USER MOD reduce.3.24.130724 H: found=0, std=0, add=423, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 426 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 NoAdj-H: A 18 HIS HD1 : A 18 HIS ND1 : A 60 ZNZN :(H bumps) USER MOD Set 1.1: A 54 THR OG1 : rot -170:sc= 0 USER MOD Set 1.2: A 57 ASN : amide:sc= -2.02 K(o=-2,f=-3.1!) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 THR OG1 : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot 180:sc= -1.35 USER MOD Single : A 17 ASN : amide:sc= -0.495 X(o=-0.5,f=0) USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 2 17.510 -3.873 -1.918 1.00 0.00 N ATOM 2 CA ALA A 2 18.438 -2.750 -2.215 1.00 0.00 C ATOM 3 C ALA A 2 17.940 -1.926 -3.395 1.00 0.00 C ATOM 4 O ALA A 2 18.425 -2.072 -4.517 1.00 0.00 O ATOM 5 CB ALA A 2 19.836 -3.281 -2.494 1.00 0.00 C ATOM 0 HA ALA A 2 18.475 -2.100 -1.340 1.00 0.00 H new ATOM 0 HB1 ALA A 2 20.505 -2.448 -2.710 1.00 0.00 H new ATOM 0 HB2 ALA A 2 20.200 -3.822 -1.621 1.00 0.00 H new ATOM 0 HB3 ALA A 2 19.805 -3.953 -3.351 1.00 0.00 H new ATOM 13 N SER A 3 16.968 -1.057 -3.135 1.00 0.00 N ATOM 14 CA SER A 3 16.403 -0.206 -4.177 1.00 0.00 C ATOM 15 C SER A 3 16.364 1.250 -3.728 1.00 0.00 C ATOM 16 O SER A 3 16.219 1.541 -2.540 1.00 0.00 O ATOM 17 CB SER A 3 14.994 -0.678 -4.542 1.00 0.00 C ATOM 18 OG SER A 3 15.024 -1.570 -5.644 1.00 0.00 O ATOM 0 H SER A 3 16.555 -0.924 -2.212 1.00 0.00 H new ATOM 0 HA SER A 3 17.042 -0.279 -5.057 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.538 -1.171 -3.683 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.370 0.182 -4.783 1.00 0.00 H new ATOM 0 HG SER A 3 14.112 -1.858 -5.856 1.00 0.00 H new ATOM 24 N THR A 4 16.495 2.164 -4.685 1.00 0.00 N ATOM 25 CA THR A 4 16.475 3.591 -4.387 1.00 0.00 C ATOM 26 C THR A 4 15.109 4.193 -4.698 1.00 0.00 C ATOM 27 O THR A 4 14.398 4.643 -3.800 1.00 0.00 O ATOM 28 CB THR A 4 17.559 4.315 -5.187 1.00 0.00 C ATOM 29 OG1 THR A 4 18.705 3.497 -5.333 1.00 0.00 O ATOM 30 CG2 THR A 4 18.001 5.617 -4.554 1.00 0.00 C ATOM 0 H THR A 4 16.616 1.941 -5.673 1.00 0.00 H new ATOM 0 HA THR A 4 16.673 3.717 -3.323 1.00 0.00 H new ATOM 0 HB THR A 4 17.106 4.535 -6.154 1.00 0.00 H new ATOM 0 HG1 THR A 4 19.386 3.977 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 4 18.771 6.079 -5.172 1.00 0.00 H new ATOM 0 HG22 THR A 4 17.148 6.290 -4.473 1.00 0.00 H new ATOM 0 HG23 THR A 4 18.403 5.420 -3.560 1.00 0.00 H new ATOM 38 N SER A 5 14.748 4.200 -5.978 1.00 0.00 N ATOM 39 CA SER A 5 13.467 4.748 -6.407 1.00 0.00 C ATOM 40 C SER A 5 12.331 3.771 -6.118 1.00 0.00 C ATOM 41 O SER A 5 12.520 2.773 -5.423 1.00 0.00 O ATOM 42 CB SER A 5 13.505 5.076 -7.901 1.00 0.00 C ATOM 43 OG SER A 5 14.696 5.760 -8.244 1.00 0.00 O ATOM 0 H SER A 5 15.325 3.833 -6.735 1.00 0.00 H new ATOM 0 HA SER A 5 13.285 5.664 -5.844 1.00 0.00 H new ATOM 0 HB2 SER A 5 13.431 4.156 -8.480 1.00 0.00 H new ATOM 0 HB3 SER A 5 12.642 5.688 -8.164 1.00 0.00 H new ATOM 0 HG SER A 5 14.696 5.956 -9.204 1.00 0.00 H new ATOM 49 N ARG A 6 11.152 4.067 -6.654 1.00 0.00 N ATOM 50 CA ARG A 6 9.985 3.215 -6.453 1.00 0.00 C ATOM 51 C ARG A 6 9.809 2.250 -7.622 1.00 0.00 C ATOM 52 O ARG A 6 9.749 2.665 -8.779 1.00 0.00 O ATOM 53 CB ARG A 6 8.727 4.070 -6.287 1.00 0.00 C ATOM 54 CG ARG A 6 8.314 4.268 -4.837 1.00 0.00 C ATOM 55 CD ARG A 6 7.251 3.266 -4.417 1.00 0.00 C ATOM 56 NE ARG A 6 7.585 2.610 -3.155 1.00 0.00 N ATOM 57 CZ ARG A 6 7.034 1.470 -2.742 1.00 0.00 C ATOM 58 NH1 ARG A 6 6.121 0.859 -3.487 1.00 0.00 N ATOM 59 NH2 ARG A 6 7.396 0.942 -1.582 1.00 0.00 N ATOM 0 H ARG A 6 10.979 4.890 -7.231 1.00 0.00 H new ATOM 0 HA ARG A 6 10.142 2.632 -5.545 1.00 0.00 H new ATOM 0 HB2 ARG A 6 8.897 5.045 -6.744 1.00 0.00 H new ATOM 0 HB3 ARG A 6 7.905 3.602 -6.830 1.00 0.00 H new ATOM 0 HG2 ARG A 6 9.187 4.165 -4.192 1.00 0.00 H new ATOM 0 HG3 ARG A 6 7.934 5.281 -4.701 1.00 0.00 H new ATOM 0 HD2 ARG A 6 6.292 3.775 -4.318 1.00 0.00 H new ATOM 0 HD3 ARG A 6 7.134 2.513 -5.197 1.00 0.00 H new ATOM 0 HE ARG A 6 8.282 3.051 -2.555 1.00 0.00 H new ATOM 0 HH11 ARG A 6 5.838 1.262 -4.380 1.00 0.00 H new ATOM 0 HH12 ARG A 6 5.702 -0.014 -3.166 1.00 0.00 H new ATOM 0 HH21 ARG A 6 8.096 1.409 -1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 6 6.974 0.069 -1.265 1.00 0.00 H new ATOM 73 N LEU A 7 9.727 0.960 -7.310 1.00 0.00 N ATOM 74 CA LEU A 7 9.557 -0.065 -8.333 1.00 0.00 C ATOM 75 C LEU A 7 8.201 -0.752 -8.193 1.00 0.00 C ATOM 76 O LEU A 7 8.124 -1.949 -7.917 1.00 0.00 O ATOM 77 CB LEU A 7 10.680 -1.101 -8.241 1.00 0.00 C ATOM 78 CG LEU A 7 12.100 -0.528 -8.259 1.00 0.00 C ATOM 79 CD1 LEU A 7 12.277 0.435 -9.422 1.00 0.00 C ATOM 80 CD2 LEU A 7 12.413 0.163 -6.940 1.00 0.00 C ATOM 0 H LEU A 7 9.776 0.600 -6.357 1.00 0.00 H new ATOM 0 HA LEU A 7 9.600 0.420 -9.308 1.00 0.00 H new ATOM 0 HB2 LEU A 7 10.549 -1.675 -7.324 1.00 0.00 H new ATOM 0 HB3 LEU A 7 10.577 -1.800 -9.071 1.00 0.00 H new ATOM 0 HG LEU A 7 12.800 -1.353 -8.390 1.00 0.00 H new ATOM 0 HD11 LEU A 7 13.293 0.830 -9.416 1.00 0.00 H new ATOM 0 HD12 LEU A 7 12.098 -0.090 -10.360 1.00 0.00 H new ATOM 0 HD13 LEU A 7 11.567 1.257 -9.325 1.00 0.00 H new ATOM 0 HD21 LEU A 7 13.426 0.564 -6.971 1.00 0.00 H new ATOM 0 HD22 LEU A 7 11.705 0.976 -6.778 1.00 0.00 H new ATOM 0 HD23 LEU A 7 12.332 -0.556 -6.125 1.00 0.00 H new ATOM 92 N ASP A 8 7.132 0.016 -8.384 1.00 0.00 N ATOM 93 CA ASP A 8 5.780 -0.518 -8.278 1.00 0.00 C ATOM 94 C ASP A 8 4.797 0.325 -9.084 1.00 0.00 C ATOM 95 O ASP A 8 4.745 1.547 -8.938 1.00 0.00 O ATOM 96 CB ASP A 8 5.345 -0.572 -6.811 1.00 0.00 C ATOM 97 CG ASP A 8 5.190 -1.994 -6.306 1.00 0.00 C ATOM 98 OD1 ASP A 8 4.320 -2.719 -6.833 1.00 0.00 O ATOM 99 OD2 ASP A 8 5.938 -2.381 -5.385 1.00 0.00 O ATOM 0 H ASP A 8 7.177 1.009 -8.613 1.00 0.00 H new ATOM 0 HA ASP A 8 5.781 -1.529 -8.686 1.00 0.00 H new ATOM 0 HB2 ASP A 8 6.079 -0.049 -6.198 1.00 0.00 H new ATOM 0 HB3 ASP A 8 4.399 -0.043 -6.696 1.00 0.00 H new ATOM 104 N ALA A 9 4.019 -0.335 -9.936 1.00 0.00 N ATOM 105 CA ALA A 9 3.037 0.354 -10.765 1.00 0.00 C ATOM 106 C ALA A 9 1.771 -0.480 -10.924 1.00 0.00 C ATOM 107 O ALA A 9 1.821 -1.710 -10.920 1.00 0.00 O ATOM 108 CB ALA A 9 3.632 0.677 -12.128 1.00 0.00 C ATOM 0 H ALA A 9 4.050 -1.346 -10.070 1.00 0.00 H new ATOM 0 HA ALA A 9 2.767 1.285 -10.267 1.00 0.00 H new