USER MOD reduce.3.24.130724 H: found=0, std=0, add=397, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 396 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 26 SER OG : rot 72:sc= -2.54! USER MOD Set 1.2: A 49 THR OG1 : rot -62:sc= 1.28 USER MOD Set 2.1: A 17 THR OG1 : rot 180:sc= -0.0829 USER MOD Set 2.2: A 33 ASN : amide:sc= -0.616 K(o=-0.57,f=-6.9!) USER MOD Set 2.3: A 36 ASN : amide:sc= 0.13 X(o=-0.57,f=-0.82) USER MOD Set 3.1: A 20 TYR OH : rot 30:sc= 0.0199 USER MOD Set 3.2: A 55 LYS NZ :NH3+ -143:sc= 0.0229 (180deg=-0.132) USER MOD Single : A 1 LEU N :NH3+ 137:sc= -0.0575 (180deg=-0.48) USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -49:sc= 0.218 USER MOD Single : A 11 TYR OH : rot 15:sc= -1.59 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 28 ASN : amide:sc= -5.14 X(o=-5.1,f=-5.1!) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 THR OG1 : rot -18:sc= 1.4 USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 ASN : amide:sc= -3.4! C(o=-3.4!,f=-7.8!) USER MOD Single : A 44 SER OG : rot -72:sc= 0.71 USER MOD Single : A 45 ASN : amide:sc= -0.0391 X(o=-0.039,f=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= -1.19 USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 52 HIS : no HE2:sc= -9.98! C(o=-10!,f=-11!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 11.839 13.933 3.616 1.00 0.00 N ATOM 2 CA LEU A 1 10.651 13.187 3.114 1.00 0.00 C ATOM 3 C LEU A 1 10.231 13.750 1.753 1.00 0.00 C ATOM 4 O LEU A 1 10.245 14.945 1.535 1.00 0.00 O ATOM 5 CB LEU A 1 9.498 13.341 4.108 1.00 0.00 C ATOM 6 CG LEU A 1 8.980 14.779 4.072 1.00 0.00 C ATOM 7 CD1 LEU A 1 7.724 14.850 3.200 1.00 0.00 C ATOM 8 CD2 LEU A 1 8.636 15.231 5.494 1.00 0.00 C ATOM 0 H1 LEU A 1 11.718 14.137 4.629 1.00 0.00 H new ATOM 0 H2 LEU A 1 12.694 13.357 3.478 1.00 0.00 H new ATOM 0 H3 LEU A 1 11.935 14.826 3.092 1.00 0.00 H new ATOM 0 HA LEU A 1 10.902 12.132 3.007 1.00 0.00 H new ATOM 0 HB2 LEU A 1 8.695 12.648 3.859 1.00 0.00 H new ATOM 0 HB3 LEU A 1 9.835 13.090 5.114 1.00 0.00 H new ATOM 0 HG LEU A 1 9.748 15.431 3.656 1.00 0.00 H new ATOM 0 HD11 LEU A 1 7.356 15.876 3.175 1.00 0.00 H new ATOM 0 HD12 LEU A 1 7.965 14.527 2.187 1.00 0.00 H new ATOM 0 HD13 LEU A 1 6.955 14.198 3.616 1.00 0.00 H new ATOM 0 HD21 LEU A 1 8.266 16.256 5.471 1.00 0.00 H new ATOM 0 HD22 LEU A 1 7.868 14.578 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 1 9.529 15.181 6.118 1.00 0.00 H new ATOM 22 N ALA A 2 9.859 12.898 0.838 1.00 0.00 N ATOM 23 CA ALA A 2 9.439 13.385 -0.507 1.00 0.00 C ATOM 24 C ALA A 2 7.912 13.390 -0.592 1.00 0.00 C ATOM 25 O ALA A 2 7.328 14.084 -1.401 1.00 0.00 O ATOM 26 CB ALA A 2 10.010 12.464 -1.586 1.00 0.00 C ATOM 0 H ALA A 2 9.828 11.886 0.963 1.00 0.00 H new ATOM 0 HA ALA A 2 9.814 14.397 -0.661 1.00 0.00 H new ATOM 0 HB1 ALA A 2 9.702 12.821 -2.569 1.00 0.00 H new ATOM 0 HB2 ALA A 2 11.098 12.463 -1.525 1.00 0.00 H new ATOM 0 HB3 ALA A 2 9.637 11.451 -1.435 1.00 0.00 H new ATOM 32 N ALA A 3 7.261 12.622 0.237 1.00 0.00 N ATOM 33 CA ALA A 3 5.772 12.582 0.206 1.00 0.00 C ATOM 34 C ALA A 3 5.277 11.416 1.065 1.00 0.00 C ATOM 35 O ALA A 3 6.026 10.833 1.824 1.00 0.00 O ATOM 36 CB ALA A 3 5.294 12.396 -1.234 1.00 0.00 C ATOM 0 H ALA A 3 7.696 12.020 0.936 1.00 0.00 H new ATOM 0 HA ALA A 3 5.375 13.518 0.599 1.00 0.00 H new ATOM 0 HB1 ALA A 3 4.205 12.367 -1.255 1.00 0.00 H new ATOM 0 HB2 ALA A 3 5.647 13.227 -1.845 1.00 0.00 H new ATOM 0 HB3 ALA A 3 5.690 11.461 -1.631 1.00 0.00 H new ATOM 42 N VAL A 4 4.023 11.071 0.956 1.00 0.00 N ATOM 43 CA VAL A 4 3.492 9.943 1.770 1.00 0.00 C ATOM 44 C VAL A 4 2.738 8.964 0.865 1.00 0.00 C ATOM 45 O VAL A 4 1.525 8.904 0.869 1.00 0.00 O ATOM 46 CB VAL A 4 2.548 10.485 2.845 1.00 0.00 C ATOM 47 CG1 VAL A 4 3.368 11.182 3.932 1.00 0.00 C ATOM 48 CG2 VAL A 4 1.579 11.487 2.216 1.00 0.00 C ATOM 0 H VAL A 4 3.346 11.521 0.340 1.00 0.00 H new ATOM 0 HA VAL A 4 4.321 9.422 2.249 1.00 0.00 H new ATOM 0 HB VAL A 4 1.983 9.662 3.284 1.00 0.00 H new ATOM 0 HG11 VAL A 4 2.699 11.570 4.700 1.00 0.00 H new ATOM 0 HG12 VAL A 4 4.060 10.468 4.380 1.00 0.00 H new ATOM 0 HG13 VAL A 4 3.931 12.005 3.492 1.00 0.00 H new ATOM 0 HG21 VAL A 4 0.907 11.873 2.982 1.00 0.00 H new ATOM 0 HG22 VAL A 4 2.142 12.312 1.778 1.00 0.00 H new ATOM 0 HG23 VAL A 4 0.997 10.992 1.439 1.00 0.00 H new ATOM 58 N SER A 5 3.456 8.195 0.093 1.00 0.00 N ATOM 59 CA SER A 5 2.794 7.214 -0.813 1.00 0.00 C ATOM 60 C SER A 5 3.816 6.162 -1.246 1.00 0.00 C ATOM 61 O SER A 5 5.010 6.372 -1.163 1.00 0.00 O ATOM 62 CB SER A 5 2.254 7.940 -2.045 1.00 0.00 C ATOM 63 OG SER A 5 3.251 7.952 -3.058 1.00 0.00 O ATOM 0 H SER A 5 4.475 8.204 0.051 1.00 0.00 H new ATOM 0 HA SER A 5 1.969 6.730 -0.290 1.00 0.00 H new ATOM 0 HB2 SER A 5 1.355 7.443 -2.409 1.00 0.00 H new ATOM 0 HB3 SER A 5 1.971 8.960 -1.785 1.00 0.00 H new ATOM 0 HG SER A 5 2.907 8.416 -3.850 1.00 0.00 H new ATOM 69 N VAL A 6 3.361 5.029 -1.704 1.00 0.00 N ATOM 70 CA VAL A 6 4.315 3.968 -2.134 1.00 0.00 C ATOM 71 C VAL A 6 4.275 3.830 -3.661 1.00 0.00 C ATOM 72 O VAL A 6 3.744 4.673 -4.356 1.00 0.00 O ATOM 73 CB VAL A 6 3.932 2.640 -1.458 1.00 0.00 C ATOM 74 CG1 VAL A 6 2.920 1.868 -2.313 1.00 0.00 C ATOM 75 CG2 VAL A 6 5.188 1.787 -1.264 1.00 0.00 C ATOM 0 H VAL A 6 2.373 4.792 -1.799 1.00 0.00 H new ATOM 0 HA VAL A 6 5.329 4.235 -1.837 1.00 0.00 H new ATOM 0 HB VAL A 6 3.477 2.859 -0.492 1.00 0.00 H new ATOM 0 HG11 VAL A 6 2.663 0.932 -1.816 1.00 0.00 H new ATOM 0 HG12 VAL A 6 2.020 2.469 -2.443 1.00 0.00 H new ATOM 0 HG13 VAL A 6 3.357 1.653 -3.288 1.00 0.00 H new ATOM 0 HG21 VAL A 6 4.918 0.846 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 6 5.643 1.584 -2.233 1.00 0.00 H new ATOM 0 HG23 VAL A 6 5.899 2.323 -0.635 1.00 0.00 H new ATOM 85 N ASP A 7 4.830 2.772 -4.183 1.00 0.00 N ATOM 86 CA ASP A 7 4.821 2.576 -5.660 1.00 0.00 C ATOM 87 C ASP A 7 4.015 1.319 -5.996 1.00 0.00 