USER MOD reduce.3.24.130724 H: found=0, std=0, add=490, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 491 hydrogens (4 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 LEU N :NH3+ 172:sc= -8.31! (180deg=-8.61!) USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 5 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl -162:sc=-0.000476 (180deg=-0.077) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 SER OG : rot 180:sc= 0.151 USER MOD Single : A 46 SER OG : rot 28:sc= -1.94! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot -72:sc= 1.31 USER MOD Single : A 55 ASN : amide:sc= -0.0227 K(o=-0.023,f=-1.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.291 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.79! C(o=-2.8!,f=-7.4!) USER MOD ----------------------------------------------------------------- ATOM 1 N LEU A 1 -3.948 8.461 9.561 1.00 0.00 N ATOM 2 CA LEU A 1 -3.769 8.735 8.145 1.00 0.00 C ATOM 3 C LEU A 1 -2.443 8.131 7.677 1.00 0.00 C ATOM 4 O LEU A 1 -1.598 8.833 7.124 1.00 0.00 O ATOM 5 CB LEU A 1 -3.891 10.236 7.871 1.00 0.00 C ATOM 6 CG LEU A 1 -3.381 11.163 8.975 1.00 0.00 C ATOM 7 CD1 LEU A 1 -4.498 11.507 9.963 1.00 0.00 C ATOM 8 CD2 LEU A 1 -2.161 10.562 9.676 1.00 0.00 C ATOM 0 H1 LEU A 1 -4.776 8.982 9.913 1.00 0.00 H new ATOM 0 H2 LEU A 1 -4.095 7.441 9.701 1.00 0.00 H new ATOM 0 H3 LEU A 1 -3.101 8.763 10.083 1.00 0.00 H new ATOM 0 HA LEU A 1 -4.559 8.262 7.562 1.00 0.00 H new ATOM 0 HB2 LEU A 1 -3.348 10.463 6.954 1.00 0.00 H new ATOM 0 HB3 LEU A 1 -4.940 10.467 7.686 1.00 0.00 H new ATOM 0 HG LEU A 1 -3.060 12.097 8.514 1.00 0.00 H new ATOM 0 HD11 LEU A 1 -4.108 12.167 10.738 1.00 0.00 H new ATOM 0 HD12 LEU A 1 -5.310 12.007 9.435 1.00 0.00 H new ATOM 0 HD13 LEU A 1 -4.873 10.592 10.421 1.00 0.00 H new ATOM 0 HD21 LEU A 1 -1.818 11.241 10.457 1.00 0.00 H new ATOM 0 HD22 LEU A 1 -2.432 9.605 10.121 1.00 0.00 H new ATOM 0 HD23 LEU A 1 -1.362 10.411 8.950 1.00 0.00 H new ATOM 20 N LYS A 2 -2.303 6.835 7.916 1.00 0.00 N ATOM 21 CA LYS A 2 -1.095 6.129 7.526 1.00 0.00 C ATOM 22 C LYS A 2 -1.466 4.731 7.025 1.00 0.00 C ATOM 23 O LYS A 2 -2.000 3.919 7.779 1.00 0.00 O ATOM 24 CB LYS A 2 -0.084 6.122 8.674 1.00 0.00 C ATOM 25 CG LYS A 2 1.249 5.519 8.226 1.00 0.00 C ATOM 26 CD LYS A 2 2.295 5.616 9.339 1.00 0.00 C ATOM 27 CE LYS A 2 3.617 4.977 8.906 1.00 0.00 C ATOM 28 NZ LYS A 2 4.627 5.097 9.980 1.00 0.00 N ATOM 0 H LYS A 2 -3.006 6.256 8.375 1.00 0.00 H new ATOM 0 HA LYS A 2 -0.602 6.644 6.701 1.00 0.00 H new ATOM 0 HB2 LYS A 2 0.074 7.140 9.030 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -0.483 5.550 9.512 1.00 0.00 H new ATOM 0 HG2 LYS A 2 1.105 4.475 7.947 1.00 0.00 H new ATOM 0 HG3 LYS A 2 1.608 6.040 7.338 1.00 0.00 H new ATOM 0 HD2 LYS A 2 2.460 6.662 9.598 1.00 0.00 H new ATOM 0 HD3 LYS A 2 1.924 5.120 10.236 1.00 0.00 H new ATOM 0 HE2 LYS A 2 3.458 3.926 8.664 1.00 0.00 H new ATOM 0 HE3 LYS A 2 3.982 5.461 8.000 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 5.518 4.658 9.