ATOM 0 HB1 ALA A 9 2.888 1.191 -12.737 1.00 0.00 H new ATOM 0 HB2 ALA A 9 4.504 1.319 -12.002 1.00 0.00 H new ATOM 0 HB3 ALA A 9 3.930 -0.247 -12.623 1.00 0.00 H new ATOM 114 N LEU A 10 0.636 0.198 -11.064 1.00 0.00 N ATOM 115 CA LEU A 10 -0.645 -0.480 -11.225 1.00 0.00 C ATOM 116 C LEU A 10 -0.971 -1.329 -9.998 1.00 0.00 C ATOM 117 O LEU A 10 -0.071 -1.821 -9.317 1.00 0.00 O ATOM 118 CB LEU A 10 -0.630 -1.357 -12.479 1.00 0.00 C ATOM 119 CG LEU A 10 -1.108 -0.664 -13.759 1.00 0.00 C ATOM 120 CD1 LEU A 10 -0.073 -0.802 -14.864 1.00 0.00 C ATOM 121 CD2 LEU A 10 -2.445 -1.235 -14.208 1.00 0.00 C ATOM 0 H LEU A 10 0.578 1.216 -11.069 1.00 0.00 H new ATOM 0 HA LEU A 10 -1.418 0.281 -11.333 1.00 0.00 H new ATOM 0 HB2 LEU A 10 0.385 -1.720 -12.638 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -1.257 -2.231 -12.301 1.00 0.00 H new ATOM 0 HG LEU A 10 -1.240 0.396 -13.544 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.433 -0.303 -15.764 1.00 0.00 H new ATOM 0 HD12 LEU A 10 0.863 -0.344 -14.545 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.093 -1.858 -15.077 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -2.769 -0.731 -15.118 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -2.338 -2.302 -14.403 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -3.187 -1.082 -13.425 1.00 0.00 H new ATOM 133 N PRO A 11 -2.268 -1.511 -9.699 1.00 0.00 N ATOM 134 CA PRO A 11 -2.710 -2.304 -8.548 1.00 0.00 C ATOM 135 C PRO A 11 -2.495 -3.800 -8.754 1.00 0.00 C ATOM 136 O PRO A 11 -3.106 -4.409 -9.632 1.00 0.00 O ATOM 137 CB PRO A 11 -4.203 -1.988 -8.453 1.00 0.00 C ATOM 138 CG PRO A 11 -4.601 -1.633 -9.844 1.00 0.00 C ATOM 139 CD PRO A 11 -3.406 -0.957 -10.459 1.00 0.00 C ATOM 0 HA PRO A 11 -2.149 -2.059 -7.646 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -4.767 -2.845 -8.086 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.391 -1.164 -7.764 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -4.879 -2.523 -10.409 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.467 -0.971 -9.845 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -3.323 -1.178 -11.523 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -3.464 0.127 -10.362 1.00 0.00 H new ATOM 147 N ARG A 12 -1.626 -4.386 -7.937 1.00 0.00 N ATOM 148 CA ARG A 12 -1.332 -5.812 -8.027 1.00 0.00 C ATOM 149 C ARG A 12 -2.096 -6.587 -6.958 1.00 0.00 C ATOM 150 O ARG A 12 -1.513 -7.051 -5.977 1.00 0.00 O ATOM 151 CB ARG A 12 0.170 -6.055 -7.879 1.00 0.00 C ATOM 152 CG ARG A 12 1.008 -5.348 -8.932 1.00 0.00 C ATOM 153 CD ARG A 12 1.430 -6.299 -10.040 1.00 0.00 C ATOM 154 NE ARG A 12 1.539 -5.624 -11.331 1.00 0.00 N ATOM 155 CZ ARG A 12 0.496 -5.330 -12.104 1.00 0.00 C ATOM 156 NH1 ARG A 12 -0.734 -5.647 -11.720 1.00 0.00 N ATOM 157 NH2 ARG A 12 0.683 -4.716 -13.264 1.00 0.00 N ATOM 0 H ARG A 12 -1.113 -3.895 -7.205 1.00 0.00 H new ATOM 0 HA ARG A 12 -1.652 -6.166 -9.007 1.00 0.00 H new ATOM 0 HB2 ARG A 12 0.488 -5.723 -6.891 1.00 0.00 H new ATOM 0 HB3 ARG A 12 0.363 -7.126 -7.932 1.00 0.00 H new ATOM 0 HG2 ARG A 12 0.438 -4.522 -9.358 1.00 0.00 H new ATOM 0 HG3 ARG A 12 1.893 -4.917 -8.465 1.00 0.00 H new ATOM 0 HD2 ARG A 12 2.389 -6.750 -9.785 1.00 0.00 H new ATOM 0 HD3 ARG A 12 0.707 -7.111 -10.116 1.00 0.00 H new ATOM 0 HE ARG A 12 2.469 -5.363 -11.659 1.00 0.00 H new ATOM 0 HH11 ARG A 12 -0.884 -6.119 -10.828 1.00 0.00 H new ATOM 0 HH12 ARG A 12 -1.529 -5.419 -12.317 1.00 0.00 H new ATOM 0 HH21 ARG A 12 1.626 -4.469 -13.564 1.00 0.00 H new ATOM 0 HH22 ARG A 12 -0.116 -4.491 -13.856 1.00 0.00 H new ATOM 171 N VAL A 13 -3.403 -6.722 -7.153 1.00 0.00 N ATOM 172 CA VAL A 13 -4.248 -7.438 -6.206 1.00 0.00 C ATOM 173 C VAL A 13 -3.871 -8.914 -6.130 1.00 0.00 C ATOM 174 O VAL A 13 -3.647 -9.562 -7.153 1.00 0.00 O ATOM 175 CB VAL A 13 -5.738 -7.320 -6.582 1.00 0.00 C ATOM 176 CG1 VAL A 13 -6.615 -7.897 -5.481 1.00 0.00 C ATOM 177 CG2 VAL A 13 -6.104 -5.871 -6.861 1.00 0.00 C ATOM 0 H VAL A 13 -3.900 -6.344 -7.959 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.087 -6.977 -5.232 1.00 0.00 H new ATOM 0 HB VAL A 13 -5.911 -7.896 -7.491 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.663 -7.805 -5.765 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.370 -8.949 -5.335 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.441 -7.351 -4.554 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -7.160 -5.807 -7.125 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -5.915 -5.270 -5.971 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -5.500 -5.496 -7.687 1.00 0.00 H new ATOM 187 N THR A 14 -3.807 -9.439 -4.912 1.00 0.00 N ATOM 188 CA THR A 14 -3.461 -10.839 -4.696 1.00 0.00 C ATOM 189 C THR A 14 -2.085 -11.160 -5.271 1.00 0.00 C ATOM 190 O THR A 14 -1.373 -10.271 -5.739 1.00 0.00 O ATOM 191 CB THR A 14 -4.516 -11.750 -5.329 1.00 0.00 C ATOM 192 OG1 THR A 14 -5.729 -11.048 -5.533 1.00 0.00 O ATOM 193 CG2 THR A 14 -4.829 -12.972 -4.493 1.00 0.00 C ATOM 0 H THR A 14 -3.991 -8.915 -4.057 1.00 0.00 H new ATOM 0 HA THR A 14 -3.433 -11.016 -3.621 1.00 0.00 H new ATOM 0 HB THR A 14 -4.085 -12.076 -6.276 1.00 0.00 H new ATOM 0 HG1 THR A 14 -6.389 -11.647 -5.940 1.00 0.00 H new ATOM 0 HG21 THR A 14 -5.584 -13.575 -4.998 1.00 0.00 H new ATOM 0 HG22 THR A 14 -3.923 -13.563 -4.359 1.00 0.00 H new ATOM 0 HG23 THR A 14 -5.206 -12.660 -3.519 1.00 0.00 H new ATOM 201 N CYS A 15 -1.719 -12.436 -5.227 1.00 0.00 N ATOM 202 CA CYS A 15 -0.428 -12.883 -5.740 1.00 0.00 C ATOM 203 C CYS A 15 -0.568 -13.413 -7.168 1.00 0.00 C ATOM 204 O CYS A 15 -1.539 -14.099 -7.489 1.00 0.00 O ATOM 205 CB CYS A 15 0.146 -13.967 -4.827 1.00 0.00 C ATOM 206 SG CYS A 15 1.696 -14.699 -5.410 1.00 0.00 S ATOM 0 H CYS A 15 -2.299 -13.181 -4.841 1.00 0.00 H new ATOM 0 HA CYS A 15 0.254 -12.033 -5.757 1.00 0.00 H new ATOM 0 HB2 CYS A 15 0.310 -13.541 -3.837 1.00 0.00 H new ATOM 0 HB3 CYS A 15 -0.595 -14.759 -4.714 1.00 0.00 H new ATOM 211 N PRO A 16 0.401 -13.100 -8.048 1.00 0.00 N ATOM 212 CA PRO A 16 0.372 -13.549 -9.445 1.00 0.00 C ATOM 213 C PRO A 16 0.351 -15.068 -9.575 1.00 0.00 C ATOM 214 O PRO A 16 -0.293 -15.617 -10.469 1.00 0.00 O ATOM 215 CB PRO A 16 1.668 -12.985 -10.039 1.00 0.00 C ATOM 216 CG PRO A 16 2.068 -11.880 -9.124 1.00 0.00 C ATOM 217 CD PRO A 16 1.593 -12.285 -7.759 1.00 0.00 C ATOM 0 HA PRO