 1127 CD1 ILE A 72 46.229 1.691 10.832 1.00 0.00 C ATOM 0 H ILE A 72 43.084 4.783 8.990 1.00 0.00 H new ATOM 0 HA ILE A 72 43.203 4.444 11.251 1.00 0.00 H new ATOM 0 HB ILE A 72 46.200 4.422 10.683 1.00 0.00 H new ATOM 0 HG12 ILE A 72 44.130 2.188 10.964 1.00 0.00 H new ATOM 0 HG13 ILE A 72 44.885 2.688 9.464 1.00 0.00 H new ATOM 0 HG21 ILE A 72 46.365 3.217 12.843 1.00 0.00 H new ATOM 0 HG22 ILE A 72 45.700 4.851 13.072 1.00 0.00 H new ATOM 0 HG23 ILE A 72 44.618 3.439 13.100 1.00 0.00 H new ATOM 0 HD11 ILE A 72 46.040 0.705 10.408 1.00 0.00 H new ATOM 0 HD12 ILE A 72 47.131 2.111 10.387 1.00 0.00 H new ATOM 0 HD13 ILE A 72 46.364 1.602 11.910 1.00 0.00 H new ATOM 1139 N LYS A 73 43.293 6.838 12.077 1.00 0.00 N ATOM 1140 CA LYS A 73 43.445 8.157 12.751 1.00 0.00 C ATOM 1141 C LYS A 73 44.037 7.953 14.147 1.00 0.00 C ATOM 1142 O LYS A 73 43.331 7.686 15.099 1.00 0.00 O ATOM 1143 CB LYS A 73 42.073 8.823 12.871 1.00 0.00 C ATOM 1144 CG LYS A 73 41.044 7.794 13.344 1.00 0.00 C ATOM 1145 CD LYS A 73 40.274 8.355 14.541 1.00 0.00 C ATOM 1146 CE LYS A 73 39.052 7.478 14.821 1.00 0.00 C ATOM 1147 NZ LYS A 73 39.483 6.233 15.518 1.00 0.00 N ATOM 0 H LYS A 73 42.348 6.455 12.080 1.00 0.00 H new ATOM 0 HA LYS A 73 44.110 8.792 12.166 1.00 0.00 H new ATOM 0 HB2 LYS A 73 42.121 9.654 13.574 1.00 0.00 H new ATOM 0 HB3 LYS A 73 41.773 9.237 11.908 1.00 0.00 H new ATOM 0 HG2 LYS A 73 40.355 7.555 12.534 1.00 0.00 H new ATOM 0 HG3 LYS A 73 41.543 6.866 13.622 1.00 0.00 H new ATOM 0 HD2 LYS A 73 40.920 8.388 15.419 1.00 0.00 H new ATOM 0 HD3 LYS A 73 39.961 9.379 14.337 1.00 0.00 H new ATOM 0 HE2 LYS A 73 38.334 8.021 15.435 1.00 0.00 H new ATOM 0 HE3 LYS A 73 38.548 7.229 13.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 38.653 5.637 15.709 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 40.153 5.712 14.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 39.945 6.480 16.416 1.00 0.00 H new ATOM 1161 N THR A 74 45.330 8.077 14.277 1.00 0.00 N ATOM 1162 CA THR A 74 45.966 7.892 15.611 1.00 0.00 C ATOM 1163 C THR A 74 46.114 9.251 16.298 1.00 0.00 C ATOM 1164 O THR A 74 45.681 10.265 15.789 1.00 0.00 O ATOM 1165 CB THR A 74 47.347 7.255 15.434 1.00 0.00 C ATOM 1166 OG1 THR A 74 47.721 7.313 14.065 1.00 0.00 O ATOM 1167 CG2 THR A 74 47.301 5.797 15.892 1.00 0.00 C ATOM 0 H THR A 74 45.973 8.298 13.517 1.00 0.00 H new ATOM 0 HA THR A 74 45.342 7.241 16.224 1.00 0.00 H new ATOM 0 HB THR A 74 48.078 7.798 16.034 1.00 0.00 H new ATOM 0 HG1 THR A 74 48.606 6.907 13.950 1.00 0.00 H new ATOM 0 HG21 THR A 74 48.285 5.345 15.765 1.00 0.00 H new ATOM 0 HG22 THR A 74 47.015 5.755 16.943 1.00 0.00 H new ATOM 0 HG23 THR A 74 46.571 5.251 15.295 1.00 0.00 H new ATOM 1175 N ARG A 75 46.723 9.280 17.452 1.00 0.00 N ATOM 1176 CA ARG A 75 46.897 10.574 18.170 1.00 0.00 C ATOM 1177 C ARG A 75 48.386 10.921 18.243 1.00 0.00 C ATOM 1178 O ARG A 75 49.103 10.444 19.100 1.00 0.00 O ATOM 1179 CB ARG A 75 46.332 10.453 19.587 1.00 0.00 C ATOM 1180 CG ARG A 75 46.355 11.824 20.265 1.00 0.00 C ATOM 1181 CD ARG A 75 45.763 11.707 21.671 1.00 0.00 C ATOM 