C ATOM 88 O ASP A 7 4.234 0.264 -5.436 1.00 0.00 O ATOM 89 CB ASP A 7 6.255 2.411 -6.167 1.00 0.00 C ATOM 90 CG ASP A 7 6.256 2.391 -7.696 1.00 0.00 C ATOM 91 OD1 ASP A 7 6.105 3.451 -8.283 1.00 0.00 O ATOM 92 OD2 ASP A 7 6.405 1.318 -8.255 1.00 0.00 O ATOM 0 H ASP A 7 5.290 2.034 -3.650 1.00 0.00 H new ATOM 0 HA ASP A 7 4.368 3.444 -6.139 1.00 0.00 H new ATOM 0 HB2 ASP A 7 6.877 3.229 -5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 7 6.685 1.487 -5.780 1.00 0.00 H new ATOM 97 N CYS A 8 3.081 1.424 -6.901 1.00 0.00 N ATOM 98 CA CYS A 8 2.259 0.233 -7.262 1.00 0.00 C ATOM 99 C CYS A 8 1.870 0.307 -8.740 1.00 0.00 C ATOM 100 O CYS A 8 0.710 0.228 -9.092 1.00 0.00 O ATOM 101 CB CYS A 8 0.993 0.209 -6.402 1.00 0.00 C ATOM 102 SG CYS A 8 1.401 0.729 -4.716 1.00 0.00 S ATOM 0 H CYS A 8 2.851 2.280 -7.405 1.00 0.00 H new ATOM 0 HA CYS A 8 2.837 -0.674 -7.085 1.00 0.00 H new ATOM 0 HB2 CYS A 8 0.239 0.872 -6.826 1.00 0.00 H new ATOM 0 HB3 CYS A 8 0.566 -0.794 -6.392 1.00 0.00 H new ATOM 107 N SER A 9 2.832 0.457 -9.609 1.00 0.00 N ATOM 108 CA SER A 9 2.516 0.534 -11.064 1.00 0.00 C ATOM 109 C SER A 9 2.554 -0.867 -11.677 1.00 0.00 C ATOM 110 O SER A 9 2.667 -1.026 -12.875 1.00 0.00 O ATOM 111 CB SER A 9 3.545 1.425 -11.761 1.00 0.00 C ATOM 112 OG SER A 9 3.044 1.815 -13.031 1.00 0.00 O ATOM 0 H SER A 9 3.822 0.530 -9.375 1.00 0.00 H new ATOM 0 HA SER A 9 1.519 0.956 -11.195 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.752 2.306 -11.153 1.00 0.00 H new ATOM 0 HB3 SER A 9 4.487 0.890 -11.878 1.00 0.00 H new ATOM 0 HG SER A 9 2.711 1.026 -13.508 1.00 0.00 H new ATOM 118 N GLU A 10 2.462 -1.888 -10.867 1.00 0.00 N ATOM 119 CA GLU A 10 2.497 -3.273 -11.415 1.00 0.00 C ATOM 120 C GLU A 10 1.484 -4.149 -10.672 1.00 0.00 C ATOM 121 O GLU A 10 1.461 -5.353 -10.827 1.00 0.00 O ATOM 122 CB GLU A 10 3.900 -3.854 -11.236 1.00 0.00 C ATOM 123 CG GLU A 10 4.941 -2.823 -11.679 1.00 0.00 C ATOM 124 CD GLU A 10 5.221 -1.850 -10.532 1.00 0.00 C ATOM 125 OE1 GLU A 10 4.553 -1.953 -9.517 1.00 0.00 O ATOM 126 OE2 GLU A 10 6.100 -1.019 -10.688 1.00 0.00 O ATOM 0 H GLU A 10 2.365 -1.822 -9.854 1.00 0.00 H new ATOM 0 HA GLU A 10 2.243 -3.249 -12.475 1.00 0.00 H new ATOM 0 HB2 GLU A 10 4.062 -4.125 -10.193 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.004 -4.767 -11.822 1.00 0.00 H new ATOM 0 HG2 GLU A 10 5.862 -3.325 -11.976 1.00 0.00 H new ATOM 0 HG3 GLU A 10 4.580 -2.278 -12.551 1.00 0.00 H new ATOM 133 N TYR A 11 0.648 -3.554 -9.867 1.00 0.00 N ATOM 134 CA TYR A 11 -0.353 -4.341 -9.119 1.00 0.00 C ATOM 135 C TYR A 11 -1.608 -4.510 -9.989 1.00 0.00 C ATOM 136 O TYR A 11 -1.804 -3.780 -10.940 1.00 0.00 O ATOM 137 CB TYR A 11 -0.662 -3.601 -7.814 1.00 0.00 C ATOM 138 CG TYR A 11 0.530 -3.752 -6.895 1.00 0.00 C ATOM 139 CD1 TYR A 11 1.577 -2.823 -6.951 1.00 0.00 C ATOM 140 CD2 TYR A 11 0.601 -4.829 -6.000 1.00 0.00 C ATOM 141 CE1 TYR A 11 2.689 -2.968 -6.116 1.00 0.00 C ATOM 142 CE2 TYR A 11 1.718 -4.975 -5.165 1.00 0.00 C ATOM 143 CZ TYR A 11 2.760 -4.043 -5.223 1.00 0.00 C ATOM 144 OH TYR A 11 3.861 -4.188 -4.402 1.00 0.00 O ATOM 0 H TYR A 11 0.621 -2.548 -9.699 1.00 0.00 H new ATOM 0 HA TYR A 11 0.021 -5.336 -8.877 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -0.859 -2.547 -8.011 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -1.557 -4.011 -7.347 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.525 -1.993 -7.640 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -0.205 -5.546 -5.954 1.00 0.00 H new ATOM 0 HE1 TYR A 11 3.494 -2.249 -6.160 1.00 0.00 H new ATOM 0 HE2 TYR A 11 1.774 -5.806 -4.478 1.00 0.00 H new ATOM 0 HH TYR A 11 4.374 -3.353 -4.392 1.00 0.00 H new ATOM 154 N PRO A 12 -2.392 -5.502 -9.660 1.00 0.00 N ATOM 155 CA PRO A 12 -2.130 -6.371 -8.502 1.00 0.00 C ATOM 156 C PRO A 12 -0.994 -7.355 -8.789 1.00 0.00 C ATOM 157 O PRO A 12 -0.488 -7.445 -9.890 1.00 0.00 O ATOM 158 CB PRO A 12 -3.455 -7.111 -8.298 1.00 0.00 C ATOM 159 CG PRO A 12 -4.191 -7.063 -9.660 1.00 0.00 C ATOM 160 CD PRO A 12 -3.595 -5.871 -10.433 1.00 0.00 C ATOM 0 HA PRO A 12 -1.815 -5.811 -7.622 1.00 0.00 H new ATOM 0 HB2 PRO A 12 -3.282 -8.141 -7.985 1.00 0.00 H new ATOM 0 HB3 PRO A 12 -4.050 -6.637 -7.517 1.00 0.00 H new ATOM 0 HG2 PRO A 12 -4.050 -7.993 -10.211 1.00 0.00 H new ATOM 0 HG3 PRO A 12 -5.264 -6.936 -9.518 1.00 0.00 H new ATOM 0 HD2 PRO A 12 -3.341 -6.147 -11.457 1.00 0.00 H new ATOM 0 HD3 PRO A 12 -4.300 -5.042 -10.492 1.00 0.00 H new ATOM 168 N LYS A 13 -0.588 -8.086 -7.787 1.00 0.00 N ATOM 169 CA LYS A 13 0.516 -9.066 -7.959 1.00 0.00 C ATOM 170 C LYS A 13 0.043 -10.440 -7.472 1.00 0.00 C ATOM 171 O LYS A 13 -0.718 -10.528 -6.528 1.00 0.00 O ATOM 172 CB LYS A 13 1.712 -8.609 -7.125 1.00 0.00 C ATOM 173 CG LYS A 13 2.888 -8.280 -8.047 1.00 0.00 C ATOM 174 CD LYS A 13 4.170 -8.170 -7.219 1.00 0.00 C ATOM 175 CE LYS A 13 5.245 -9.072 -7.826 1.00 0.00 C ATOM 176 NZ LYS A 13 5.953 -8.339 -8.911 1.00 0.00 N ATOM 0 H LYS A 13 -0.980 -8.044 -6.846 1.00 0.00 H new ATOM 0 HA LYS A 13 0.804 -9.132 -9.008 1.00 0.00 H new ATOM 0 HB2 LYS A 13 1.443 -7.732 -6.536 1.00 0.00 H new ATOM 0 HB3 LYS A 13 1.997 -9.391 -6.421 1.00 0.00 H new ATOM 0 HG2 LYS A 13 2.997 -9.055 -8.805 1.00 0.00 H new ATOM 0 HG3 LYS A 13 2.701 -7.344 -8.573 1.00 0.00 H new ATOM 0 HD2 LYS A 13 4.516 -7.136 -7.199 1.00 0.00 H new ATOM 0 HD3 LYS A 13 3.976 -8.461 -6.187 1.00 0.00 H new ATOM 0 HE2 LYS A 13 5.954 -9.379 -7.057 1.00 0.00 H new ATOM 0 HE3 LYS A 13 4.791 -9.981 -8.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 6.684 -8.952 -9.324 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 5.272 -8.067 -9.