A 16 -0.530 -13.207 -9.953 1.00 0.00 H new ATOM 0 HB2 PRO A 16 2.442 -13.751 -10.094 1.00 0.00 H new ATOM 0 HB3 PRO A 16 1.510 -12.619 -11.053 1.00 0.00 H new ATOM 0 HG2 PRO A 16 3.148 -11.735 -9.135 1.00 0.00 H new ATOM 0 HG3 PRO A 16 1.617 -10.936 -9.431 1.00 0.00 H new ATOM 0 HD2 PRO A 16 2.351 -12.855 -7.221 1.00 0.00 H new ATOM 0 HD3 PRO A 16 1.350 -11.419 -7.144 1.00 0.00 H new ATOM 225 N ASN A 17 1.069 -15.742 -8.685 1.00 0.00 N ATOM 226 CA ASN A 17 1.141 -17.200 -8.706 1.00 0.00 C ATOM 227 C ASN A 17 0.320 -17.827 -7.579 1.00 0.00 C ATOM 228 O ASN A 17 0.200 -19.050 -7.501 1.00 0.00 O ATOM 229 CB ASN A 17 2.597 -17.657 -8.601 1.00 0.00 C ATOM 230 CG ASN A 17 3.272 -17.753 -9.955 1.00 0.00 C ATOM 231 OD1 ASN A 17 3.905 -18.760 -10.275 1.00 0.00 O ATOM 232 ND2 ASN A 17 3.142 -16.705 -10.759 1.00 0.00 N ATOM 0 H ASN A 17 1.610 -15.304 -7.940 1.00 0.00 H new ATOM 0 HA ASN A 17 0.719 -17.535 -9.653 1.00 0.00 H new ATOM 0 HB2 ASN A 17 3.149 -16.959 -7.971 1.00 0.00 H new ATOM 0 HB3 ASN A 17 2.635 -18.629 -8.109 1.00 0.00 H new ATOM 0 HD21 ASN A 17 3.575 -16.714 -11.682 1.00 0.00 H new ATOM 0 HD22 ASN A 17 2.609 -15.891 -10.454 1.00 0.00 H new ATOM 239 N HIS A 18 -0.245 -16.996 -6.707 1.00 0.00 N ATOM 240 CA HIS A 18 -1.049 -17.493 -5.596 1.00 0.00 C ATOM 241 C HIS A 18 -2.370 -16.734 -5.492 1.00 0.00 C ATOM 242 O HIS A 18 -2.519 -15.841 -4.658 1.00 0.00 O ATOM 243 CB HIS A 18 -0.276 -17.377 -4.280 1.00 0.00 C ATOM 244 CG HIS A 18 0.910 -18.284 -4.198 1.00 0.00 C ATOM 245 ND1 HIS A 18 2.170 -17.797 -3.934 1.00 0.00 N ATOM 246 CD2 HIS A 18 0.971 -19.630 -4.337 1.00 0.00 C ATOM 247 CE1 HIS A 18 2.961 -18.858 -3.916 1.00 0.00 C ATOM 248 NE2 HIS A 18 2.278 -19.988 -4.157 1.00 0.00 N ATOM 0 H HIS A 18 -0.161 -15.980 -6.748 1.00 0.00 H new ATOM 0 HA HIS A 18 -1.269 -18.543 -5.787 1.00 0.00 H new ATOM 0 HB2 HIS A 18 0.056 -16.347 -4.154 1.00 0.00 H new ATOM 0 HB3 HIS A 18 -0.950 -17.599 -3.452 1.00 0.00 H new ATOM 0 HD2 HIS A 18 0.145 -20.293 -4.549 1.00 0.00 H new ATOM 0 HE1 HIS A 18 4.024 -18.819 -3.730 1.00 0.00 H new ATOM 0 HE2 HIS A 18 2.661 -20.933 -4.198 1.00 0.00 H new ATOM 256 N PRO A 19 -3.351 -17.083 -6.341 1.00 0.00 N ATOM 257 CA PRO A 19 -4.665 -16.432 -6.338 1.00 0.00 C ATOM 258 C PRO A 19 -5.458 -16.740 -5.072 1.00 0.00 C ATOM 259 O PRO A 19 -6.290 -15.943 -4.640 1.00 0.00 O ATOM 260 CB PRO A 19 -5.363 -17.028 -7.564 1.00 0.00 C ATOM 261 CG PRO A 19 -4.687 -18.336 -7.790 1.00 0.00 C ATOM 262 CD PRO A 19 -3.258 -18.140 -7.365 1.00 0.00 C ATOM 0 HA PRO A 19 -4.581 -15.346 -6.367 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -6.430 -17.160 -7.386 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -5.263 -16.376 -8.432 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -5.162 -19.127 -7.210 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -4.746 -18.630 -8.838 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -2.830 -19.057 -6.959 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -2.628 -17.836 -8.201 1.00 0.00 H new ATOM 270 N ASP A 20 -5.192 -17.901 -4.482 1.00 0.00 N ATOM 271 CA ASP A 20 -5.878 -18.314 -3.263 1.00 0.00 C ATOM 272 C ASP A 20 -5.424 -17.475 -2.074 1.00 0.00 C ATOM 273 O ASP A 20 -6.182 -16.660 -1.549 1.00 0.00 O ATOM 274 CB ASP A 20 -5.622 -19.797 -2.986 1.00 0.00 C ATOM 275 CG ASP A 20 -6.409 -20.702 -3.913 1.00 0.00 C ATOM 276 OD1 ASP A 20 -6.009 -20.839 -5.088 1.00 0.00 O ATOM 277 OD2 ASP A 20 -7.425 -21.274 -3.463 1.00 0.00 O ATOM 0 H ASP A 20 -4.506 -18.572 -4.828 1.00 0.00 H new ATOM 0 HA ASP A 20 -6.947 -18.159 -3.406 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -4.558 -20.006 -3.096 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -5.886 -20.022 -1.953 1.00 0.00 H new ATOM 282 N ALA A 21 -4.178 -17.680 -1.653 1.00 0.00 N ATOM 283 CA ALA A 21 -3.622 -16.941 -0.526 1.00 0.00 C ATOM 284 C ALA A 21 -3.248 -15.520 -0.935 1.00 0.00 C ATOM 285 O ALA A 21 -2.408 -15.317 -1.812 1.00 0.00 O ATOM 286 CB ALA A 21 -2.410 -17.667 0.034 1.00 0.00 C ATOM 0 H ALA A 21 -3.536 -18.351 -2.076 1.00 0.00 H new ATOM 0 HA ALA A 21 -4.385 -16.880 0.250 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -2.005 -17.104 0.875 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -2.705 -18.661 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -1.650 -17.758 -0.742 1.00 0.00 H new ATOM 292 N ILE A 22 -3.878 -14.540 -0.295 1.00 0.00 N ATOM 293 CA ILE A 22 -3.611 -13.140 -0.595 1.00 0.00 C ATOM 294 C ILE A 22 -2.489 -12.591 0.282 1.00 0.00 C ATOM 295 O ILE A 22 -2.304 -13.031 1.417 1.00 0.00 O ATOM 296 CB ILE A 22 -4.875 -12.274 -0.403 1.00 0.00 C ATOM 297 CG1 ILE A 22 -4.607 -10.833 -0.840 1.00 0.00 C ATOM 298 CG2 ILE A 22 -5.338 -12.319 1.046 1.00 0.00 C ATOM 299 CD1 ILE A 22 -5.860 -10.075 -1.221 1.00 0.00 C ATOM 0 H ILE A 22 -4.576 -14.690 0.434 1.00 0.00 H new ATOM 0 HA ILE A 22 -3.303 -13.093 -1.640 1.00 0.00 H new ATOM 0 HB ILE A 22 -5.670 -12.680 -1.028 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -4.104 -10.304 -0.031 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -3.924 -10.840 -1.689 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -6.230 -11.703 1.162 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -5.569 -13.348 1.322 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -4.547 -11.938 1.693 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -5.595 -9.061 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -6.353 -10.581 -2.051 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -6.536 -10.036 -0.367 1.00 0.00 H new ATOM 311 N LEU A 23 -1.745 -11.629 -0.252 1.00 0.00 N ATOM 312 CA LEU A 23 -0.641 -11.017 0.480 1.00 0.00 C ATOM 313 C LEU A 23 -1.132 -10.397 1.787 1.00 0.00 C ATOM 314 O LEU A 23 -2.144 -9.696 1.813 1.00 0.00 O ATOM 315 CB LEU A 23 0.034 -9.948 -0.380 1.00 0.00 C ATOM 316 CG LEU A 23 0.997 -10.483 -1.440 1.00 0.00 C ATOM 317 CD1 LEU A 23 0.312 -11.533 -2.302 1.00 0.00 C ATOM 318 CD2 LEU A 23 1.525 -9.347 -2.302 1.00 0.00 C ATOM 0 H LEU A 23 -1.886 -11.255 -1.191 1.00 0.00 H new ATOM 0 HA LEU A 23 0.083 -11.797 0.717 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.739 -9.361 -0.876 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.579 -9.268 0.274 1.00 0.00 H new ATOM 0 HG LEU A 23 1.841 -10.951 -0.933 1.00 0.00 H new ATOM 0 HD11 LEU A 23 1.013 -11.902 -3.051 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -0.018 -12.361 -1.674 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -0.550 -11.089 -2.800 1.00 0.00 H new ATOM 0 HD21 LEU A 23 2.209 -9.746 -3.051 1.00 0.00 H new ATOM 0 HD22 LEU A 23 0.692 -8.850 -2.799 1.00 0.00 H new ATOM 0 HD23 LEU A 23 2.053 -8.629 -1.674 1.00 0.00 H new ATOM 330 N VAL A 24 -0.406 -10.660 2.868 1.00 0.00 N ATOM 331 CA VAL A 24 -0.759 -10.132 4.179 1.00 0.00 C ATOM 332 C VAL A 24 0.315 -9.177 4.689 1.00 0.00 C ATOM 333 O VAL A 24 1.449 -9.192 4.210 1.00 0.00 O ATOM 334 CB VAL A 24 -0.947 -11.266 5.207 1.00 0.00 C ATOM 335 CG1 VAL A 24 -1.513 -10.722 6.510 1.00 0.00 C ATOM 336 CG2 VAL A 24 -1.843 -12.360 4.643 1.00 0.00 C ATOM 0 H VAL A 24 0.434 -11.238 2.861 1.00 0.00 H new ATOM 0 HA VAL A 24 -1.700 -9.594 4.064 1.00 0.00 H new ATOM 0 HB VAL A 24 0.030 -11.702 5.417 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -1.638 -11.538 7.221 1.00 0.00 H new ATOM 0 HG12 VAL A 24 -0.828 -9.982 6.923 1.00 0.00 H new ATOM 0 HG13 VAL A 24 -2.480 -10.255 6.320 1.00 0.00 H new ATOM 0 HG21 VAL A 24 -1.963 -13.150 5.384 1.00 0.00 H new ATOM 0 HG22 VAL A 24 -2.819 -11.941 4.399 1.00 0.00 H new ATOM 0 HG23 VAL A 24 -1.390 -12.773 3.742 1.00 0.00 H new ATOM 346 N GLU A 25 -0.046 -8.346 5.661 1.00 0.00 N ATOM 347 CA GLU A 25 0.892 -7.388 6.233 1.00 0.00 C ATOM 348 C GLU A 25 2.013 -8.106 6.981 1.00 0.00 C ATOM 349 O GLU A 25 1.764 -9.044 7.738 1.00 0.00 O ATOM 350 CB GLU A 25 0.162 -6.428 7.176 1.00 0.00 C ATOM 351 CG GLU A 25 0.445 -4.962 6.889 1.00 0.00 C ATOM 352 CD GLU A 25 -0.795 -4.096 6.995 1.00 0.00 C ATOM 353 OE1 GLU A 25 -1.539 -3.998 5.997 1.00 0.00 O ATOM 354 OE2 GLU A 25 -1.022 -3.516 8.078 1.00 0.00 O ATOM 0 H GLU A 25 -0.981 -8.317 6.069 1.00 0.00 H new ATOM 0 HA GLU A 25 1.334 -6.816 5.417 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -0.911 -6.604 7.101 1.00 0.00 H new ATOM 0 HB3 GLU A 25 0.451 -6.651 8.203 1.00 0.00 H new ATOM 0 HG2 GLU A 25 1.198 -4.598 7.588 1.00 0.00 H new ATOM 0 HG3 GLU A 25 0.866 -4.866 5.888 1.00 0.00 H new ATOM 361 N ASP A 26 3.246 -7.661 6.762 1.00 0.00 N ATOM 362 CA ASP A 26 4.403 -8.264 7.415 1.00 0.00 C ATOM 363 C ASP A 26 4.409 -7.957 8.909 1.00 0.00 C ATOM 364 O ASP A 26 4.632 -8.844 9.733 1.00 0.00 O ATOM 365 CB ASP A 26 5.698 -7.760 6.772 1.00 0.00 C ATOM 366 CG ASP A 26 5.907 -6.272 6.974 1.00 0.00 C ATOM 367 OD1 ASP A 26 4.907 -5.524 6.959 1.00 0.00 O ATOM 368 OD2 ASP A 26 7.071 -5.854 7.148 1.00 0.00 O ATOM 0 H ASP A 26 3.470 -6.886 6.138 1.00 0.00 H new ATOM 0 HA ASP A 26 4.338 -9.344 7.287 1.00 0.00 H new ATOM 0 HB2 ASP A 26 6.544 -8.303 7.194 1.00 0.00 H new ATOM 0 HB3 ASP A 26 5.679 -7.979 5.704 1.00 0.00 H new ATOM 373 N TYR A 27 4.165 -6.697 9.251 1.00 0.00 N ATOM 374 CA TYR A 27 4.145 -6.273 10.646 1.00 0.00 C ATOM 375 C TYR A 27 3.472 -4.912 10.791 1.00 0.00 C ATOM 376 O TYR A 27 3.830 -4.122 11.664 1.00 0.00 O ATOM 377 CB TYR A 27 5.570 -6.213 11.201 1.00 0.00 C ATOM 378 CG TYR A 27 5.700 -6.771 12.600 1.00 0.00 C ATOM 379 CD1 TYR A 27 5.438 -5.979 13.711 1.00 0.00 C ATOM 380 CD2 TYR A 27 6.085 -8.089 12.812 1.00 0.00 C ATOM 381 CE1 TYR A 27 5.557 -6.483 14.992 1.00 0.00 C ATOM 382 CE2 TYR A 27 6.205 -8.602 14.089 1.00 0.00 C ATOM 383 CZ TYR A 27 5.941 -7.795 15.175 1.00 0.00 C ATOM 384 OH TYR A 27 6.060 -8.302 16.449 1.00 0.00 O ATOM 0 H TYR A 27 3.978 -5.951 8.581 1.00 0.00 H new ATOM 0 HA TYR A 27 3.571 -7.004 11.215 1.00 0.00 H new ATOM 0 HB2 TYR A 27 6.233 -6.766 10.536 1.00 0.00 H new ATOM 0 HB3 TYR A 27 5.908 -5.177 11.200 1.00 0.00 H new ATOM 0 HD1 TYR A 27 5.136 -4.952 13.571 1.00 0.00 H new ATOM 0 HD2 TYR A 27 6.294 -8.724 11.964 1.00 0.00 H new ATOM 0 HE1 TYR A 27 5.351 -5.853 15.845 1.00 0.00 H new ATOM 0 HE2 TYR A 27 6.504 -9.629 14.236 1.00 0.00 H new ATOM 0 HH TYR A 27 6.338 -9.241 16.403 1.00 0.00 H new ATOM 394 N ARG A 28 2.495 -4.646 9.928 1.00 0.00 N ATOM 395 CA ARG A 28 1.771 -3.379 9.960 1.00 0.00 C ATOM 396 C ARG A 28 2.704 -2.204 9.700 1.00 0.00 C ATOM 397 O ARG A 28 2.400 -1.062 10.044 1.00 0.00 O ATOM 398 CB ARG A 28 1.084 -3.203 11.308 1.00 0.00 C ATOM 399 CG ARG A 28 -0.356 -2.728 11.206 1.00 0.00 C ATOM 400 CD ARG A 28 -0.455 -1.214 11.311 1.00 0.00 C ATOM 401 NE ARG A 28 -1.525 -0.798 12.214 1.00 0.00 N ATOM 402 CZ ARG A 28 -1.617 0.422 12.741 1.00 0.00 C ATOM 403 NH1 ARG A 28 -0.706 1.345 12.459 1.00 0.00 N ATOM 404 NH2 ARG A 28 -2.623 0.717 13.553 1.00 0.00 N ATOM 0 H ARG A 28 2.187 -5.290 9.199 1.00 0.00 H new ATOM 0 HA ARG A 28 1.020 -3.401 9.170 1.00 0.00 H new ATOM 0 HB2 ARG A 28 1.106 -4.152 11.843 1.00 0.00 H new ATOM 0 HB3 ARG A 28 1.651 -2.488 11.904 1.00 0.00 H new ATOM 0 HG2 ARG A 28 -0.782 -3.056 10.258 1.00 0.00 H new ATOM 0 HG3 ARG A 28 -0.948 -3.188 11.997 1.00 0.00 H new ATOM 0 HD2 ARG A 28 0.495 -0.812 11.664 1.00 0.00 H new ATOM 0 HD3 ARG A 28 -0.631 -0.792 10.321 1.00 0.00 H new ATOM 0 HE ARG A 28 -2.243 -1.481 12.455 1.00 0.00 H new ATOM 0 HH11 ARG A 28 0.070 1.122 11.836 1.00 0.00 H new ATOM 0 HH12 ARG A 28 -0.782 2.277 12.866 1.00 0.00 H new ATOM 0 HH21 ARG A 28 -3.325 0.010 13.773 1.00 0.00 H new ATOM 0 HH22 ARG A 28 -2.695 1.651 13.957 1.00 0.00 H new ATOM 418 N ALA A 29 3.835 -2.502 9.093 1.00 0.00 N ATOM 419 CA ALA A 29 4.832 -1.487 8.777 1.00 0.00 C ATOM 420 C ALA A 29 4.592 -0.893 7.394 1.00 0.00 C ATOM 421 O ALA A 29 4.789 0.303 7.179 1.00 0.00 O ATOM 422 CB ALA A 29 6.231 -2.077 8.865 1.00 0.00 C ATOM 0 H ALA A 29 4.092 -3.446 8.805 1.00 0.00 H new ATOM 0 HA ALA A 29 4.741 -0.684 9.508 1.00 0.00 H new ATOM 0 HB1 ALA A 29 6.966 -1.308 8.627 1.00 0.00 H new ATOM 0 HB2 ALA A 29 6.407 -2.446 9.875 1.00 0.00 H new ATOM 0 HB3 ALA A 29 6.324 -2.900 8.156 1.00 0.00 H new ATOM 428 N GLY A 30 4.166 -1.736 6.461 1.00 0.00 N ATOM 429 CA GLY A 30 3.906 -1.278 5.109 1.00 0.00 C ATOM 430 C GLY A 30 4.458 -2.220 4.058 1.00 0.00 C ATOM 431 O GLY A 30 5.101 -1.786 3.102 1.00 0.00 O ATOM 0 H GLY A 30 3.996 -2.730 6.617 1.00 0.00 H new ATOM 0 HA2 GLY A 30 2.831 -1.170 4.966 1.00 0.00 H new ATOM 0 HA3 GLY A 30 4.346 -0.290 4.973 1.00 0.00 H new ATOM 435 N ASP A 31 4.207 -3.513 4.233 1.00 0.00 N ATOM 436 CA ASP A 31 4.683 -4.520 3.291 1.00 0.00 C ATOM 437 C ASP A 31 3.706 -5.689 3.207 1.00 0.00 C ATOM 438 O ASP A 31 3.389 -6.319 4.214 1.00 0.00 O ATOM 439 CB