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 4.791 6.102 10.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 4.283 4.615 10.835 1.00 0.00 H new ATOM 42 N CYS A 3 -1.170 4.494 5.756 1.00 0.00 N ATOM 43 CA CYS A 3 -1.465 3.209 5.145 1.00 0.00 C ATOM 44 C CYS A 3 -0.154 2.606 4.637 1.00 0.00 C ATOM 45 O CYS A 3 0.807 3.328 4.379 1.00 0.00 O ATOM 46 CB CYS A 3 -2.504 3.339 4.030 1.00 0.00 C ATOM 47 SG CYS A 3 -3.929 4.415 4.429 1.00 0.00 S ATOM 0 H CYS A 3 -0.728 5.171 5.133 1.00 0.00 H new ATOM 0 HA CYS A 3 -1.906 2.543 5.887 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -2.012 3.727 3.138 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -2.876 2.345 3.782 1.00 0.00 H new ATOM 52 N LYS A 4 -0.158 1.287 4.509 1.00 0.00 N ATOM 53 CA LYS A 4 1.019 0.578 4.037 1.00 0.00 C ATOM 54 C LYS A 4 0.782 0.105 2.601 1.00 0.00 C ATOM 55 O LYS A 4 -0.353 0.092 2.127 1.00 0.00 O ATOM 56 CB LYS A 4 1.389 -0.550 5.002 1.00 0.00 C ATOM 57 CG LYS A 4 1.780 0.008 6.373 1.00 0.00 C ATOM 58 CD LYS A 4 2.494 -1.053 7.213 1.00 0.00 C ATOM 59 CE LYS A 4 1.546 -2.200 7.569 1.00 0.00 C ATOM 60 NZ LYS A 4 2.184 -3.118 8.538 1.00 0.00 N ATOM 0 H LYS A 4 -0.957 0.691 4.724 1.00 0.00 H new ATOM 0 HA LYS A 4 1.882 1.244 4.016 1.00 0.00 H new ATOM 0 HB2 LYS A 4 0.546 -1.232 5.110 1.00 0.00 H new ATOM 0 HB3 LYS A 4 2.217 -1.128 4.591 1.00 0.00 H new ATOM 0 HG2 LYS A 4 2.430 0.874 6.245 1.00 0.00 H new ATOM 0 HG3 LYS A 4 0.889 0.353 6.897 1.00 0.00 H new ATOM 0 HD2 LYS A 4 3.351 -1.442 6.662 1.00 0.00 H new ATOM 0 HD3 LYS A 4 2.881 -0.600 8.126 1.00 0.00 H new ATOM 0 HE2 LYS A 4 0.624 -1.800 7.991 1.00 0.00 H new ATOM 0 HE3 LYS A 4 1.273 -2.747 6.667 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 1.527 -3.891 8.769 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 3.051 -3.514 8.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 2.423 -2.596 9.405 1.00 0.00 H new ATOM 74 N LYS A 5 1.872 -0.272 1.949 1.00 0.00 N ATOM 75 CA LYS A 5 1.798 -0.744 0.577 1.00 0.00 C ATOM 76 C LYS A 5 2.195 -2.220 0.528 1.00 0.00 C ATOM 77 O LYS A 5 2.362 -2.857 1.567 1.00 0.00 O ATOM 78 CB LYS A 5 2.633 0.149 -0.344 1.00 0.00 C ATOM 79 CG LYS A 5 2.082 1.576 -0.370 1.00 0.00 C ATOM 80 CD LYS A 5 2.759 2.404 -1.465 1.00 0.00 C ATOM 81 CE LYS A 5 1.807 3.468 -2.014 1.00 0.00 C ATOM 82 NZ LYS A 5 0.920 2.887 -3.047 1.00 0.00 N ATOM 0 H LYS A 5 2.812 -0.260 2.346 1.00 0.00 H new ATOM 0 HA LYS A 5 0.775 -0.676 0.206 1.00 0.00 H new ATOM 0 HB2 LYS A 5 3.668 0.161 -0.004 1.00 0.00 H new ATOM 0 HB3 LYS A 5 2.634 -0.263 -1.353 1.00 0.00 H new ATOM 0 HG2 LYS A 5 1.006 1.551 -0.540 1.00 0.00 H new ATOM 0 HG3 LYS A 5 2.240 2.049 0.599 1.00 0.00 H new ATOM 0 HD2 LYS A 5 3.653 2.882 -1.064 1.00 0.00 H new ATOM 0 HD3 LYS A 5 3.083 1.749 -2.273 1.00 0.00 H new ATOM 0 HE2 LYS A 5 1.208 3.882 -1.203 1.00 0.00 H new ATOM 0 HE3 LYS A 5 2.380 4.292 -2.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 0.280 3.623 -3.