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 6.398 -7.485 -8.519 1.00 0.00 H new ATOM 190 N PRO A 14 0.502 -11.476 -8.132 1.00 0.00 N ATOM 191 CA PRO A 14 0.131 -12.864 -7.789 1.00 0.00 C ATOM 192 C PRO A 14 0.915 -13.355 -6.570 1.00 0.00 C ATOM 193 O PRO A 14 0.941 -14.531 -6.265 1.00 0.00 O ATOM 194 CB PRO A 14 0.508 -13.653 -9.043 1.00 0.00 C ATOM 195 CG PRO A 14 1.566 -12.807 -9.791 1.00 0.00 C ATOM 196 CD PRO A 14 1.414 -11.361 -9.291 1.00 0.00 C ATOM 0 HA PRO A 14 -0.921 -12.971 -7.523 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.909 -14.632 -8.780 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -0.366 -13.825 -9.671 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.570 -13.181 -9.593 1.00 0.00 H new ATOM 0 HG3 PRO A 14 1.413 -12.861 -10.869 1.00 0.00 H new ATOM 0 HD2 PRO A 14 2.375 -10.936 -9.002 1.00 0.00 H new ATOM 0 HD3 PRO A 14 0.998 -10.713 -10.063 1.00 0.00 H new ATOM 204 N ALA A 15 1.547 -12.461 -5.869 1.00 0.00 N ATOM 205 CA ALA A 15 2.325 -12.862 -4.666 1.00 0.00 C ATOM 206 C ALA A 15 2.679 -11.615 -3.853 1.00 0.00 C ATOM 207 O ALA A 15 3.557 -10.855 -4.213 1.00 0.00 O ATOM 208 CB ALA A 15 3.608 -13.571 -5.102 1.00 0.00 C ATOM 0 H ALA A 15 1.559 -11.463 -6.078 1.00 0.00 H new ATOM 0 HA ALA A 15 1.729 -13.538 -4.053 1.00 0.00 H new ATOM 0 HB1 ALA A 15 4.179 -13.865 -4.221 1.00 0.00 H new ATOM 0 HB2 ALA A 15 3.354 -14.458 -5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 15 4.207 -12.896 -5.713 1.00 0.00 H new ATOM 214 N CYS A 16 2.004 -11.397 -2.757 1.00 0.00 N ATOM 215 CA CYS A 16 2.305 -10.198 -1.926 1.00 0.00 C ATOM 216 C CYS A 16 3.530 -10.475 -1.057 1.00 0.00 C ATOM 217 O CYS A 16 3.734 -11.579 -0.589 1.00 0.00 O ATOM 218 CB CYS A 16 1.107 -9.877 -1.028 1.00 0.00 C ATOM 219 SG CYS A 16 -0.241 -9.219 -2.039 1.00 0.00 S ATOM 0 H CYS A 16 1.259 -11.996 -2.402 1.00 0.00 H new ATOM 0 HA CYS A 16 2.504 -9.349 -2.579 1.00 0.00 H new ATOM 0 HB2 CYS A 16 0.779 -10.775 -0.505 1.00 0.00 H new ATOM 0 HB3 CYS A 16 1.393 -9.151 -0.267 1.00 0.00 H new ATOM 224 N THR A 17 4.342 -9.482 -0.831 1.00 0.00 N ATOM 225 CA THR A 17 5.549 -9.687 0.015 1.00 0.00 C ATOM 226 C THR A 17 5.117 -10.265 1.363 1.00 0.00 C ATOM 227 O THR A 17 3.980 -10.654 1.542 1.00 0.00 O ATOM 228 CB THR A 17 6.251 -8.346 0.233 1.00 0.00 C ATOM 229 OG1 THR A 17 5.275 -7.317 0.339 1.00 0.00 O ATOM 230 CG2 THR A 17 7.175 -8.055 -0.949 1.00 0.00 C ATOM 0 H THR A 17 4.222 -8.537 -1.196 1.00 0.00 H new ATOM 0 HA THR A 17 6.235 -10.376 -0.478 1.00 0.00 H new ATOM 0 HB THR A 17 6.840 -8.386 1.149 1.00 0.00 H new ATOM 0 HG1 THR A 17 5.721 -6.456 0.481 1.00 0.00 H new ATOM 0 HG21 THR A 17 7.675 -7.099 -0.793 1.00 0.00 H new ATOM 0 HG22 THR A 17 7.921 -8.846 -1.031 1.00 0.00 H new ATOM 0 HG23 THR A 17 6.589 -8.012 -1.867 1.00 0.00 H new ATOM 238 N LEU A 18 6.005 -10.325 2.314 1.00 0.00 N ATOM 239 CA LEU A 18 5.621 -10.881 3.641 1.00 0.00 C ATOM 240 C LEU A 18 5.886 -9.844 4.733 1.00 0.00 C ATOM 241 O LEU A 18 5.228 -9.828 5.754 1.00 0.00 O ATOM 242 CB LEU A 18 6.435 -12.146 3.926 1.00 0.00 C ATOM 243 CG LEU A 18 7.879 -11.763 4.260 1.00 0.00 C ATOM 244 CD1 LEU A 18 8.015 -11.542 5.768 1.00 0.00 C ATOM 245 CD2 LEU A 18 8.817 -12.891 3.823 1.00 0.00 C ATOM 0 H LEU A 18 6.974 -10.016 2.232 1.00 0.00 H new ATOM 0 HA LEU A 18 4.560 -11.129 3.631 1.00 0.00 H new ATOM 0 HB2 LEU A 18 5.993 -12.696 4.757 1.00 0.00 H new ATOM 0 HB3 LEU A 18 6.415 -12.807 3.059 1.00 0.00 H new ATOM 0 HG LEU A 18 8.142 -10.845 3.735 1.00 0.00 H new ATOM 0 HD11 LEU A 18 9.044 -11.269 6.004 1.00 0.00 H new ATOM 0 HD12 LEU A 18 7.346 -10.740 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 18 7.752 -12.459 6.295 1.00 0.00 H new ATOM 0 HD21 LEU A 18 9.846 -12.621 4.060 1.00 0.00 H new ATOM 0 HD22 LEU A 18 8.553 -13.808 4.349 1.00 0.00 H new ATOM 0 HD23 LEU A 18 8.721 -13.048 2.749 1.00 0.00 H new ATOM 257 N GLU A 19 6.840 -8.975 4.531 1.00 0.00 N ATOM 258 CA GLU A 19 7.132 -7.942 5.566 1.00 0.00 C ATOM 259 C GLU A 19 5.813 -7.359 6.066 1.00 0.00 C ATOM 260 O GLU A 19 5.000 -6.888 5.296 1.00 0.00 O ATOM 261 CB GLU A 19 7.992 -6.835 4.958 1.00 0.00 C ATOM 262 CG GLU A 19 9.392 -7.382 4.684 1.00 0.00 C ATOM 263 CD GLU A 19 9.738 -7.191 3.207 1.00 0.00 C ATOM 264 OE1 GLU A 19 9.208 -7.929 2.392 1.00 0.00 O ATOM 265 OE2 GLU A 19 10.529 -6.309 2.914 1.00 0.00 O ATOM 0 H GLU A 19 7.427 -8.936 3.698 1.00 0.00 H new ATOM 0 HA GLU A 19 7.673 -8.392 6.398 1.00 0.00 H new ATOM 0 HB2 GLU A 19 7.542 -6.474 4.033 1.00 0.00 H new ATOM 0 HB3 GLU A 19 8.047 -5.985 5.638 1.00 0.00 H new ATOM 0 HG2 GLU A 19 10.123 -6.868 5.308 1.00 0.00 H new ATOM 0 HG3 GLU A 19 9.438 -8.439 4.945 1.00 0.00 H new ATOM 272 N TYR A 20 5.580 -7.400 7.350 1.00 0.00 N ATOM 273 CA TYR A 20 4.298 -6.862 7.881 1.00 0.00 C ATOM 274 C TYR A 20 4.378 -5.344 8.020 1.00 0.00 C ATOM 275 O TYR A 20 4.568 -4.816 9.097 1.00 0.00 O ATOM 276 CB TYR A 20 3.993 -7.476 9.247 1.00 0.00 C ATOM 277 CG TYR A 20 2.620 -7.026 9.693 1.00 0.00 C ATOM 278 CD1 TYR A 20 1.558 -7.005 8.779 1.00 0.00 C ATOM 279 CD2 TYR A 20 2.408 -6.624 11.018 1.00 0.00 C ATOM 280 CE1 TYR A 20 0.288 -6.584 9.190 1.00 0.00 C ATOM 281 CE2 TYR A 20 1.137 -6.205 11.428 1.00 0.00 C ATOM 282 CZ TYR A 20 0.077 -6.184 10.514 1.00 0.00 C ATOM 283 OH TYR A 20 -1.176 -5.771 10.918 1.00 0.00 O ATOM 0 H TYR A 20 6.218 -7.780 8.049 1.00 0.00 H new ATOM 0 HA TYR A 20 3.503 -7.120 7.182 1.00 0.00 H new ATOM 0 HB2 TYR A 20 4.032 -8.564 9.188 1.00 0.00 H new ATOM 0 HB3 TYR A 20 4.745 -7.169 9.974 1.00 0.00 H new ATOM 0 HD1 TYR A 20 1.720 -7.314 7.757 1.00 0.00 H new ATOM 0 HD2 TYR A 20 3.226 -6.637 11.724 1.00 0.00 H new ATOM 0 HE1 TYR A 20 -0.530 -6.568 8.485 1.00 0.00 H new ATOM 0 HE2 TYR A 20 0.974 -5.898 12.450 1.00 0.00 H new ATOM 0 HH TYR A 20 -1.859 -6.233 10.389 1.00 0.00 H new ATOM 293 N ARG A 21 4.212 -4.639 6.940 1.00 0.00 N ATOM 294 CA ARG A 21 4.252 -3.155 7.002 1.00 0.00 C ATOM 295 C ARG A 21 2.865 -2.620 6.644 1.00 0.00 C ATOM 296 O ARG A 21 2.559 -2.420 5.488 1.00 0.00 O ATOM 297 CB ARG A 21 5.284 -2.630 6.003 1.00 0.00 C ATOM 298 CG ARG A 21 6.626 -3.316 6.258 1.00 0.00 C ATOM 299 CD ARG A 21 7.564 -2.348 6.981 1.00 0.00 C ATOM 300 NE