ASP A 31 6.067 -5.024 3.701 1.00 0.00 C ATOM 440 CG ASP A 31 7.016 -3.893 4.049 1.00 0.00 C ATOM 441 OD1 ASP A 31 7.039 -3.477 5.226 1.00 0.00 O ATOM 442 OD2 ASP A 31 7.737 -3.424 3.144 1.00 0.00 O ATOM 0 H ASP A 31 3.676 -3.889 5.019 1.00 0.00 H new ATOM 0 HA ASP A 31 4.753 -4.056 2.307 1.00 0.00 H new ATOM 0 HB2 ASP A 31 5.969 -5.689 4.559 1.00 0.00 H new ATOM 0 HB3 ASP A 31 6.491 -5.613 2.888 1.00 0.00 H new ATOM 447 N MET A 32 3.231 -5.971 1.998 1.00 0.00 N ATOM 448 CA MET A 32 2.289 -7.062 1.781 1.00 0.00 C ATOM 449 C MET A 32 3.011 -8.324 1.313 1.00 0.00 C ATOM 450 O MET A 32 3.186 -8.543 0.114 1.00 0.00 O ATOM 451 CB MET A 32 1.234 -6.649 0.752 1.00 0.00 C ATOM 452 CG MET A 32 -0.138 -6.398 1.356 1.00 0.00 C ATOM 453 SD MET A 32 -1.432 -6.262 0.107 1.00 0.00 S ATOM 454 CE MET A 32 -2.637 -5.263 0.975 1.00 0.00 C ATOM 0 H MET A 32 3.484 -5.458 1.153 1.00 0.00 H new ATOM 0 HA MET A 32 1.798 -7.281 2.729 1.00 0.00 H new ATOM 0 HB2 MET A 32 1.569 -5.745 0.243 1.00 0.00 H new ATOM 0 HB3 MET A 32 1.152 -7.429 -0.005 1.00 0.00 H new ATOM 0 HG2 MET A 32 -0.383 -7.210 2.041 1.00 0.00 H new ATOM 0 HG3 MET A 32 -0.109 -5.481 1.945 1.00 0.00 H new ATOM 0 HE1 MET A 32 -3.499 -5.092 0.331 1.00 0.00 H new ATOM 0 HE2 MET A 32 -2.957 -5.782 1.879 1.00 0.00 H new ATOM 0 HE3 MET A 32 -2.190 -4.306 1.245 1.00 0.00 H new ATOM 464 N ILE A 33 3.428 -9.150 2.268 1.00 0.00 N ATOM 465 CA ILE A 33 4.128 -10.384 1.960 1.00 0.00 C ATOM 466 C ILE A 33 3.149 -11.507 1.644 1.00 0.00 C ATOM 467 O ILE A 33 2.013 -11.494 2.110 1.00 0.00 O ATOM 468 CB ILE A 33 5.020 -10.812 3.136 1.00 0.00 C ATOM 469 CG1 ILE A 33 4.181 -10.998 4.404 1.00 0.00 C ATOM 470 CG2 ILE A 33 6.123 -9.792 3.367 1.00 0.00 C ATOM 471 CD1 ILE A 33 4.002 -12.447 4.800 1.00 0.00 C ATOM 0 H ILE A 33 3.290 -8.982 3.265 1.00 0.00 H new ATOM 0 HA ILE A 33 4.748 -10.195 1.084 1.00 0.00 H new ATOM 0 HB ILE A 33 5.484 -11.767 2.889 1.00 0.00 H new ATOM 0 HG12 ILE A 33 4.654 -10.461 5.226 1.00 0.00 H new ATOM 0 HG13 ILE A 33 3.200 -10.547 4.251 1.00 0.00 H new ATOM 0 HG21 ILE A 33 6.745 -10.111 4.203 1.00 0.00 H new ATOM 0 HG22 ILE A 33 6.736 -9.710 2.470 1.00 0.00 H new ATOM 0 HG23 ILE A 33 5.680 -8.822 3.594 1.00 0.00 H new ATOM 0 HD11 ILE A 33 3.398 -12.505 5.706 1.00 0.00 H new ATOM 0 HD12 ILE A 33 3.501 -12.985 3.995 1.00 0.00 H new ATOM 0 HD13 ILE A 33 4.977 -12.897 4.985 1.00 0.00 H new ATOM 483 N CYS A 34 3.586 -12.481 0.852 1.00 0.00 N ATOM 484 CA CYS A 34 2.722 -13.601 0.491 1.00 0.00 C ATOM 485 C CYS A 34 2.942 -14.786 1.430 1.00 0.00 C ATOM 486 O CYS A 34 4.079 -15.145 1.729 1.00 0.00 O ATOM 487 CB CYS A 34 2.987 -14.018 -0.952 1.00 0.00 C ATOM 488 SG CYS A 34 1.796 -15.197 -1.631 1.00 0.00 S ATOM 0 H CYS A 34 4.523 -12.519 0.451 1.00 0.00 H new ATOM 0 HA CYS A 34 1.685 -13.280 0.587 1.00 0.00 H new ATOM 0 HB2 CYS A 34 2.991 -13.126 -1.578 1.00 0.00 H new ATOM 0 HB3 CYS A 34 3.984 -14.455 -1.012 1.00 0.00 H new ATOM 493 N PRO A 35 1.853 -15.411 1.912 1.00 0.00 N ATOM 494 CA PRO A 35 1.944 -16.558 2.821 1.00 0.00 C ATOM 495 C PRO A 35 2.374 -17.840 2.111 1.00 0.00 C ATOM 496 O PRO A 35 2.550 -18.879 2.747 1.00 0.00 O ATOM 497 CB PRO A 35 0.518 -16.695 3.352 1.00 0.00 C ATOM 498 CG PRO A 35 -0.340 -16.156 2.262 1.00 0.00 C ATOM 499 CD PRO A 35 0.452 -15.052 1.614 1.00 0.00 C ATOM 0 HA PRO A 35 2.695 -16.404 3.596 1.00 0.00 H new ATOM 0 HB2 PRO A 35 0.274 -17.735 3.571 1.00 0.00 H new ATOM 0 HB3 PRO A 35 0.383 -16.134 4.277 1.00 0.00 H new ATOM 0 HG2 PRO A 35 -0.587 -16.934 1.540 1.00 0.00 H new ATOM 0 HG3 PRO A 35 -1.282 -15.778 2.659 1.00 0.00 H new ATOM 0 HD2 PRO A 35 0.270 -15.004 0.540 1.00 0.00 H new ATOM 0 HD3 PRO A 35 0.192 -14.077 2.025 1.00 0.00 H new ATOM 507 N GLU A 36 2.538 -17.768 0.791 1.00 0.00 N ATOM 508 CA GLU A 36 2.942 -18.929 0.009 1.00 0.00 C ATOM 509 C GLU A 36 4.366 -18.772 -0.522 1.00 0.00 C ATOM 510 O GLU A 36 5.303 -19.355 0.024 1.00 0.00 O ATOM 511 CB GLU A 36 1.967 -19.151 -1.147 1.00 0.00 C ATOM 512 CG GLU A 36 0.569 -19.544 -0.698 1.00 0.00 C ATOM 513 CD GLU A 36 0.371 -21.046 -0.646 1.00 0.00 C ATOM 514 OE1 GLU A 36 1.016 -21.757 -1.446 1.00 0.00 O ATOM 515 OE2 GLU A 36 -0.428 -21.511 0.193 1.00 0.00 O ATOM 0 H GLU A 36 2.397 -16.919 0.244 1.00 0.00 H new ATOM 0 HA GLU A 36 2.923 -19.800 0.664 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.906 -18.238 -1.740 1.00 0.00 H new ATOM 0 HB3 GLU A 36 2.362 -19.929 -1.800 1.00 0.00 H new ATOM 0 HG2 GLU A 36 0.377 -19.122 0.288 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -0.162 -19.109 -1.379 1.00 0.00 H new ATOM 522 N CYS A 37 4.531 -17.985 -1.585 1.00 0.00 N ATOM 523 CA CYS A 37 5.856 -17.771 -2.165 1.00 0.00 C ATOM 524 C CYS A 37 6.740 -16.960 -1.224 1.00 0.00 C ATOM 525 O CYS A 37 7.966 -16.997 -1.326 1.00 0.00 O ATOM 526 CB CYS A 37 5.771 -17.064 -3.524 1.00 0.00 C ATOM 527 SG CYS A 37 4.903 -15.482 -3.505 1.00 0.00 S ATOM 0 H CYS A 37 3.774 -17.491 -2.057 1.00 0.00 H new ATOM 0 HA CYS A 37 6.300 -18.755 -2.314 1.00 0.00 H new ATOM 0 HB2 CYS A 37 6.782 -16.902 -3.897 1.00 0.00 H new ATOM 0 HB3 CYS A 37 5.273 -17.727 -4.231 1.00 0.00 H new ATOM 532 N GLY A 38 6.114 -16.222 -0.313 1.00 0.00 N ATOM 533 CA GLY A 38 6.868 -15.412 0.621 1.00 0.00 C ATOM 534 C GLY A 38 7.473 -14.193 -0.043 1.00 0.00 C ATOM 535 O GLY A 38 8.683 -13.977 0.025 1.00 0.00 O ATOM 0 H GLY A 38 5.101 -16.171 -0.206 1.00 0.00 H new ATOM 0 HA2 GLY A 38 6.215 -15.095 1.435 1.00 0.00 H new ATOM 0 HA3 GLY A 38 7.661 -16.014 1.065 1.00 0.00 H new ATOM 539 N LEU A 39 6.631 -13.391 -0.687 1.00 0.00 N ATOM 540 CA LEU A 39 7.097 -12.188 -1.362 1.00 0.00 C ATOM 541 C LEU A 39 6.990 -10.985 -0.435 1.00 0.00 C ATOM 542 O LEU A 39 6.562 -11.116 0.711 1.00 0.00 O ATOM 543 CB LEU A 39 6.298 -11.948 -2.648 1.00 0.00 C ATOM 544 CG LEU A 39 4.961 -11.225 -2.465 1.00 0.00 C ATOM 545 CD1 LEU A 39 5.132 -9.727 -2.671 1.00 0.00 C ATOM 546 CD2 LEU A 39 3.917 -11.782 -3.423 1.00 0.00 C ATOM 0 H LEU A 39 5.626 -13.553 -0.755 1.00 0.00 H new ATOM 0 HA LEU A 39 8.144 -12.326 -1.630 1.00 0.00 H new ATOM 0 HB2 LEU A 39 6.914 -11.368 -3.336 1.00 0.00 H new ATOM 0 HB3 LEU A 39 6.109 -12.911 -3.123 1.00 0.00 H new ATOM 0 HG LEU A 39 4.615 -11.394 -1.445 1.00 0.00 H new ATOM 0 HD11 LEU A 39 4.172 -9.229 -2.537 1.00 0.00 H new ATOM 0 HD12 LEU A 39 5.846 -9.339 -1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 39 5.501 -9.538 -3.679 1.00 0.00 H new ATOM 0 HD21 LEU A 39 2.973 -11.256 -3.279 1.00 0.00 H new ATOM 0 HD22 LEU A 39 4.255 -11.645 -4.450 1.00 0.00 H new ATOM 0 HD23 LEU A 39 3.774 -12.845 -3.227 1.00 0.00 H new ATOM 558 N VAL A 40 7.386 -9.820 -0.936 1.00 0.00 N ATOM 559 CA VAL A 40 7.340 -8.594 -0.151 1.00 0.00 C ATOM 560 C VAL A 40 7.079 -7.378 -1.036 1.00 0.00 C ATOM 561 O VAL A 40 8.009 -6.791 -1.589 1.00 0.00 O ATOM 562 CB VAL A 40 8.657 -8.379 0.615 1.00 0.00 C ATOM 563 CG1 VAL A 40 8.548 -7.184 1.550 1.00 0.00 C ATOM 564 CG2 VAL A 40 9.040 -9.635 1.383 1.00 0.00 C ATOM 0 H VAL A 40 7.743 -9.700 -1.884 1.00 0.00 H new ATOM 0 HA VAL A 40 6.520 -8.702 0.559 1.00 0.00 H new ATOM 0 HB VAL A 40 9.444 -8.169 -0.109 1.00 0.00 H new ATOM 0 HG11 VAL A 40 9.490 -7.051 2.081 1.00 0.00 H new ATOM 0 HG12 VAL A 40 8.328 -6.287 0.970 1.00 0.00 H new ATOM 0 HG13 VAL A 40 7.747 -7.357 2.269 1.00 0.00 H new ATOM 0 HG21 VAL A 40 9.974 -9.464 1.918 1.00 0.00 H new ATOM 0 HG22 VAL A 40 8.253 -9.880 2.096 1.00 0.00 H new ATOM 0 HG23 VAL A 40 9.168 -10.463 0.686 1.00 0.00 H new ATOM 574 N VAL A 41 5.810 -7.004 -1.164 1.00 0.00 N ATOM 575 CA VAL A 41 5.431 -5.856 -1.978 1.00 0.00 C ATOM 576 C VAL A 41 4.452 -4.955 -1.229 1.00 0.00 C ATOM 577 O VAL A 41 3.265 -5.262 -1.126 1.00 0.00 O ATOM 578 CB VAL A 41 4.796 -6.292 -3.315 1.00 0.00 C ATOM 579 CG1 VAL A 41 4.397 -5.081 -4.145 1.00 0.00 C ATOM 580 CG2 VAL A 41 5.750 -7.184 -4.094 1.00 0.00 C ATOM 0 H VAL A 41 5.027 -7.479 -0.714 1.00 0.00 H new ATOM 0 HA VAL A 41 6.346 -5.302 -2.189 1.00 0.00 H new ATOM 0 HB VAL A 41 3.895 -6.863 -3.093 1.00 0.00 H new ATOM 0 HG11 VAL A 41 3.952 -5.413 -5.083 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.673 -4.483 -3.591 1.00 0.00 H new ATOM 0 HG13 VAL A 41 5.280 -4.478 -4.356 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.285 -7.481 -5.034 1.00 0.00 H new ATOM 0 HG22 VAL A 41 6.671 -6.638 -4.302 1.00 0.00 H new ATOM 0 HG23 VAL A 41 5.980 -8.072 -3.506 1.00 0.00 H new ATOM 590 N GLY A 42 4.959 -3.842 -0.710 1.00 0.00 N ATOM 591 CA GLY A 42 4.118 -2.915 0.021 1.00 0.00 C ATOM 592 C GLY A 42 3.111 -2.218 -0.873 1.00 0.00 C ATOM 593 O GLY A 42 3.474 -1.354 -1.673 1.00 0.00 O ATOM 0 H GLY A 42 5.938 -3.566 -0.783 1.00 0.00 H new ATOM 0 HA2 GLY A 42 3.590 -3.452 0.809 1.00 0.00 H new ATOM 0 HA3 GLY A 42 4.744 -2.168 0.509 1.00 0.00 H new ATOM 597 N ASP A 43 1.844 -2.595 -0.742 1.00 0.00 N ATOM 598 CA ASP A 43 0.782 -2.001 -1.546 1.00 0.00 C ATOM 599 C ASP A 43 -0.274 -1.349 -0.659 1.00 0.00 C ATOM 600 O ASP A 43 -0.265 -1.518 0.560 1.00 0.00 O ATOM 601 CB ASP A 43 0.132 -3.065 -2.434 1.00 0.00 C ATOM 602 CG ASP A 43 1.154 -3.871 -3.211 1.00 0.00 C ATOM 603 OD1 ASP A 43 1.714 -3.335 -4.190 1.00 0.00 O ATOM 604 OD2 ASP A 43 1.395 -5.040 -2.841 1.00 0.00 O ATOM 0 H ASP A 43 1.527 -3.309 -0.087 1.00 0.00 H new ATOM 0 HA ASP A 43 1.226 -1.231 -2.177 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -0.463 -3.737 -1.815 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -0.553 -2.583 -3.131 1.00 0.00 H new ATOM 609 N ARG A 44 -1.181 -0.600 -1.279 1.00 0.00 N ATOM 610 CA ARG A 44 -2.243 0.079 -0.543 1.00 0.00 C ATOM 611 C ARG A 44 -3.429 0.390 -1.452 1.00 0.00 C ATOM 612 O ARG A 44 -4.033 1.459 -1.355 1.00 0.00 O ATOM 613 CB ARG A 44 -1.710 1.371 0.079 1.00 0.00 C ATOM 614 CG ARG A 44 -1.252 2.395 -0.946 1.00 0.00 C ATOM 615 CD ARG A 44 -1.365 3.812 -0.407 1.00 0.00 C ATOM 616 NE ARG A 44 -2.744 4.164 -0.078 1.00 0.00 N ATOM 617 CZ ARG A 44 -3.079 5.171 0.727 1.00 0.00 C ATOM 618 NH1 ARG A 44 -2.141 5.927 1.283 1.00 0.00 N ATOM 619 NH2 ARG A 44 -4.358 5.423 0.974 1.00 0.00 N ATOM 0 H ARG A 44 -1.202 -0.448 -2.287 1.00 0.00 H new ATOM 0 HA ARG A 44 -2.585 -0.587 0.249 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -2.489 1.814 0.700 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -0.876 1.130 0.738 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.218 2.193 -1.227 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -1.853 2.300 -1.851 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -0.743 3.912 0.483 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -0.978 4.513 -1.147 1.00 0.00 H new ATOM 0 HE ARG A 44 -3.493 3.607 -0.488 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -1.156 5.739 1.095 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.405 6.697 1.898 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.083 4.846 0.548 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.616 6.194 1.590 1.00 0.00 H new ATOM 633 N VAL A 45 -3.759 -0.550 -2.331 1.00 0.00 N ATOM 634 CA VAL A 45 -4.874 -0.373 -3.253 1.00 0.00 C ATOM 635 C VAL A 45 -6.165 -0.940 -2.667 1.00 0.00 C ATOM 636 O VAL A 45 -6.244 -2.125 -2.345 1.00 0.00 O ATOM 637 CB VAL A 45 -4.594 -1.044 -4.612 1.00 0.00 C ATOM 638 CG1 VAL A 45 -4.425 -2.547 -4.448 1.00 0.00 C ATOM 639 CG2 VAL A 45 -5.706 -0.730 -5.604 1.00 0.00 C ATOM 0 H VAL A 45 -3.271 -1.441 -2.424 1.00 0.00 H new ATOM 0 HA VAL A 45 -4.991 0.700 -3.409 1.00 0.00 H new ATOM 0 HB VAL A 45 -3.661 -0.640 -5.006 1.00 0.00 H new ATOM 0 HG11 VAL A 45 -4.228 -2.999 -5.420 1.00 0.00 H new ATOM 0 HG12 VAL A 45 -3.589 -2.748 -3.778 1.00 0.00 H new ATOM 0 HG13 VAL A 45 -5.337 -2.972 -4.028 1.00 0.00 H new ATOM 0 HG21 VAL A 45 -5.490 -1.213 -6.557 1.00 0.00 H new ATOM 0 HG22 VAL A 45 -6.655 -1.101 -5.216 1.00 0.00 H new ATOM 0 HG23 VAL A 45 -5.770 0.348 -5.749 1.00 0.00 H new ATOM 649 N ILE A 46 -7.173 -0.084 -2.532 1.00 0.00 N ATOM 650 CA ILE A 46 -8.460 -0.499 -1.986 1.00 0.00 C ATOM 651 C ILE A 46 -9.188 -1.433 -2.946 1.00 0.00 C ATOM 652 O ILE A 46 -9.914 -0.986 -3.833 1.00 0.00 O ATOM 653 CB ILE A 46 -9.361 0.714 -1.686 1.00 0.00 C ATOM 654 CG1 ILE A 46 -8.598 1.750 -0.856 1.00 0.00 C ATOM 655 CG2 ILE A 46 -10.623 0.273 -0.961 1.00 0.00 C ATOM 656 CD1 ILE A 46 -8.075 1.207 0.455 1.00 0.00 C ATOM 0 H ILE A 46 -7.123 0.901 -2.793 1.00 0.00 H new ATOM 0 HA ILE A 46 -8.253 -1.027 -1.055 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.651 1.173 -2.631 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.761 2.129 -1.443 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -9.254 2.596 -0.653 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -11.248 1.142 -0.757 