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 1.496 2.513 -3.829 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 0.360 2.116 -2.630 1.00 0.00 H new ATOM 96 N LEU A 6 2.336 -2.722 -0.690 1.00 0.00 N ATOM 97 CA LEU A 6 2.711 -4.112 -0.888 1.00 0.00 C ATOM 98 C LEU A 6 4.236 -4.222 -0.941 1.00 0.00 C ATOM 99 O LEU A 6 4.936 -3.210 -0.920 1.00 0.00 O ATOM 100 CB LEU A 6 2.010 -4.686 -2.121 1.00 0.00 C ATOM 101 CG LEU A 6 0.599 -5.232 -1.897 1.00 0.00 C ATOM 102 CD1 LEU A 6 -0.411 -4.535 -2.811 1.00 0.00 C ATOM 103 CD2 LEU A 6 0.566 -6.753 -2.062 1.00 0.00 C ATOM 0 H LEU A 6 2.197 -2.191 -1.550 1.00 0.00 H new ATOM 0 HA LEU A 6 2.376 -4.720 -0.048 1.00 0.00 H new ATOM 0 HB2 LEU A 6 1.960 -3.907 -2.882 1.00 0.00 H new ATOM 0 HB3 LEU A 6 2.628 -5.487 -2.526 1.00 0.00 H new ATOM 0 HG LEU A 6 0.308 -5.013 -0.870 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -1.406 -4.942 -2.631 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -0.413 -3.465 -2.602 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -0.134 -4.700 -3.852 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -0.449 -7.115 -1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 6 0.886 -7.017 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 6 1.237 -7.212 -1.336 1.00 0.00 H new ATOM 115 N VAL A 7 4.707 -5.459 -1.009 1.00 0.00 N ATOM 116 CA VAL A 7 6.136 -5.714 -1.065 1.00 0.00 C ATOM 117 C VAL A 7 6.781 -4.757 -2.070 1.00 0.00 C ATOM 118 O VAL A 7 6.243 -4.533 -3.153 1.00 0.00 O ATOM 119 CB VAL A 7 6.393 -7.186 -1.392 1.00 0.00 C ATOM 120 CG1 VAL A 7 5.849 -7.543 -2.777 1.00 0.00 C ATOM 121 CG2 VAL A 7 7.882 -7.520 -1.284 1.00 0.00 C ATOM 0 H VAL A 7 4.124 -6.296 -1.027 1.00 0.00 H new ATOM 0 HA VAL A 7 6.596 -5.526 -0.095 1.00 0.00 H new ATOM 0 HB VAL A 7 5.861 -7.790 -0.657 1.00 0.00 H new ATOM 0 HG11 VAL A 7 6.045 -8.595 -2.985 1.00 0.00 H new ATOM 0 HG12 VAL A 7 4.775 -7.362 -2.804 1.00 0.00 H new ATOM 0 HG13 VAL A 7 6.340 -6.927 -3.531 1.00 0.00 H new ATOM 0 HG21 VAL A 7 8.037 -8.572 -1.521 1.00 0.00 H new ATOM 0 HG22 VAL A 7 8.445 -6.903 -1.985 1.00 0.00 H new ATOM 0 HG23 VAL A 7 8.226 -7.323 -0.269 1.00 0.00 H new ATOM 131 N PRO A 8 7.956 -4.205 -1.665 1.00 0.00 N ATOM 132 CA PRO A 8 8.525 -4.524 -0.366 1.00 0.00 C ATOM 133 C PRO A 8 7.764 -3.813 0.755 1.00 0.00 C ATOM 134 O PRO A 8 7.096 -2.809 0.517 1.00 0.00 O ATOM 135 CB PRO A 8 9.981 -4.098 -0.459 1.00 0.00 C ATOM 136 CG PRO A 8 10.060 -3.136 -1.633 1.00 0.00 C ATOM 137 CD PRO A 8 8.771 -3.265 -2.429 1.00 0.00 C ATOM 0 HA PRO A 8 8.449 -5.584 -0.122 1.00 0.00 H new ATOM 0 HB2 PRO A 8 10.307 -3.616 0.463 1.00 0.00 H new ATOM 0 HB3 PRO A 8 10.631 -4.959 -0.615 1.00 0.00 H new ATOM 0 HG2 PRO A 8 10.190 -2.113 -1.280 1.00 0.00 H new ATOM 0 HG3 PRO A 8 10.921 -3.369 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 8 8.272 -2.302 -2.533 1.00 0.00 H new ATOM 0 HD3 PRO A 8 8.963 -3.635 -3.436 1.00 0.00 H new ATOM 145 N LEU A 9 7.892 -4.363 1.954 1.00 0.00 N ATOM 146 CA LEU A 9 7.225 -3.795 3.113 1.00 0.00 C ATOM 147 C LEU A 9 7.695 -2.352 3.309 1.00 0.00 C ATOM 148 O LEU A 9 8.761 -2.114 3.874 1.00 