ARG A 21 8.979 -2.694 6.664 1.00 0.00 N ATOM 301 CZ ARG A 21 9.915 -2.490 7.550 1.00 0.00 C ATOM 302 NH1 ARG A 21 9.800 -1.513 8.407 1.00 0.00 N ATOM 303 NH2 ARG A 21 10.963 -3.265 7.581 1.00 0.00 N ATOM 0 H ARG A 21 4.049 -5.029 6.012 1.00 0.00 H new ATOM 0 HA ARG A 21 4.531 -2.826 8.003 1.00 0.00 H new ATOM 0 HB2 ARG A 21 4.951 -2.823 4.983 1.00 0.00 H new ATOM 0 HB3 ARG A 21 5.389 -1.550 6.105 1.00 0.00 H new ATOM 0 HG2 ARG A 21 6.479 -4.214 6.858 1.00 0.00 H new ATOM 0 HG3 ARG A 21 7.070 -3.633 5.314 1.00 0.00 H new ATOM 0 HD2 ARG A 21 7.352 -1.323 6.675 1.00 0.00 H new ATOM 0 HD3 ARG A 21 7.398 -2.400 8.057 1.00 0.00 H new ATOM 0 HE ARG A 21 9.216 -3.090 5.754 1.00 0.00 H new ATOM 0 HH11 ARG A 21 8.979 -0.909 8.384 1.00 0.00 H new ATOM 0 HH12 ARG A 21 10.532 -1.353 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 21 11.051 -4.031 6.913 1.00 0.00 H new ATOM 0 HH22 ARG A 21 11.695 -3.106 8.273 1.00 0.00 H new ATOM 317 N PRO A 22 2.060 -2.415 7.652 1.00 0.00 N ATOM 318 CA PRO A 22 0.685 -1.923 7.469 1.00 0.00 C ATOM 319 C PRO A 22 0.681 -0.479 6.981 1.00 0.00 C ATOM 320 O PRO A 22 1.014 0.432 7.708 1.00 0.00 O ATOM 321 CB PRO A 22 0.058 -2.062 8.864 1.00 0.00 C ATOM 322 CG PRO A 22 1.234 -2.126 9.865 1.00 0.00 C ATOM 323 CD PRO A 22 2.453 -2.618 9.062 1.00 0.00 C ATOM 0 HA PRO A 22 0.130 -2.478 6.713 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -0.593 -1.216 9.083 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -0.555 -2.961 8.927 1.00 0.00 H new ATOM 0 HG2 PRO A 22 1.426 -1.147 10.304 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.009 -2.805 10.687 1.00 0.00 H new ATOM 0 HD2 PRO A 22 3.350 -2.051 9.312 1.00 0.00 H new ATOM 0 HD3 PRO A 22 2.670 -3.666 9.269 1.00 0.00 H new ATOM 331 N LEU A 23 0.305 -0.258 5.748 1.00 0.00 N ATOM 332 CA LEU A 23 0.285 1.129 5.225 1.00 0.00 C ATOM 333 C LEU A 23 -1.141 1.660 5.308 1.00 0.00 C ATOM 334 O LEU A 23 -2.092 0.982 4.966 1.00 0.00 O ATOM 335 CB LEU A 23 0.762 1.117 3.777 1.00 0.00 C ATOM 336 CG LEU A 23 2.027 0.267 3.688 1.00 0.00 C ATOM 337 CD1 LEU A 23 1.816 -0.863 2.680 1.00 0.00 C ATOM 338 CD2 LEU A 23 3.196 1.143 3.243 1.00 0.00 C ATOM 0 H LEU A 23 0.013 -0.978 5.088 1.00 0.00 H new ATOM 0 HA LEU A 23 0.943 1.771 5.811 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -0.013 0.711 3.127 1.00 0.00 H new ATOM 0 HB3 LEU A 23 0.964 2.133 3.437 1.00 0.00 H new ATOM 0 HG LEU A 23 2.247 -0.162 4.666 1.00 0.00 H new ATOM 0 HD11 LEU A 23 2.720 -1.469 2.618 1.00 0.00 H new ATOM 0 HD12 LEU A 23 0.983 -1.487 3.002 1.00 0.00 H new ATOM 0 HD13 LEU A 23 1.595 -0.440 1.700 1.00 0.00 H new ATOM 0 HD21 LEU A 23 4.100 0.538 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 23 2.977 1.573 2.266 1.00 0.00 H new ATOM 0 HD23 LEU A 23 3.346 1.944 3.966 1.00 0.00 H new ATOM 350 N CYS A 24 -1.302 2.860 5.785 1.00 0.00 N ATOM 351 CA CYS A 24 -2.672 3.420 5.916 1.00 0.00 C ATOM 352 C CYS A 24 -2.947 4.411 4.793 1.00 0.00 C ATOM 353 O CYS A 24 -2.252 5.392 4.624 1.00 0.00 O ATOM 354 CB CYS A 24 -2.818 4.098 7.277 1.00 0.00 C ATOM 355 SG CYS A 24 -3.127 2.828 8.498 1.00 0.00 S ATOM 0 H CYS A 24 -0.547 3.475 6.089 1.00 0.00 H new ATOM 0 HA CYS A 24 -3.399 2.612 5.842 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.913 4.653 7.525 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -3.638 4.816 7.259 1.00 0.00 H new ATOM 360 N GLY A 25 -3.968 4.155 4.027 1.00 0.00 N ATOM 361 CA GLY A 25 -4.316 5.065 2.910 1.00 0.00 C ATOM 362 C GLY A 25 -4.502 6.481 3.456 1.00 0.00 C ATOM 363 O GLY A 25 -4.230 6.746 4.610 1.00 0.00 O ATOM 0 H GLY A 25 -4.580 3.346 4.130 1.00 0.00 H new ATOM 0 HA2 GLY A 25 -3.529 5.053 2.156 1.00 0.00 H new ATOM 0 HA3 GLY A 25 -5.230 4.728 2.421 1.00 0.00 H new ATOM 367 N SER A 26 -4.993 7.390 2.659 1.00 0.00 N ATOM 368 CA SER A 26 -5.215 8.767 3.187 1.00 0.00 C ATOM 369 C SER A 26 -6.631 8.841 3.769 1.00 0.00 C ATOM 370 O SER A 26 -7.144 9.904 4.055 1.00 0.00 O ATOM 371 CB SER A 26 -5.073 9.779 2.054 1.00 0.00 C ATOM 372 OG SER A 26 -5.300 9.126 0.823 1.00 0.00 O ATOM 0 H SER A 26 -5.246 7.244 1.682 1.00 0.00 H new ATOM 0 HA SER A 26 -4.480 8.995 3.959 1.00 0.00 H new ATOM 0 HB2 SER A 26 -5.786 10.593 2.185 1.00 0.00 H new ATOM 0 HB3 SER A 26 -4.077 10.222 2.067 1.00 0.00 H new ATOM 0 HG SER A 26 -6.253 8.915 0.735 1.00 0.00 H new ATOM 378 N ASP A 27 -7.264 7.706 3.943 1.00 0.00 N ATOM 379 CA ASP A 27 -8.645 7.690 4.504 1.00 0.00 C ATOM 380 C ASP A 27 -8.678 6.819 5.765 1.00 0.00 C ATOM 381 O ASP A 27 -9.714 6.645 6.375 1.00 0.00 O ATOM 382 CB ASP A 27 -9.611 7.118 3.464 1.00 0.00 C ATOM 383 CG ASP A 27 -9.383 5.611 3.325 1.00 0.00 C ATOM 384 OD1 ASP A 27 -9.617 4.903 4.290 1.00 0.00 O ATOM 385 OD2 ASP A 27 -8.979 5.190 2.253 1.00 0.00 O ATOM 0 H ASP A 27 -6.879 6.788 3.719 1.00 0.00 H new ATOM 0 HA ASP A 27 -8.944 8.707 4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -10.641 7.314 3.763 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -9.459 7.609 2.503 1.00 0.00 H new ATOM 390 N ASN A 28 -7.546 6.277 6.155 1.00 0.00 N ATOM 391 CA ASN A 28 -7.475 5.419 7.381 1.00 0.00 C ATOM 392 C ASN A 28 -7.761 3.950 7.039 1.00 0.00 C ATOM 393 O ASN A 28 -8.346 3.227 7.821 1.00 0.00 O ATOM 394 CB ASN A 28 -8.482 5.904 8.429 1.00 0.00 C ATOM 395 CG ASN A 28 -8.115 5.327 9.798 1.00 0.00 C ATOM 396 OD1 ASN A 28 -8.304 4.153 10.046 1.00 0.00 O ATOM 397 ND2 ASN A 28 -7.596 6.110 10.705 1.00 0.00 N ATOM 0 H ASN A 28 -6.657 6.395 5.668 1.00 0.00 H new ATOM 0 HA ASN A 28 -6.466 5.496 7.786 1.00 0.00 H new ATOM 0 HB2 ASN A 28 -8.483 6.993 8.470 1.00 0.00 H new ATOM 0 HB3 ASN A 28 -9.489 5.595 8.151 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -7.349 5.736 11.621 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -7.437 7.096 10.497 1.00 0.00 H new ATOM 404 N LYS A 29 -7.328 3.493 5.894 1.00 0.00 N ATOM 405 CA LYS A 29 -7.548 2.061 5.532 1.00 0.00 C ATOM 406 C LYS A 29 -6.233 