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -11.174 -0.431 -1.585 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -10.353 -0.209 -0.021 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.545 1.995 0.990 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.909 0.854 1.061 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.393 0.380 0.260 1.00 0.00 H new ATOM 668 N ASP A 47 -8.988 -2.735 -2.763 1.00 0.00 N ATOM 669 CA ASP A 47 -9.626 -3.732 -3.614 1.00 0.00 C ATOM 670 C ASP A 47 -9.829 -5.043 -2.860 1.00 0.00 C ATOM 671 O ASP A 47 -9.781 -6.123 -3.448 1.00 0.00 O ATOM 672 CB ASP A 47 -8.786 -3.977 -4.869 1.00 0.00 C ATOM 673 CG ASP A 47 -9.637 -4.140 -6.112 1.00 0.00 C ATOM 674 OD1 ASP A 47 -10.548 -4.995 -6.101 1.00 0.00 O ATOM 675 OD2 ASP A 47 -9.392 -3.413 -7.098 1.00 0.00 O ATOM 0 H ASP A 47 -8.390 -3.123 -2.034 1.00 0.00 H new ATOM 0 HA ASP A 47 -10.603 -3.348 -3.909 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -8.098 -3.144 -5.010 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -8.179 -4.871 -4.728 1.00 0.00 H new ATOM 680 N VAL A 48 -10.057 -4.940 -1.555 1.00 0.00 N ATOM 681 CA VAL A 48 -10.267 -6.118 -0.722 1.00 0.00 C ATOM 682 C VAL A 48 -11.742 -6.284 -0.370 1.00 0.00 C ATOM 683 O VAL A 48 -12.235 -7.403 -0.229 1.00 0.00 O ATOM 684 CB VAL A 48 -9.438 -6.045 0.576 1.00 0.00 C ATOM 685 CG1 VAL A 48 -9.870 -4.860 1.428 1.00 0.00 C ATOM 686 CG2 VAL A 48 -9.557 -7.344 1.360 1.00 0.00 C ATOM 0 H VAL A 48 -10.101 -4.054 -1.052 1.00 0.00 H new ATOM 0 HA VAL A 48 -9.937 -6.981 -1.301 1.00 0.00 H new ATOM 0 HB VAL A 48 -8.392 -5.903 0.305 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -9.271 -4.829 2.338 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -9.726 -3.937 0.867 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -10.923 -4.965 1.690 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -8.965 -7.274 2.273 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -10.602 -7.519 1.617 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -9.189 -8.171 0.752 1.00 0.00 H new ATOM 696 N GLY A 49 -12.441 -5.163 -0.229 1.00 0.00 N ATOM 697 CA GLY A 49 -13.853 -5.206 0.105 1.00 0.00 C ATOM 698 C GLY A 49 -14.095 -5.318 1.597 1.00 0.00 C ATOM 699 O GLY A 49 -14.803 -4.495 2.180 1.00 0.00 O ATOM 0 H GLY A 49 -12.055 -4.225 -0.340 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -14.339 -4.306 -0.272 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -14.316 -6.054 -0.399 1.00 0.00 H new ATOM 703 N SER A 50 -13.510 -6.337 2.216 1.00 0.00 N ATOM 704 CA SER A 50 -13.670 -6.553 3.649 1.00 0.00 C ATOM 705 C SER A 50 -15.134 -6.785 4.003 1.00 0.00 C ATOM 706 O SER A 50 -15.755 -5.975 4.693 1.00 0.00 O ATOM 707 CB SER A 50 -13.121 -5.358 4.431 1.00 0.00 C ATOM 708 OG SER A 50 -11.770 -5.568 4.804 1.00 0.00 O ATOM 0 H SER A 50 -12.921 -7.026 1.748 1.00 0.00 H new ATOM 0 HA SER A 50 -13.106 -7.444 3.924 1.00 0.00 H new ATOM 0 HB2 SER A 50 -13.198 -4.456 3.824 1.00 0.00 H new ATOM 0 HB3 SER A 50 -13.726 -5.194 5.323 1.00 0.00 H new ATOM 0 HG SER A 50 -11.443 -4.789 5.301 1.00 0.00 H new ATOM 714 N GLU A 51 -15.680 -7.897 3.525 1.00 0.00 N ATOM 715 CA GLU A 51 -17.071 -8.239 3.788 1.00 0.00 C ATOM 716 C GLU A 51 -17.188 -9.664 4.319 1.00 0.00 C ATOM 717 O GLU A 51 -16.464 -10.560 3.885 1.00 0.00 O ATOM 718 CB GLU A 51 -17.907 -8.088 2.515 1.00 0.00 C ATOM 719 CG GLU A 51 -17.337 -8.836 1.322 1.00 0.00 C ATOM 720 CD GLU A 51 -18.415 -9.364 0.395 1.00 0.00 C ATOM 721 OE1 GLU A 51 -19.552 -8.848 0.452 1.00 0.00 O ATOM 722 OE2 GLU A 51 -18.124 -10.294 -0.386 1.00 0.00 O ATOM 0 H GLU A 51 -15.179 -8.577 2.953 1.00 0.00 H new ATOM 0 HA GLU A 51 -17.450 -7.553 4.546 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -18.918 -8.447 2.709 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -17.987 -7.030 2.266 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -16.676 -8.173 0.764 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -16.728 -9.668 1.676 1.00 0.00 H new ATOM 729 N TRP A 52 -18.104 -9.864 5.258 1.00 0.00 N ATOM 730 CA TRP A 52 -18.318 -11.183 5.848 1.00 0.00 C ATOM 731 C TRP A 52 -19.317 -11.990 5.022 1.00 0.00 C ATOM 732 O TRP A 52 -20.321 -12.475 5.541 1.00 0.00 O ATOM 733 CB TRP A 52 -18.805 -11.062 7.298 1.00 0.00 C ATOM 734 CG TRP A 52 -19.817 -9.975 7.515 1.00 0.00 C ATOM 735 CD1 TRP A 52 -19.562 -8.652 7.745 1.00 0.00 C ATOM 736 CD2 TRP A 52 -21.242 -10.117 7.534 1.00 0.00 C ATOM 737 NE1 TRP A 52 -20.740 -7.964 7.896 1.00 0.00 N ATOM 738 CE2 TRP A 52 -21.786 -8.840 7.770 1.00 0.00 C ATOM 739 CE3 TRP A 52 -22.113 -11.199 7.367 1.00 0.00 C ATOM 740 CZ2 TRP A 52 -23.159 -8.617 7.848 1.00 0.00 C ATOM 741 CZ3 TRP A 52 -23.475 -10.976 7.446 1.00 0.00 C ATOM 742 CH2 TRP A 52 -23.986 -9.694 7.682 1.00 0.00 C ATOM 0 H TRP A 52 -18.711 -9.132 5.628 1.00 0.00 H new ATOM 0 HA TRP A 52 -17.363 -11.708 5.848 1.00 0.00 H new ATOM 0 HB2 TRP A 52 -19.238 -12.014 7.605 1.00 0.00 H new ATOM 0 HB3 TRP A 52 -17.947 -10.879 7.944 1.00 0.00 H new ATOM 0 HD1 TRP A 52 -18.577 -8.212 7.800 1.00 0.00 H new ATOM 0 HE1 TRP A 52 -20.823 -6.963 8.073 1.00 0.00 H new ATOM 0 HE3 TRP A 52 -21.728 -12.191 7.180 1.00 0.00 H new ATOM 0 HZ2 TRP A 52 -23.556 -7.630 8.033 1.00 0.00 H new ATOM 0 HZ3 TRP A 52 -24.157 -11.805 7.324 1.00 0.00 H new ATOM 0 HH2 TRP A 52 -25.055 -9.552 7.734 1.00 0.00 H new ATOM 753 N ARG A 53 -19.030 -12.131 3.732 1.00 0.00 N ATOM 754 CA ARG A 53 -19.898 -12.881 2.832 1.00 0.00 C ATOM 755 C ARG A 53 -19.076 -13.734 1.870 1.00 0.00 C ATOM 756 O ARG A 53 -17.855 -13.826 1.996 1.00 0.00 O ATOM 757 CB ARG A 53 -20.799 -11.925 2.046 1.00 0.00 C ATOM 758 CG ARG A 53 -22.218 -11.848 2.585 1.00 0.00 C ATOM 759 CD ARG A 53 -23.052 -10.834 1.816 1.00 0.00 C ATOM 760 NE ARG A 53 -23.209 -9.582 2.554 1.00 0.00 N ATOM 761 CZ ARG A 53 -23.576 -8.432 1.994 1.00 0.00 C ATOM 762 NH1 ARG A 53 -23.824 -8.370 0.691 1.00 0.00 N ATOM 763 NH2 ARG A 53 -23.695 -7.341 2.737 1.00 0.00 N ATOM 0 H ARG A 53 -18.202 -11.735 3.286 1.00 0.00 H new ATOM 0 HA ARG A 53 -20.521 -13.543 3.433 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -20.358 -10.928 2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -20.831 -12.243 1.004 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -22.687 -12.830 2.520 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -22.193 -11.575 3.640 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -22.580 -10.631 0.854 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -24.034 -11.257 1.606 1.00 0.00 H new ATOM 0 HE ARG A 53 -23.026 -9.590 3.557 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -23.734 -9.206 0.114 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -24.105 -7.486 0.267 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -23.505 -7.383 3.738 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -23.976 -6.460 2.307 1.00 0.00 H new ATOM 777 N THR A 54 -19.753 -14.355 0.910 1.00 0.00 N ATOM 778 CA THR A 54 -19.082 -15.199 -0.073 1.00 0.00 C ATOM 779 C THR A 54 -19.111 -14.555 -1.455 1.00 0.00 C ATOM 780 O THR A 54 -19.941 -13.687 -1.729 1.00 0.00 O ATOM 781 CB THR A 54 -19.743 -16.578 -0.127 1.00 0.00 C ATOM 782 OG1 THR A 54 -20.172 -16.978 1.163 1.00 0.00 O ATOM 783 CG2 THR A 54 -18.829 -17.658 -0.663 1.00 0.00 C ATOM 0 H THR A 54 -20.764 -14.290 0.791 1.00 0.00 H new ATOM 0 HA THR A 54 -18.042 -15.313 0.233 1.00 0.00 H new ATOM 0 HB THR A 54 -20.587 -16.469 -0.808 1.00 0.00 H new ATOM 0 HG1 THR A 54 -20.446 -17.918 1.139 1.00 0.00 H new ATOM 0 HG21 THR A 54 -19.359 -18.610 -0.675 1.00 0.00 H new ATOM 0 HG22 THR A 54 -18.519 -17.403 -1.676 1.00 0.00 H new ATOM 0 HG23 THR A 54 -17.949 -17.740 -0.024 1.00 0.00 H new ATOM 791 N PHE A 55 -18.200 -14.984 -2.322 1.00 0.00 N ATOM 792 CA PHE A 55 -18.121 -14.450 -3.677 1.00 0.00 C ATOM 793 C PHE A 55 -18.935 -15.301 -4.645 1.00 0.00 C ATOM 794 O PHE A 55 -20.026 -14.911 -5.064 1.00 0.00 O ATOM 795 CB PHE A 55 -16.662 -14.384 -4.136 1.00 0.00 C ATOM 796 CG PHE A 55 -16.036 -13.030 -3.954 1.00 0.00 C ATOM 797 CD1 PHE A 55 -16.546 -11.923 -4.613 1.00 0.00 C ATOM 798 CD2 PHE A 55 -14.937 -12.866 -3.127 1.00 0.00 C ATOM 799 CE1 PHE A 55 -15.972 -10.676 -4.449 1.00 0.00 C ATOM 800 CE2 PHE A 55 -14.359 -11.622 -2.959 1.00 0.00 C ATOM 801 CZ PHE A 55 -14.877 -10.527 -3.620 1.00 0.00 C ATOM 0 H PHE A 55 -17.506 -15.700 -2.110 1.00 0.00 H new ATOM 0 HA PHE A 55 -18.538 -13.443 -3.670 1.00 0.00 H new ATOM 0 HB2 PHE A 55 -16.081 -15.121 -3.581 1.00 0.00 H new ATOM 0 HB3 PHE A 55 -16.608 -14.662 -5.189 1.00 0.00 H new ATOM 0 HD1 PHE A 55 -17.402 -12.036 -5.262 1.00 0.00 H new ATOM 0 HD2 PHE A 55 -14.527 -13.720 -2.608 1.00 0.00 H new ATOM 0 HE1 PHE A 55 -16.379 -9.820 -4.968 1.00 0.00 H new ATOM 0 HE2 PHE A 55 -13.503 -11.507 -2.311 1.00 0.00 H new ATOM 0 HZ PHE A 55 -14.427 -9.554 -3.489 1.00 0.00 H new ATOM 811 N SER A 56 -18.399 -16.464 -4.998 1.00 0.00 N ATOM 812 CA SER A 56 -19.075 -17.373 -5.918 1.00 0.00 C ATOM 813 C SER A 56 -19.664 -18.573 -5.179 1.00 0.00 C ATOM 814 O SER A 56 -20.501 -19.294 -5.722 1.00 0.00 O ATOM 815 CB SER A 56 -18.105 -17.852 -6.999 1.00 0.00 C ATOM 816 OG SER A 56 -17.642 -16.769 -7.787 1.00 0.00 O ATOM 0 H SER A 56 -17.497 -16.800 -4.661 1.00 0.00 H new ATOM 0 HA SER A 56 -19.893 -16.826 -6.386 1.00 0.00 H new ATOM 0 HB2 SER A 56 -17.257 -18.355 -6.534 1.00 0.00 H new ATOM 0 HB3 SER A 56 -18.600 -18.584 -7.637 1.00 0.00 H new ATOM 0 HG SER A 56 -17.022 -17.102 -8.469 1.00 0.00 H new ATOM 822 N ASN A 57 -19.223 -18.783 -3.941 1.00 0.00 N ATOM 823 CA ASN A 57 -19.708 -19.898 -3.133 1.00 0.00 C ATOM 824 C ASN A 57 -19.353 -21.234 -3.778 1.00 0.00 C ATOM 825 O ASN A 57 -19.305 -21.352 -5.001 1.00 0.00 O ATOM 826 CB ASN A 57 -21.223 -19.798 -2.939 1.00 0.00 C ATOM 827 CG ASN A 57 -21.615 -18.655 -2.024 1.00 0.00 C ATOM 828 OD1 ASN A 57 -21.723 -17.507 -2.455 1.00 0.00 O ATOM 829 ND2 ASN A 57 -21.829 -18.964 -0.750 1.00 0.00 N ATOM 0 H ASN A 57 -18.531 -18.196 -3.476 1.00 0.00 H new ATOM 0 HA ASN A 57 -19.221 -19.844 -2.159 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -21.703 -19.664 -3.909 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -21.596 -20.735 -2.526 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -22.094 -18.236 -0.086 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -21.728 -19.929 -0.435 1.00 0.00 H new ATOM 836 N ASP A 58 -19.102 -22.237 -2.943 1.00 0.00 N ATOM 837 CA ASP A 58 -18.749 -23.567 -3.428 1.00 0.00 C ATOM 838 C ASP A 58 -17.456 -23.531 -4.239 1.00 0.00 C ATOM 839 O ASP A 58 -17.203 -24.414 -5.059 1.00 0.00 O ATOM 840 CB ASP A 58 -19.887 -24.140 -4.278 1.00 0.00 C ATOM 841 CG ASP A 58 -20.436 -25.435 -3.712 1.00 0.00 C ATOM 842 OD1 ASP A 58 -19.799 -26.490 -3.918 1.00 0.00 O ATOM 843 OD2 ASP A 58 -21.502 -25.395 -3.063 1.00 0.00 O ATOM 0 H ASP A 58 -19.136 -22.154 -1.927 1.00 0.00 H new ATOM 0 HA ASP A 58 -18.591 -24.211 -2.563 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -20.691 -23.407 -4.346 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -19.527 -24.314 -5.292 1.00 0.00 H new ATOM 848 N LYS A 59 -16.639 -22.508 -4.006 1.00 0.00 N ATOM 849 CA LYS A 59 -15.371 -22.361 -4.715 1.00 0.00 C ATOM 850 C LYS A 59 -14.649 -21.091 -4.280 1.00 0.00 C ATOM 851 O LYS A 59 -15.030 -19.985 -4.667 1.00 0.00 O ATOM 852 CB LYS A 59 -15.603 -22.339 -6.228 1.00 0.00 C ATOM 853 CG LYS A 59 -14.567 -23.128 -7.012 1.00 0.00 C ATOM 854 CD LYS A 59 -14.608 -22.789 -8.494 1.00 0.00 C ATOM 855 CE LYS A 59 -15.031 -23.985 -9.330 1.00 0.00 C ATOM 856 NZ LYS A 59 -13.861 -24.771 -9.808 1.00 0.00 N ATOM 857 OXT LYS A 59 -13.515 -21.184 -3.414 1.00 0.00 O ATOM 0 H LYS A 59 -16.832 -21.768 -3.331 1.00 0.00 H new ATOM 0 HA LYS A 59 -14.745 -23.217 -4.466 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -16.593 -22.742 -6.442 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -15.598 -21.305 -6.573 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -13.573 -22.917 -6.617 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -14.743 -24.195 -6.877 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -15.302 -21.965 -8.660 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -13.624 -22.448 -8.817 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -15.683 -24.628 -8.739 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -15.612 -23.642 -10.186 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -14.193 -25.578 -10.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -13.251 -24.165 -10.393 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -13.320 -25.120 -8.991 1.00 0.00 H new TER 871 LYS A 59 HETATM 872 ZN ZN A 60 2.636 -15.856 -3.656 1.00 0.00 ZN