0.00 O ATOM 149 CB LEU A 9 7.436 -4.682 4.341 1.00 0.00 C ATOM 150 CG LEU A 9 6.387 -4.555 5.448 1.00 0.00 C ATOM 151 CD1 LEU A 9 6.245 -3.102 5.905 1.00 0.00 C ATOM 152 CD2 LEU A 9 5.049 -5.151 5.006 1.00 0.00 C ATOM 0 H LEU A 9 8.448 -5.196 2.148 1.00 0.00 H new ATOM 0 HA LEU A 9 6.147 -3.762 2.954 1.00 0.00 H new ATOM 0 HB2 LEU A 9 7.466 -5.721 4.013 1.00 0.00 H new ATOM 0 HB3 LEU A 9 8.413 -4.454 4.766 1.00 0.00 H new ATOM 0 HG LEU A 9 6.727 -5.131 6.309 1.00 0.00 H new ATOM 0 HD11 LEU A 9 5.493 -3.040 6.692 1.00 0.00 H new ATOM 0 HD12 LEU A 9 7.201 -2.746 6.288 1.00 0.00 H new ATOM 0 HD13 LEU A 9 5.939 -2.483 5.061 1.00 0.00 H new ATOM 0 HD21 LEU A 9 4.321 -5.048 5.811 1.00 0.00 H new ATOM 0 HD22 LEU A 9 4.690 -4.624 4.122 1.00 0.00 H new ATOM 0 HD23 LEU A 9 5.181 -6.207 4.770 1.00 0.00 H new ATOM 164 N PHE A 10 6.875 -1.426 2.832 1.00 0.00 N ATOM 165 CA PHE A 10 7.193 -0.013 2.948 1.00 0.00 C ATOM 166 C PHE A 10 5.965 0.792 3.376 1.00 0.00 C ATOM 167 O PHE A 10 4.875 0.601 2.838 1.00 0.00 O ATOM 168 CB PHE A 10 7.641 0.459 1.563 1.00 0.00 C ATOM 169 CG PHE A 10 7.832 1.974 1.454 1.00 0.00 C ATOM 170 CD1 PHE A 10 8.831 2.585 2.147 1.00 0.00 C ATOM 171 CD2 PHE A 10 7.003 2.709 0.665 1.00 0.00 C ATOM 172 CE1 PHE A 10 9.008 3.990 2.046 1.00 0.00 C ATOM 173 CE2 PHE A 10 7.180 4.114 0.564 1.00 0.00 C ATOM 174 CZ PHE A 10 8.179 4.725 1.257 1.00 0.00 C ATOM 0 H PHE A 10 5.991 -1.627 2.364 1.00 0.00 H new ATOM 0 HA PHE A 10 7.969 0.134 3.699 1.00 0.00 H new ATOM 0 HB2 PHE A 10 8.579 -0.035 1.308 1.00 0.00 H new ATOM 0 HB3 PHE A 10 6.903 0.142 0.826 1.00 0.00 H new ATOM 0 HD1 PHE A 10 9.489 2.001 2.774 1.00 0.00 H new ATOM 0 HD2 PHE A 10 6.210 2.224 0.115 1.00 0.00 H new ATOM 0 HE1 PHE A 10 9.801 4.475 2.596 1.00 0.00 H new ATOM 0 HE2 PHE A 10 6.522 4.698 -0.063 1.00 0.00 H new ATOM 0 HZ PHE A 10 8.314 5.794 1.181 1.00 0.00 H new ATOM 184 N SER A 11 6.182 1.675 4.340 1.00 0.00 N ATOM 185 CA SER A 11 5.106 2.509 4.846 1.00 0.00 C ATOM 186 C SER A 11 4.918 3.728 3.940 1.00 0.00 C ATOM 187 O SER A 11 5.886 4.255 3.394 1.00 0.00 O ATOM 188 CB SER A 11 5.384 2.955 6.284 1.00 0.00 C ATOM 189 OG SER A 11 6.631 3.636 6.400 1.00 0.00 O ATOM 0 H SER A 11 7.087 1.831 4.784 1.00 0.00 H new ATOM 0 HA SER A 11 4.189 1.920 4.847 1.00 0.00 H new ATOM 0 HB2 SER A 11 4.581 3.609 6.622 1.00 0.00 H new ATOM 0 HB3 SER A 11 5.384 2.085 6.940 1.00 0.00 H new ATOM 0 HG SER A 11 6.771 3.906 7.332 1.00 0.00 H new ATOM 195 N LYS A 12 3.666 4.140 3.809 1.00 0.00 N ATOM 196 CA LYS A 12 3.339 5.287 2.978 1.00 0.00 C ATOM 197 C LYS A 12 2.303 6.153 3.698 1.00 0.00 C ATOM 198 O LYS A 12 1.232 5.670 4.065 1.00 0.00 O ATOM 199 CB LYS A 12 2.900 4.831 1.585 1.00 0.00 C ATOM 200 CG LYS A 12 2.636 6.032 0.674 1.00 0.00 C ATOM 201 CD LYS A 12 3.931 6.518 0.020 1.00 0.00 C ATOM 202 CE LYS A 12 3.678 7.754 -0.845 1.00 0.00 C ATOM 203 NZ LYS A 12 4.936 8.213 -1.475 1.00 0.00 N ATOM 0 H LYS A 12 2.866 3.701 4.264 1.00 0.00 H new ATOM 0 HA LYS A 12 4.220 5.909 2.821 1.00 0.00 H new ATOM 0 HB2 LYS A 12 3.671 4.199 1.145 1.00 0.00 H new ATOM 0 HB3 LYS A 12 1.998 4.225 1.664 1.00 0.00 H new ATOM 0 HG2 LYS A 12 1.916 5.757 -0.097 1.00 0.00 H new ATOM 0 HG3 LYS A 12 2.190 6.841 1.253 1.00 0.00 H new ATOM 0 HD2 LYS A 12 4.666 6.753 0.790 1.00 0.00 H new ATOM 0 HD3 LYS A 12 4.355 5.722 -0.592 1.00 0.00 H new ATOM 0 HE2 LYS A 12 2.943 7.522 -1.615 1.00 0.00 H new ATOM 0 HE3 LYS A 12 3.258 8.553 -0.