1.313 5.760 1.00 0.00 C ATOM 407 O LYS A 29 -5.185 1.776 5.368 1.00 0.00 O ATOM 408 CB LYS A 29 -7.957 1.953 4.063 1.00 0.00 C ATOM 409 CG LYS A 29 -8.718 0.645 3.845 1.00 0.00 C ATOM 410 CD LYS A 29 -10.194 0.949 3.581 1.00 0.00 C ATOM 411 CE LYS A 29 -10.971 -0.362 3.453 1.00 0.00 C ATOM 412 NZ LYS A 29 -12.314 -0.205 4.078 1.00 0.00 N ATOM 0 H LYS A 29 -6.833 4.047 5.195 1.00 0.00 H new ATOM 0 HA LYS A 29 -8.342 1.632 6.144 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -8.582 2.801 3.784 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -7.074 1.984 3.425 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -8.292 0.101 3.002 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -8.619 0.004 4.721 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -10.604 1.549 4.394 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -10.298 1.536 2.668 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -11.076 -0.634 2.403 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -10.424 -1.170 3.938 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -12.843 -1.096 3.992 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -12.203 0.036 5.084 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -12.835 0.555 3.596 1.00 0.00 H new ATOM 426 N THR A 30 -6.259 0.181 6.410 1.00 0.00 N ATOM 427 CA THR A 30 -4.977 -0.540 6.670 1.00 0.00 C ATOM 428 C THR A 30 -4.765 -1.691 5.686 1.00 0.00 C ATOM 429 O THR A 30 -5.649 -2.482 5.423 1.00 0.00 O ATOM 430 CB THR A 30 -4.981 -1.103 8.093 1.00 0.00 C ATOM 431 OG1 THR A 30 -5.077 -0.034 9.023 1.00 0.00 O ATOM 432 CG2 THR A 30 -3.684 -1.884 8.339 1.00 0.00 C ATOM 0 H THR A 30 -7.100 -0.272 6.769 1.00 0.00 H new ATOM 0 HA THR A 30 -4.166 0.177 6.544 1.00 0.00 H new ATOM 0 HB THR A 30 -5.833 -1.771 8.218 1.00 0.00 H new ATOM 0 HG1 THR A 30 -4.839 0.807 8.580 1.00 0.00 H new ATOM 0 HG21 THR A 30 -3.687 -2.285 9.353 1.00 0.00 H new ATOM 0 HG22 THR A 30 -3.612 -2.704 7.625 1.00 0.00 H new ATOM 0 HG23 THR A 30 -2.830 -1.219 8.215 1.00 0.00 H new ATOM 440 N TYR A 31 -3.569 -1.800 5.177 1.00 0.00 N ATOM 441 CA TYR A 31 -3.230 -2.907 4.242 1.00 0.00 C ATOM 442 C TYR A 31 -2.030 -3.647 4.832 1.00 0.00 C ATOM 443 O TYR A 31 -1.023 -3.049 5.149 1.00 0.00 O ATOM 444 CB TYR A 31 -2.895 -2.329 2.867 1.00 0.00 C ATOM 445 CG TYR A 31 -4.176 -1.881 2.198 1.00 0.00 C ATOM 446 CD1 TYR A 31 -4.748 -0.647 2.535 1.00 0.00 C ATOM 447 CD2 TYR A 31 -4.794 -2.698 1.243 1.00 0.00 C ATOM 448 CE1 TYR A 31 -5.935 -0.232 1.919 1.00 0.00 C ATOM 449 CE2 TYR A 31 -5.981 -2.282 0.627 1.00 0.00 C ATOM 450 CZ TYR A 31 -6.551 -1.049 0.964 1.00 0.00 C ATOM 451 OH TYR A 31 -7.720 -0.640 0.357 1.00 0.00 O ATOM 0 H TYR A 31 -2.801 -1.158 5.373 1.00 0.00 H new ATOM 0 HA TYR A 31 -4.067 -3.594 4.118 1.00 0.00 H new ATOM 0 HB2 TYR A 31 -2.209 -1.488 2.969 1.00 0.00 H new ATOM 0 HB3 TYR A 31 -2.392 -3.078 2.255 1.00 0.00 H new ATOM 0 HD1 TYR A 31 -4.273 -0.015 3.271 1.00 0.00 H new ATOM 0 HD2 TYR A 31 -4.355 -3.649 0.981 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -6.375 0.719 2.181 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -6.457 -2.913 -0.109 1.00 0.00 H new ATOM 0 HH TYR A 31 -8.014 -1.324 -0.281 1.00 0.00 H new ATOM 461 N GLY A 32 -2.149 -4.936 5.023 1.00 0.00 N ATOM 462 CA GLY A 32 -1.041 -5.722 5.643 1.00 0.00 C ATOM 463 C GLY A 32 0.324 -5.187 5.216 1.00 0.00 C ATOM 464 O GLY A 32 1.121 -4.782 6.040 1.00 0.00 O ATOM 0 H GLY A 32 -2.974 -5.482 4.774 1.00 0.00 H new ATOM 0 HA2 GLY A 32 -1.127 -5.681 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 32 -1.130 -6.770 5.355 1.00 0.00 H new ATOM 468 N ASN A 33 0.609 -5.172 3.945 1.00 0.00 N ATOM 469 CA ASN A 33 1.937 -4.652 3.508 1.00 0.00 C ATOM 470 C ASN A 33 1.780 -3.787 2.268 1.00 0.00 C ATOM 471 O ASN A 33 0.715 -3.289 1.969 1.00 0.00 O ATOM 472 CB ASN A 33 2.904 -5.807 3.223 1.00 0.00 C ATOM 473 CG ASN A 33 2.346 -6.721 2.133 1.00 0.00 C ATOM 474 OD1 ASN A 33 1.359 -6.404 1.498 1.00 0.00 O ATOM 475 ND2 ASN A 33 2.950 -7.853 1.890 1.00 0.00 N ATOM 0 H ASN A 33 -0.008 -5.492 3.198 1.00 0.00 H new ATOM 0 HA ASN A 33 2.350 -4.046 4.314 1.00 0.00 H new ATOM 0 HB2 ASN A 33 3.871 -5.411 2.913 1.00 0.00 H new ATOM 0 HB3 ASN A 33 3.072 -6.380 4.135 1.00 0.00 H new ATOM 0 HD21 ASN A 33 2.594 -8.476 1.165 1.00 0.00 H new ATOM 0 HD22 ASN A 33 3.778 -8.115 2.425 1.00 0.00 H new ATOM 482 N LYS A 34 2.849 -3.584 1.561 1.00 0.00 N ATOM 483 CA LYS A 34 2.806 -2.735 0.362 1.00 0.00 C ATOM 484 C LYS A 34 2.032 -3.423 -0.763 1.00 0.00 C ATOM 485 O LYS A 34 1.439 -2.772 -1.592 1.00 0.00 O ATOM 486 CB LYS A 34 4.234 -2.497 -0.078 1.00 0.00 C ATOM 487 CG LYS A 34 4.901 -3.840 -0.334 1.00 0.00 C ATOM 488 CD LYS A 34 5.055 -4.051 -1.840 1.00 0.00 C ATOM 489 CE LYS A 34 6.281 -4.922 -2.114 1.00 0.00 C ATOM 490 NZ LYS A 34 7.260 -4.157 -2.937 1.00 0.00 N ATOM 0 H LYS A 34 3.764 -3.981 1.773 1.00 0.00 H new ATOM 0 HA LYS A 34 2.302 -1.796 0.590 1.00 0.00 H new ATOM 0 HB2 LYS A 34 4.253 -1.888 -0.982 1.00 0.00 H new ATOM 0 HB3 LYS A 34 4.778 -1.946 0.689 1.00 0.00 H new ATOM 0 HG2 LYS A 34 5.877 -3.872 0.151 1.00 0.00 H new ATOM 0 HG3 LYS A 34 4.304 -4.643 0.098 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.161 -4.526 -2.244 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.160 -3.090 -2.343 1.00 0.00 H new ATOM 0 HE2 LYS A 34 6.740 -5.228 -1.174 1.00 0.00 H new ATOM 0 HE3 LYS A 34 5.985 -5.832 -2.635 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 8.094 -4.749 -3.124 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 6.819 -3.886 -3.839 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 7.551 -3.301 -2.423 1.00 0.00 H new ATOM 504 N CYS A 35 2.038 -4.728 -0.813 1.00 0.00 N ATOM 505 CA CYS A 35 1.299 -5.421 -1.900 1.00 0.00 C ATOM 506 C CYS A 35 -0.204 -5.291 -1.658 1.00 0.00 C ATOM 507 O CYS A 35 -0.987 -5.237 -2.584 1.00 0.00 O ATOM 508 CB CYS A 35 1.688 -6.899 -1.932 1.00 0.00 C