1182 NE ARG A 75 44.598 12.629 21.797 1.00 0.00 N ATOM 1183 CZ ARG A 75 43.548 12.264 22.480 1.00 0.00 C ATOM 1184 NH1 ARG A 75 43.023 11.084 22.289 1.00 0.00 N ATOM 1185 NH2 ARG A 75 43.023 13.077 23.355 1.00 0.00 N ATOM 0 H ARG A 75 47.107 8.464 17.928 1.00 0.00 H new ATOM 0 HA ARG A 75 46.366 11.360 17.634 1.00 0.00 H new ATOM 0 HB2 ARG A 75 45.312 10.070 19.552 1.00 0.00 H new ATOM 0 HB3 ARG A 75 46.920 9.740 20.165 1.00 0.00 H new ATOM 0 HG2 ARG A 75 47.377 12.198 20.319 1.00 0.00 H new ATOM 0 HG3 ARG A 75 45.784 12.542 19.677 1.00 0.00 H new ATOM 0 HD2 ARG A 75 45.450 10.680 21.861 1.00 0.00 H new ATOM 0 HD3 ARG A 75 46.518 11.954 22.417 1.00 0.00 H new ATOM 0 HE ARG A 75 44.622 13.545 21.349 1.00 0.00 H new ATOM 0 HH11 ARG A 75 43.434 10.448 21.606 1.00 0.00 H new ATOM 0 HH12 ARG A 75 42.202 10.799 22.823 1.00 0.00 H new ATOM 0 HH21 ARG A 75 43.433 13.999 23.505 1.00 0.00 H new ATOM 0 HH22 ARG A 75 42.202 12.791 23.889 1.00 0.00 H new ATOM 1199 N LYS A 76 48.856 11.747 17.350 1.00 0.00 N ATOM 1200 CA LYS A 76 50.298 12.123 17.369 1.00 0.00 C ATOM 1201 C LYS A 76 50.440 13.617 17.073 1.00 0.00 C ATOM 1202 O LYS A 76 51.515 14.102 16.780 1.00 0.00 O ATOM 1203 CB LYS A 76 51.050 11.319 16.306 1.00 0.00 C ATOM 1204 CG LYS A 76 51.274 9.891 16.808 1.00 0.00 C ATOM 1205 CD LYS A 76 51.322 8.933 15.617 1.00 0.00 C ATOM 1206 CE LYS A 76 52.736 8.914 15.033 1.00 0.00 C ATOM 1207 NZ LYS A 76 53.620 8.081 15.897 1.00 0.00 N ATOM 0 H LYS A 76 48.304 12.178 16.608 1.00 0.00 H new ATOM 0 HA LYS A 76 50.716 11.906 18.352 1.00 0.00 H new ATOM 0 HB2 LYS A 76 50.481 11.304 15.376 1.00 0.00 H new ATOM 0 HB3 LYS A 76 52.007 11.793 16.086 1.00 0.00 H new ATOM 0 HG2 LYS A 76 52.205 9.834 17.372 1.00 0.00 H new ATOM 0 HG3 LYS A 76 50.472 9.603 17.488 1.00 0.00 H new ATOM 0 HD2 LYS A 76 51.034 7.930 15.932 1.00 0.00 H new ATOM 0 HD3 LYS A 76 50.607 9.246 14.856 1.00 0.00 H new ATOM 0 HE2 LYS A 76 52.717 8.512 14.020 1.00 0.00 H new ATOM 0 HE3 LYS A 76 53.127 9.929 14.966 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 54.481 7.828 15.371 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 53.879 8.618 16.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 53.117 7.214 16.175 1.00 0.00 H new ATOM 1221 N ASN A 77 49.364 14.351 17.147 1.00 0.00 N ATOM 1222 CA ASN A 77 49.439 15.813 16.869 1.00 0.00 C ATOM 1223 C ASN A 77 49.653 16.037 15.370 1.00 0.00 C ATOM 1224 O ASN A 77 50.242 17.047 15.021 1.00 0.00 O ATOM 1225 CB ASN A 77 50.608 16.421 17.648 1.00 0.00 C ATOM 1226 CG ASN A 77 50.206 17.796 18.184 1.00 0.00 C ATOM 1227 OD1 ASN A 77 49.137 18.289 17.882 1.00 0.00 O ATOM 1228 ND2 ASN A 77 51.022 18.439 18.972 1.00 0.00 N ATOM 1229 OXT ASN A 77 49.225 15.195 14.599 1.00 0.00 O ATOM 0 H ASN A 77 48.436 14.002 17.388 1.00 0.00 H new ATOM 0 HA ASN A 77 48.509 16.290 17.178 1.00 0.00 H new ATOM 0 HB2 ASN A 77 50.889 15.766 18.473 1.00 0.00 H new ATOM 0 HB3 ASN A 77 51.481 16.512 17.002 1.00 0.00 H new ATOM 0 HD21 ASN A 77 50.763 19.356 19.335 1.00 0.00 H new ATOM 0 HD22 ASN A 77 51.919 18.025 19.225 1.00 0.00 H new TER 1236 ASN A 77