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 4.746 9.053 -2.058 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 5.627 8.454 -0.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 5.321 7.455 -2.074 1.00 0.00 H new ATOM 217 N THR A 13 2.657 7.417 3.877 1.00 0.00 N ATOM 218 CA THR A 13 1.771 8.355 4.546 1.00 0.00 C ATOM 219 C THR A 13 0.723 8.888 3.567 1.00 0.00 C ATOM 220 O THR A 13 1.037 9.182 2.415 1.00 0.00 O ATOM 221 CB THR A 13 2.632 9.453 5.173 1.00 0.00 C ATOM 222 OG1 THR A 13 3.558 8.743 5.991 1.00 0.00 O ATOM 223 CG2 THR A 13 1.848 10.318 6.162 1.00 0.00 C ATOM 0 H THR A 13 3.545 7.814 3.570 1.00 0.00 H new ATOM 0 HA THR A 13 1.208 7.869 5.343 1.00 0.00 H new ATOM 0 HB THR A 13 3.045 10.084 4.386 1.00 0.00 H new ATOM 0 HG1 THR A 13 4.157 9.379 6.435 1.00 0.00 H new ATOM 0 HG21 THR A 13 2.505 11.081 6.578 1.00 0.00 H new ATOM 0 HG22 THR A 13 1.016 10.797 5.646 1.00 0.00 H new ATOM 0 HG23 THR A 13 1.463 9.692 6.967 1.00 0.00 H new ATOM 231 N CYS A 14 -0.501 8.998 4.063 1.00 0.00 N ATOM 232 CA CYS A 14 -1.597 9.492 3.247 1.00 0.00 C ATOM 233 C CYS A 14 -1.507 11.018 3.194 1.00 0.00 C ATOM 234 O CYS A 14 -1.658 11.688 4.214 1.00 0.00 O ATOM 235 CB CYS A 14 -2.953 9.017 3.774 1.00 0.00 C ATOM 236 SG CYS A 14 -3.347 7.268 3.412 1.00 0.00 S ATOM 0 H CYS A 14 -0.758 8.754 5.019 1.00 0.00 H new ATOM 0 HA CYS A 14 -1.513 9.090 2.238 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -2.979 9.165 4.854 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -3.734 9.647 3.347 1.00 0.00 H new ATOM 241 N PRO A 15 -1.256 11.537 1.962 1.00 0.00 N ATOM 242 CA PRO A 15 -1.145 12.972 1.763 1.00 0.00 C ATOM 243 C PRO A 15 -2.521 13.639 1.801 1.00 0.00 C ATOM 244 O PRO A 15 -3.545 12.965 1.704 1.00 0.00 O ATOM 245 CB PRO A 15 -0.445 13.130 0.422 1.00 0.00 C ATOM 246 CG PRO A 15 -0.608 11.798 -0.292 1.00 0.00 C ATOM 247 CD PRO A 15 -1.072 10.774 0.731 1.00 0.00 C ATOM 0 HA PRO A 15 -0.578 13.464 2.554 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -0.888 13.940 -0.157 1.00 0.00 H new ATOM 0 HB3 PRO A 15 0.609 13.374 0.558 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -1.333 11.885 -1.101 1.00 0.00 H new ATOM 0 HG3 PRO A 15 0.335 11.488 -0.742 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -2.000 10.295 0.419 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -0.334 9.983 0.862 1.00 0.00 H new ATOM 255 N ALA A 16 -2.501 14.956 1.943 1.00 0.00 N ATOM 256 CA ALA A 16 -3.734 15.722 1.996 1.00 0.00 C ATOM 257 C ALA A 16 -4.651 15.283 0.853 1.00 0.00 C ATOM 258 O ALA A 16 -4.221 15.203 -0.297 1.00 0.00 O ATOM 259 CB ALA A 16 -3.410 17.217 1.942 