ATOM 509 SG CYS A 35 0.640 -7.765 -3.127 1.00 0.00 S ATOM 0 H CYS A 35 2.520 -5.338 -0.152 1.00 0.00 H new ATOM 0 HA CYS A 35 1.554 -4.964 -2.856 1.00 0.00 H new ATOM 0 HB2 CYS A 35 2.737 -7.005 -2.207 1.00 0.00 H new ATOM 0 HB3 CYS A 35 1.571 -7.339 -0.942 1.00 0.00 H new ATOM 514 N ASN A 36 -0.615 -5.229 -0.423 1.00 0.00 N ATOM 515 CA ASN A 36 -2.068 -5.083 -0.132 1.00 0.00 C ATOM 516 C ASN A 36 -2.455 -3.619 -0.339 1.00 0.00 C ATOM 517 O ASN A 36 -3.450 -3.305 -0.963 1.00 0.00 O ATOM 518 CB ASN A 36 -2.342 -5.490 1.319 1.00 0.00 C ATOM 519 CG ASN A 36 -2.568 -7.002 1.392 1.00 0.00 C ATOM 520 OD1 ASN A 36 -3.694 -7.457 1.432 1.00 0.00 O ATOM 521 ND2 ASN A 36 -1.539 -7.804 1.414 1.00 0.00 N ATOM 0 H ASN A 36 -0.009 -5.273 0.396 1.00 0.00 H new ATOM 0 HA ASN A 36 -2.652 -5.722 -0.795 1.00 0.00 H new ATOM 0 HB2 ASN A 36 -1.501 -5.206 1.952 1.00 0.00 H new ATOM 0 HB3 ASN A 36 -3.218 -4.962 1.697 1.00 0.00 H new ATOM 0 HD21 ASN A 36 -1.680 -8.813 1.465 1.00 0.00 H new ATOM 0 HD22 ASN A 36 -0.594 -7.422 1.380 1.00 0.00 H new ATOM 528 N PHE A 37 -1.659 -2.725 0.173 1.00 0.00 N ATOM 529 CA PHE A 37 -1.937 -1.270 0.013 1.00 0.00 C ATOM 530 C PHE A 37 -1.822 -0.899 -1.435 1.00 0.00 C ATOM 531 O PHE A 37 -2.434 0.028 -1.928 1.00 0.00 O ATOM 532 CB PHE A 37 -0.892 -0.485 0.781 1.00 0.00 C ATOM 533 CG PHE A 37 -1.306 0.952 0.807 1.00 0.00 C ATOM 534 CD1 PHE A 37 -2.360 1.399 1.597 1.00 0.00 C ATOM 535 CD2 PHE A 37 -0.628 1.832 -0.027 1.00 0.00 C ATOM 536 CE1 PHE A 37 -2.737 2.742 1.551 1.00 0.00 C ATOM 537 CE2 PHE A 37 -0.991 3.172 -0.079 1.00 0.00 C ATOM 538 CZ PHE A 37 -2.051 3.636 0.710 1.00 0.00 C ATOM 0 H PHE A 37 -0.815 -2.943 0.703 1.00 0.00 H new ATOM 0 HA PHE A 37 -2.938 -1.048 0.383 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.798 -0.871 1.796 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.085 -0.590 0.308 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.884 0.710 2.243 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.186 1.472 -0.639 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -3.555 3.094 2.161 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -0.458 3.853 -0.725 1.00 0.00 H new ATOM 0 HZ PHE A 37 -2.340 4.676 0.673 1.00 0.00 H new ATOM 548 N CYS A 38 -1.010 -1.617 -2.097 1.00 0.00 N ATOM 549 CA CYS A 38 -0.779 -1.338 -3.538 1.00 0.00 C ATOM 550 C CYS A 38 -1.981 -1.818 -4.347 1.00 0.00 C ATOM 551 O CYS A 38 -2.584 -1.058 -5.068 1.00 0.00 O ATOM 552 CB CYS A 38 0.476 -2.057 -4.027 1.00 0.00 C ATOM 553 SG CYS A 38 1.913 -0.987 -3.781 1.00 0.00 S ATOM 0 H CYS A 38 -0.480 -2.400 -1.715 1.00 0.00 H new ATOM 0 HA CYS A 38 -0.646 -0.264 -3.670 1.00 0.00 H new ATOM 0 HB2 CYS A 38 0.608 -2.993 -3.484 1.00 0.00 H new ATOM 0 HB3 CYS A 38 0.375 -2.312 -5.082 1.00 0.00 H new ATOM 558 N ASN A 39 -2.333 -3.071 -4.235 1.00 0.00 N ATOM 559 CA ASN A 39 -3.502 -3.587 -5.005 1.00 0.00 C ATOM 560 C ASN A 39 -4.621 -2.549 -4.962 1.00 0.00 C ATOM 561 O ASN A 39 -5.371 -2.389 -5.904 1.00 0.00 O ATOM 562 CB ASN A 39 -4.000 -4.893 -4.380 1.00 0.00 C ATOM 563 CG ASN A 39 -2.937 -5.979 -4.536 1.00 0.00 C ATOM 564 OD1 ASN A 39 -2.204 -5.994 -5.503 1.00 0.00 O ATOM 565 ND2 ASN A 39 -2.826 -6.899 -3.617 1.00 0.00 N ATOM 0 H ASN A 39 -1.863 -3.758 -3.645 1.00 0.00 H new ATOM 0 HA ASN A 39 -3.205 -3.774 -6.037 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -4.224 -4.740 -3.324 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -4.927 -5.207 -4.860 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -2.123 -7.632 -3.711 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -3.443 -6.885 -2.805 1.00 0.00 H new ATOM 572 N ALA A 40 -4.727 -1.827 -3.881 1.00 0.00 N ATOM 573 CA ALA A 40 -5.782 -0.785 -3.791 1.00 0.00 C ATOM 574 C ALA A 40 -5.363 0.394 -4.668 1.00 0.00 C ATOM 575 O ALA A 40 -6.134 0.908 -5.455 1.00 0.00 O ATOM 576 CB ALA A 40 -5.926 -0.323 -2.339 1.00 0.00 C ATOM 0 H ALA A 40 -4.129 -1.915 -3.059 1.00 0.00 H new ATOM 0 HA ALA A 40 -6.738 -1.185 -4.128 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -6.700 0.441 -2.276 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -6.201 -1.172 -1.713 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -4.979 0.091 -1.993 1.00 0.00 H new ATOM 582 N VAL A 41 -4.135 0.811 -4.540 1.00 0.00 N ATOM 583 CA VAL A 41 -3.631 1.944 -5.362 1.00 0.00 C ATOM 584 C VAL A 41 -3.918 1.671 -6.839 1.00 0.00 C ATOM 585 O VAL A 41 -4.525 2.468 -7.527 1.00 0.00 O ATOM 586 CB VAL A 41 -2.119 2.060 -5.167 1.00 0.00 C ATOM 587 CG1 VAL A 41 -1.559 3.093 -6.146 1.00 0.00 C ATOM 588 CG2 VAL A 41 -1.820 2.485 -3.725 1.00 0.00 C ATOM 0 H VAL A 41 -3.453 0.411 -3.895 1.00 0.00 H new ATOM 0 HA VAL A 41 -4.125 2.867 -5.057 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.648 1.095 -5.357 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -0.481 3.177 -6.009 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -1.771 2.778 -7.168 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.025 4.061 -5.960 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -0.742 2.568 -3.586 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.287 3.450 -3.526 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.219 1.740 -3.036 1.00 0.00 H new ATOM 598 N VAL A 42 -3.468 0.550 -7.327 1.00 0.00 N ATOM 599 CA VAL A 42 -3.677 0.197 -8.745 1.00 0.00 C ATOM 600 C VAL A 42 -5.168 -0.033 -9.026 1.00 0.00 C ATOM 601 O VAL A 42 -5.628 0.146 -10.137 1.00 0.00 O ATOM 602 CB VAL A 42 -2.881 -1.074 -9.036 1.00 0.00 C ATOM 603 CG1 VAL A 42 -3.152 -2.121 -7.955 1.00 0.00 C ATOM 604 CG2 VAL A 42 -3.292 -1.621 -10.393 1.00 0.00 C ATOM 0 H VAL A 42 -2.955 -0.146 -6.786 1.00 0.00 H new ATOM 0 HA VAL A 42 -3.339 1.010 -9.388 1.00 0.00 H new ATOM 0 HB VAL A 42 -1.816 -0.840 -9.041 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -2.580 -3.023 -8.171 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -2.854 -1.727 -6.984 