1.00 0.00 C ATOM 0 H ALA A 16 -1.650 15.512 2.023 1.00 0.00 H new ATOM 0 HA ALA A 16 -4.261 15.536 2.932 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -4.335 17.792 1.982 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -2.781 17.484 2.791 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -2.883 17.442 1.015 1.00 0.00 H new ATOM 265 N GLY A 17 -5.898 15.011 1.209 1.00 0.00 N ATOM 266 CA GLY A 17 -6.880 14.582 0.227 1.00 0.00 C ATOM 267 C GLY A 17 -7.344 13.150 0.505 1.00 0.00 C ATOM 268 O GLY A 17 -8.536 12.857 0.438 1.00 0.00 O ATOM 0 H GLY A 17 -6.251 15.079 2.164 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -7.737 15.256 0.246 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -6.450 14.641 -0.773 1.00 0.00 H new ATOM 272 N LYS A 18 -6.377 12.298 0.810 1.00 0.00 N ATOM 273 CA LYS A 18 -6.671 10.904 1.098 1.00 0.00 C ATOM 274 C LYS A 18 -6.544 10.661 2.603 1.00 0.00 C ATOM 275 O LYS A 18 -5.534 11.016 3.210 1.00 0.00 O ATOM 276 CB LYS A 18 -5.790 9.984 0.251 1.00 0.00 C ATOM 277 CG LYS A 18 -5.869 10.360 -1.230 1.00 0.00 C ATOM 278 CD LYS A 18 -4.814 9.609 -2.044 1.00 0.00 C ATOM 279 CE LYS A 18 -4.989 9.870 -3.542 1.00 0.00 C ATOM 280 NZ LYS A 18 -3.979 9.118 -4.320 1.00 0.00 N ATOM 0 H LYS A 18 -5.389 12.546 0.864 1.00 0.00 H new ATOM 0 HA LYS A 18 -7.698 10.667 0.821 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -4.757 10.049 0.592 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -6.105 8.949 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -6.862 10.129 -1.615 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -5.725 11.434 -1.344 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -3.818 9.921 -1.731 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -4.890 8.540 -1.846 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -5.991 9.575 -3.854 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -4.893 10.937 -3.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -4.112 9.306 -5.334 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -3.026 9.419 -4.034 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -4.089 8.100 -4.139 1.00 0.00 H new ATOM 294 N ASN A 19 -7.583 10.059 3.163 1.00 0.00 N ATOM 295 CA ASN A 19 -7.601 9.765 4.586 1.00 0.00 C ATOM 296 C ASN A 19 -8.125 8.344 4.802 1.00 0.00 C ATOM 297 O ASN A 19 -8.417 7.951 5.930 1.00 0.00 O ATOM 298 CB ASN A 19 -8.523 10.728 5.336 1.00 0.00 C ATOM 299 CG ASN A 19 -7.970 12.154 5.303 1.00 0.00 C ATOM 300 OD1 ASN A 19 -8.207 12.919 4.382 1.00 0.00 O ATOM 301 ND2 ASN A 19 -7.221 12.468 6.356 1.00 0.00 N ATOM 0 H ASN A 19 -8.419 9.767 2.657 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.584 9.871 4.965 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -9.517 10.709 4.888 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -8.633 10.401 6.370 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -6.805 13.397 6.427 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.062 11.780 7.092 1.00 0.00 H new ATOM 308 N LEU A 20 -8.229 7.612 3.702 1.00 0.00 N ATOM 309 CA LEU A 20 -8.714 6.243 3.757 1.00 0.00 C ATOM 310 C LEU A 20 -7.707 5.323 3.064 1.00 0.00 C ATOM 311 O LEU A 20 -6.933 5.768 2.218 1.00 0.00 O ATOM 312 CB LEU A 20 -10.128 6.152 3.181 1.00 0.00 C ATOM 313 CG LEU A 20 -11.187 7.022 3.862 1.00 0.00 C ATOM 314 CD1 LEU A 20 -12.327 7.353 2.897 1.00 0.00 C ATOM 315 CD2 LEU A 20 -11.695 6.364 5.146 1.00 0.00 C ATOM 0 H LEU A 20 -7.986 7.941 2.768 1.00 0.00 H new ATOM 0 HA LEU A 20 -8.794 5.908 4.791 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -10.087 6.423 2.126 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -10.453 5.113 3.231 1.00 0.00 H new ATOM 0 HG LEU A 20 -10.722 7.966 4.147 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -13.066 7.972 3.406 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -11.931 7.893 2.037 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -12.798 6.430 2.559 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -12.446 7.003 5.610 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -12.138 5.397 4.909 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -10.863 6.223 5.836 1.00 0.00 H new ATOM 327 N CYS A 21 -7.750 4.055 3.448 1.00 0.00 N ATOM 328 CA CYS A 21 -6.852 3.068 2.875 1.00 0.00 C ATOM 329 C CYS A 21 -7.666 2.150 1.962 1.00 0.00 C ATOM 330 O CYS A 21 -8.739 1.684 2.342 1.00 0.00 O ATOM 331 CB CYS A 21 -6.108 2.283 3.957 1.00 0.00 C ATOM 332 SG CYS A 21 -5.361 3.310 5.274 1.00 0.00 S ATOM 0 H CYS A 21 -8.394 3.689 4.150 1.00 0.00 H new ATOM 0 HA CYS A 21 -6.082 3.571 2.290 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -6.801 1.577 4.415 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -5.321 1.696 3.484 1.00 0.00 H new ATOM 337 N TYR A 22 -7.126 1.918 0.774 1.00 0.00 N ATOM 338 CA TYR A 22 -7.790 1.064 -0.196 1.00 0.00 C ATOM 339 C TYR A 22 -6.980 -0.209 -0.450 1.00 0.00 C ATOM 340 O TYR A 22 -5.752 -0.168 -0.507 1.00 0.00 O ATOM 341 CB TYR A 22 -7.861 1.875 -1.492 1.00 0.00 C ATOM 342 CG TYR A 22 -6.657 1.680 -2.415 1.00 0.00 C ATOM 343 CD1 TYR A 22 -6.517 0.506 -3.128 1.00 0.00 C ATOM 344 CD2 TYR A 22 -5.712 2.678 -2.536 1.00 0.00 C ATOM 345 CE1 TYR A 22 -5.384 0.323 -3.997 1.00 0.00 C ATOM 346 CE2 TYR A 22 -4.579 2.495 -3.406 1.00 0.00 C ATOM 347 CZ TYR A 22 -4.470 1.326 -4.093 1.00 0.00 C ATOM 348 OH TYR A 22 -3.400 1.153 -4.914 1.00 0.00 O ATOM 0 H TYR A 22 -6.236 2.307 0.462 1.00 0.00 H new ATOM 0 HA TYR A 22 -8.774 0.765 0.165 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -8.767 1.600 -2.031 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -7.947 2.933 -1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -7.257 -0.275 -3.034 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -5.822 3.596 -1.978 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -5.262 -0.590 -4.560 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -3.833 3.269 -3.511 1.00 0.00 H new ATOM 0 HH TYR A 22 -2.832 1.951 -4.883 1.00 0.00 H new ATOM 358 N LYS A 23 -7.702 -1.311 -0.595 1.00 0.00 N ATOM 359 CA LYS A 23 -7.066 -2.594 -0.841 