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -4.215 -2.360 -7.939 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -2.727 -2.528 -10.606 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -4.358 -1.851 -10.385 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -3.087 -0.877 -11.163 1.00 0.00 H new ATOM 614 N GLU A 43 -5.935 -0.414 -8.036 1.00 0.00 N ATOM 615 CA GLU A 43 -7.393 -0.630 -8.276 1.00 0.00 C ATOM 616 C GLU A 43 -8.142 0.669 -7.980 1.00 0.00 C ATOM 617 O GLU A 43 -9.356 0.711 -7.981 1.00 0.00 O ATOM 618 CB GLU A 43 -7.926 -1.744 -7.368 1.00 0.00 C ATOM 619 CG GLU A 43 -8.949 -2.580 -8.139 1.00 0.00 C ATOM 620 CD GLU A 43 -10.260 -2.643 -7.353 1.00 0.00 C ATOM 621 OE1 GLU A 43 -10.815 -1.592 -7.081 1.00 0.00 O ATOM 622 OE2 GLU A 43 -10.687 -3.741 -7.036 1.00 0.00 O ATOM 0 H GLU A 43 -5.618 -0.583 -7.081 1.00 0.00 H new ATOM 0 HA GLU A 43 -7.545 -0.924 -9.315 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -7.105 -2.376 -7.028 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -8.387 -1.314 -6.479 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -9.124 -2.143 -9.122 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -8.562 -3.586 -8.302 1.00 0.00 H new ATOM 629 N SER A 44 -7.427 1.728 -7.715 1.00 0.00 N ATOM 630 CA SER A 44 -8.100 3.020 -7.407 1.00 0.00 C ATOM 631 C SER A 44 -7.542 4.119 -8.312 1.00 0.00 C ATOM 632 O SER A 44 -7.956 5.259 -8.243 1.00 0.00 O ATOM 633 CB SER A 44 -7.841 3.386 -5.944 1.00 0.00 C ATOM 634 OG SER A 44 -6.441 3.377 -5.702 1.00 0.00 O ATOM 0 H SER A 44 -6.407 1.754 -7.699 1.00 0.00 H new ATOM 0 HA SER A 44 -9.172 2.922 -7.578 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.254 4.370 -5.724 1.00 0.00 H new ATOM 0 HB3 SER A 44 -8.341 2.676 -5.285 1.00 0.00 H new ATOM 0 HG SER A 44 -6.115 2.453 -5.703 1.00 0.00 H new ATOM 640 N ASN A 45 -6.599 3.792 -9.151 1.00 0.00 N ATOM 641 CA ASN A 45 -6.012 4.825 -10.046 1.00 0.00 C ATOM 642 C ASN A 45 -5.137 5.763 -9.213 1.00 0.00 C ATOM 643 O ASN A 45 -4.752 6.827 -9.655 1.00 0.00 O ATOM 644 CB ASN A 45 -7.131 5.632 -10.713 1.00 0.00 C ATOM 645 CG ASN A 45 -7.085 5.413 -12.224 1.00 0.00 C ATOM 646 OD1 ASN A 45 -6.948 6.353 -12.982 1.00 0.00 O ATOM 647 ND2 ASN A 45 -7.196 4.204 -12.696 1.00 0.00 N ATOM 0 H ASN A 45 -6.210 2.855 -9.255 1.00 0.00 H new ATOM 0 HA ASN A 45 -5.412 4.342 -10.817 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -8.100 5.325 -10.319 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -7.016 6.692 -10.485 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -7.168 4.045 -13.703 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -7.311 3.416 -12.058 1.00 0.00 H new ATOM 654 N GLY A 46 -4.823 5.374 -8.006 1.00 0.00 N ATOM 655 CA GLY A 46 -3.976 6.236 -7.137 1.00 0.00 C ATOM 656 C GLY A 46 -4.857 7.224 -6.371 1.00 0.00 C ATOM 657 O GLY A 46 -4.379 8.181 -5.796 1.00 0.00 O ATOM 0 H GLY A 46 -5.119 4.493 -7.585 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.412 5.620 -6.437 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -3.249 6.777 -7.743 1.00 0.00 H new ATOM 661 N THR A 47 -6.142 6.991 -6.349 1.00 0.00 N ATOM 662 CA THR A 47 -7.053 7.908 -5.609 1.00 0.00 C ATOM 663 C THR A 47 -6.999 7.569 -4.116 1.00 0.00 C ATOM 664 O THR A 47 -7.534 8.276 -3.285 1.00 0.00 O ATOM 665 CB THR A 47 -8.483 7.733 -6.125 1.00 0.00 C ATOM 666 OG1 THR A 47 -8.967 6.453 -5.748 1.00 0.00 O ATOM 667 CG2 THR A 47 -8.492 7.854 -7.650 1.00 0.00 C ATOM 0 H THR A 47 -6.599 6.205 -6.812 1.00 0.00 H new ATOM 0 HA THR A 47 -6.741 8.941 -5.762 1.00 0.00 H new ATOM 0 HB THR A 47 -9.123 8.504 -5.696 1.00 0.00 H new ATOM 0 HG1 THR A 47 -9.883 6.340 -6.076 1.00 0.00 H new ATOM 0 HG21 THR A 47 -9.510 7.729 -8.019 1.00 0.00 H new ATOM 0 HG22 THR A 47 -8.119 8.836 -7.939 1.00 0.00 H new ATOM 0 HG23 THR A 47 -7.853 7.082 -8.080 1.00 0.00 H new ATOM 675 N LEU A 48 -6.345 6.491 -3.772 1.00 0.00 N ATOM 676 CA LEU A 48 -6.235 6.095 -2.344 1.00 0.00 C ATOM 677 C LEU A 48 -5.138 6.936 -1.691 1.00 0.00 C ATOM 678 O LEU A 48 -5.402 7.923 -1.047 1.00 0.00 O ATOM 679 CB LEU A 48 -5.889 4.599 -2.288 1.00 0.00 C ATOM 680 CG LEU A 48 -5.211 4.237 -0.965 1.00 0.00 C ATOM 681 CD1 LEU A 48 -6.005 4.817 0.203 1.00 0.00 C ATOM 682 CD2 LEU A 48 -5.162 2.714 -0.834 1.00 0.00 C ATOM 0 H LEU A 48 -5.879 5.864 -4.428 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.169 6.264 -1.809 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.797 4.008 -2.408 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.231 4.344 -3.119 1.00 0.00 H new ATOM 0 HG LEU A 48 -4.202 4.648 -0.950 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -5.516 4.555 1.141 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -6.051 5.902 0.109 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.016 4.409 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -4.680 2.445 0.106 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -6.176 2.315 -0.849 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.595 2.295 -1.665 1.00 0.00 H new ATOM 694 N THR A 49 -3.914 6.548 -1.872 1.00 0.00 N ATOM 695 CA THR A 49 -2.753 7.282 -1.296 1.00 0.00 C ATOM 696 C THR A 49 -2.699 6.998 0.192 1.00 0.00 C ATOM 697 O THR A 49 -3.653 6.548 0.767 1.00 0.00 O ATOM 698 CB THR A 49 -2.863 8.796 -1.529 1.00 0.00 C ATOM 699 OG1 THR A 49 -3.331 9.425 -0.346 1.00 0.00 O ATOM 700 CG2 THR A 49 -3.815 9.112 -2.684 1.00 0.00 C ATOM 0 H THR A 49 -3.658 5.723 -2.414 1.00 0.00 H new ATOM 0 HA THR A 49 -1.843 6.941 -1.790 1.00 0.00 H new ATOM 0 HB THR A 49 -1.874 9.174 -1.788 1.00 0.00 H new ATOM 0 HG1 THR A 49 -4.227 9.091 -0.130 1.00 0.00 H new ATOM 0 HG21 THR A 49 -3.872 10.191 -2.824 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.446 8.646 -3.598 1.00 0.00 H new ATOM 0 HG23 THR A 49 -4.807 8.724 -2.454 1.00 0.00 H new ATOM 708 N LEU A 50 -1.591 7.223 0.823 1.00 0.00 N ATOM 709 CA LEU A 50 -1.511 6.934 2.262 1.00 0.00 C ATOM 710 C LEU A 50 -1.210 8.224 3.023 1.00 0.00 C ATOM 711 O LEU A 50 -0.739 9.196 2.467 1.00 0.00 O ATOM 712 CB LEU A 50 -0.439 5.852 2.443 1.00 0.00 C ATOM 713 CG LEU A 50 0.565 6.196 3.533 1.00 0.00 C ATOM 714 CD1 LEU A 50 0.980 4.896 4.187 1.00 0.00 C ATOM 715 CD2 LEU A 50 1.788 6.874 2.909 1.00 0.00 C ATOM 0 H LEU A 50 -0.740 7.594 0.401 1.00 0.00 H new ATOM 0 HA LEU A 50 -2.451 6.559 2.667 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -0.922 4.905 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 50 0.089 5.709 1.500 1.00 0.00 H new ATOM 0 HG LEU A 50 0.128 6.876 4.265 1.00 0.00 H new ATOM 0 HD11 LEU A 50 1.702 5.101 4.977 1.00 0.00 H new ATOM 0 HD12 LEU A 50 0.104 4.407 4.614 1.00 0.00 H new ATOM 0 HD13 LEU A 50 1.433 4.242 3.442 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.506 7.120 3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.251 6.198 2.190 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.478 7.787 2.401 1.00 0.00 H new ATOM 727 N SER A 51 -1.499 8.237 4.291 1.00 0.00 N ATOM 728 CA SER A 51 -1.260 9.448 5.101 1.00 0.00 C ATOM 729 C SER A 51 -0.193 9.129 6.142 1.00 0.00 C ATOM 730 O SER A 51 0.461 10.007 6.672 1.00 0.00 O ATOM 731 CB SER A 51 -2.559 9.843 5.808 1.00 0.00 C ATOM 732 OG SER A 51 -2.942 11.149 5.402 1.00 0.00 O ATOM 0 H SER A 51 -1.895 7.448 4.802 1.00 0.00 H new ATOM 0 HA SER A 51 -0.929 10.270 4.466 1.00 0.00 H new ATOM 0 HB2 SER A 51 -3.348 9.130 5.567 1.00 0.00 H new ATOM 0 HB3 SER A 51 -2.421 9.813 6.889 1.00 0.00 H new ATOM 0 HG SER A 51 -3.775 11.401 5.853 1.00 0.00 H new ATOM 738 N HIS A 52 -0.017 7.873 6.441 1.00 0.00 N ATOM 739 CA HIS A 52 1.000 7.488 7.454 1.00 0.00 C ATOM 740 C HIS A 52 1.249 5.980 7.388 1.00 0.00 C ATOM 741 O HIS A 52 0.339 5.201 7.183 1.00 0.00 O ATOM 742 CB HIS A 52 0.475 7.849 8.845 1.00 0.00 C ATOM 743 CG HIS A 52 -0.650 6.917 9.207 1.00 0.00 C ATOM 744 ND1 HIS A 52 -0.561 6.036 10.272 1.00 0.00 N ATOM 745 CD2 HIS A 52 -1.889 6.702 8.645 1.00 0.00 C ATOM 746 CE1 HIS A 52 -1.708 5.336 10.317 1.00 0.00 C ATOM 747 NE2 HIS A 52 -2.553 5.705 9.351 1.00 0.00 N ATOM 0 H HIS A 52 -0.534 7.097 6.027 1.00 0.00 H new ATOM 0 HA HIS A 52 1.932 8.017 7.255 1.00 0.00 H new ATOM 0 HB2 HIS A 52 1.276 7.774 9.580 1.00 0.00 H new ATOM 0 HB3 HIS A 52 0.126 8.882 8.858 1.00 0.00 H new ATOM 0 HD1 HIS A 52 0.231 5.936 10.907 1.00 0.00 H new ATOM 0 HD2 HIS A 52 -2.284 7.227 7.788 1.00 0.00 H new ATOM 0 HE1 HIS A 52 -1.920 4.568 11.046 1.00 0.00 H new ATOM 755 N PHE A 53 2.469 5.556 7.574 1.00 0.00 N ATOM 756 CA PHE A 53 2.754 4.098 7.538 1.00 0.00 C ATOM 757 C PHE A 53 2.226 3.465 8.827 1.00 0.00 C ATOM 758 O PHE A 53 1.763 4.152 9.716 1.00 0.00 O ATOM 759 CB PHE A 53 4.262 3.873 7.427 1.00 0.00 C ATOM 760 CG PHE A 53 4.720 4.232 6.033 1.00 0.00 C ATOM 761 CD1 PHE A 53 4.758 5.574 5.636 1.00 0.00 C ATOM 762 CD2 PHE A 53 5.105 3.226 5.138 1.00 0.00 C ATOM 763 CE1 PHE A 53 5.180 5.910 4.344 1.00 0.00 C ATOM 764 CE2 PHE A 53 5.527 3.563 3.846 1.00 0.00 C ATOM 765 CZ PHE A 53 5.565 4.905 3.449 1.00 0.00 C ATOM 0 H PHE A 53 3.276 6.155 7.748 1.00 0.00 H new ATOM 0 HA PHE A 53 2.266 3.642 6.676 1.00 0.00 H new ATOM 0 HB2 PHE A 53 4.787 4.482 8.163 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.503 2.832 7.644 1.00 0.00 H new ATOM 0 HD1 PHE A 53 4.462 6.350 6.326 1.00 0.00 H new ATOM 0 HD2 PHE A 53 5.076 2.191 5.444 1.00 0.00 H new ATOM 0 HE1 PHE A 53 5.208 6.945 4.038 1.00 0.00 H new ATOM 0 HE2 PHE A 53 5.823 2.787 3.155 1.00 0.00 H new ATOM 0 HZ PHE A 53 5.891 5.165 2.453 1.00 0.00 H new ATOM 775 N GLY A 54 2.271 2.166 8.935 1.00 0.00 N ATOM 776 CA GLY A 54 1.758 1.508 10.149 1.00 0.00 C ATOM 777 C GLY A 54 0.251 1.344 10.009 1.00 0.00 C ATOM 778 O GLY A 54 -0.349 1.756 9.037 1.00 0.00 O ATOM 0 H GLY A 54 2.645 1.536 8.225 1.00 0.00 H new ATOM 0 HA2 GLY A 54 2.234 0.537 10.283 1.00 0.00 H new ATOM 0 HA3 GLY A 54 1.994 2.103 11.031 1.00 0.00 H new ATOM 782 N LYS A 55 -0.357 0.765 10.984 1.00 0.00 N ATOM 783 CA LYS A 55 -1.837 0.585 10.937 1.00 0.00 C ATOM 784 C LYS A 55 -2.506 1.886 11.366 1.00 0.00 C ATOM 785 O LYS A 55 -1.924 2.712 12.040 1.00 0.00 O ATOM 786 CB LYS A 55 -2.300 -0.560 11.851 1.00 0.00 C ATOM 787 CG LYS A 55 -1.108 -1.263 12.506 1.00 0.00 C ATOM 788 CD LYS A 55 -1.572 -2.602 13.083 1.00 0.00 C ATOM 789 CE LYS A 55 -0.383 -3.560 13.179 1.00 0.00 C ATOM 790 NZ LYS A 55 -0.798 -4.791 13.910 1.00 0.00 N ATOM 0 H LYS A 55 0.099 0.402 11.821 1.00 0.00 H new ATOM 0 HA LYS A 55 -2.120 0.328 9.916 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -2.963 -0.168 12.622 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -2.877 -1.281 11.271 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -0.317 -1.423 11.773 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -0.690 -0.638 13.295 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -2.011 -2.452 14.069 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -2.348 -3.032 12.451 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -0.028 -3.818 12.181 1.00 0.00 H new ATOM 0 HE3 LYS A 55 0.446 -3.078 13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -0.014 -5.121 14.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -1.623 -4.579 14.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -1.048 -5.533 13.226 1.00 0.00 H new ATOM 804 N CYS A 56 -3.710 2.086 10.929 1.00 0.00 N ATOM 805 CA CYS A 56 -4.428 3.346 11.238 1.00 0.00 C ATOM 806 C CYS A 56 -4.985 3.289 12.662 1.00 0.00 C ATOM 807 O CYS A 56 -4.270 3.677 13.571 1.00 0.00 O ATOM 808 CB CYS A 56 -5.576 3.532 10.236 1.00 0.00 C ATOM 809 SG CYS A 56 -5.154 2.794 8.623 1.00 0.00 S ATOM 810 OXT CYS A 56 -6.116 2.859 12.819 1.00 0.00 O ATOM 0 H CYS A 56 -4.236 1.421 10.362 1.00 0.00 H new ATOM 0 HA CYS A 56 -3.739 4.187 11.162 1.00 0.00 H new ATOM 0 HB2 CYS A 56 -6.483 3.070 10.626 1.00 0.00 H new ATOM 0 HB3 CYS A 56 -5.787 4.594 10.111 1.00 0.00 H new TER 815 CYS A 56