1.00 0.00 C ATOM 360 C LYS A 23 -7.895 -3.382 -1.857 1.00 0.00 C ATOM 361 O LYS A 23 -8.995 -3.836 -1.548 1.00 0.00 O ATOM 362 CB LYS A 23 -6.836 -3.340 0.475 1.00 0.00 C ATOM 363 CG LYS A 23 -8.139 -3.468 1.267 1.00 0.00 C ATOM 364 CD LYS A 23 -8.249 -4.846 1.923 1.00 0.00 C ATOM 365 CE LYS A 23 -7.268 -4.978 3.090 1.00 0.00 C ATOM 366 NZ LYS A 23 -7.248 -6.368 3.596 1.00 0.00 N ATOM 0 H LYS A 23 -8.720 -1.342 -0.547 1.00 0.00 H new ATOM 0 HA LYS A 23 -6.077 -2.451 -1.277 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -6.432 -4.331 0.270 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.094 -2.811 1.072 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -8.181 -2.693 2.032 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -8.989 -3.308 0.604 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -9.267 -5.003 2.280 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.047 -5.622 1.184 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -6.268 -4.688 2.767 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -7.554 -4.297 3.892 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -6.577 -6.440 4.388 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -8.199 -6.632 3.923 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -6.953 -7.011 2.833 1.00 0.00 H new ATOM 380 N MET A 24 -7.334 -3.521 -3.050 1.00 0.00 N ATOM 381 CA MET A 24 -8.008 -4.246 -4.114 1.00 0.00 C ATOM 382 C MET A 24 -7.458 -5.668 -4.241 1.00 0.00 C ATOM 383 O MET A 24 -6.249 -5.881 -4.150 1.00 0.00 O ATOM 384 CB MET A 24 -7.817 -3.504 -5.438 1.00 0.00 C ATOM 385 CG MET A 24 -8.548 -4.218 -6.577 1.00 0.00 C ATOM 386 SD MET A 24 -7.679 -3.963 -8.115 1.00 0.00 S ATOM 387 CE MET A 24 -6.938 -5.574 -8.323 1.00 0.00 C ATOM 0 H MET A 24 -6.421 -3.144 -3.303 1.00 0.00 H new ATOM 0 HA MET A 24 -9.069 -4.307 -3.872 1.00 0.00 H new ATOM 0 HB2 MET A 24 -8.190 -2.484 -5.345 1.00 0.00 H new ATOM 0 HB3 MET A 24 -6.754 -3.435 -5.670 1.00 0.00 H new ATOM 0 HG2 MET A 24 -8.619 -5.284 -6.362 1.00 0.00 H new ATOM 0 HG3 MET A 24 -9.567 -3.841 -6.659 1.00 0.00 H new ATOM 0 HE1 MET A 24 -6.119 -5.508 -9.040 1.00 0.00 H new ATOM 0 HE2 MET A 24 -6.554 -5.924 -7.365 1.00 0.00 H new ATOM 0 HE3 MET A 24 -7.687 -6.274 -8.692 1.00 0.00 H new ATOM 397 N PHE A 25 -8.371 -6.605 -4.451 1.00 0.00 N ATOM 398 CA PHE A 25 -7.992 -8.001 -4.592 1.00 0.00 C ATOM 399 C PHE A 25 -8.963 -8.742 -5.513 1.00 0.00 C ATOM 400 O PHE A 25 -9.965 -8.177 -5.948 1.00 0.00 O ATOM 401 CB PHE A 25 -8.055 -8.625 -3.197 1.00 0.00 C ATOM 402 CG PHE A 25 -9.381 -8.390 -2.469 1.00 0.00 C ATOM 403 CD1 PHE A 25 -9.560 -7.264 -1.729 1.00 0.00 C ATOM 404 CD2 PHE A 25 -10.379 -9.309 -2.564 1.00 0.00 C ATOM 405 CE1 PHE A 25 -10.791 -7.047 -1.054 1.00 0.00 C ATOM 406 CE2 PHE A 25 -11.610 -9.091 -1.889 1.00 0.00 C ATOM 407 CZ PHE A 25 -11.789 -7.965 -1.148 1.00 0.00 C ATOM 0 H PHE A 25 -9.372 -6.425 -4.527 1.00 0.00 H new ATOM 0 HA PHE A 25 -6.995 -8.074 -5.025 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -7.884 -9.698 -3.282 1.00 0.00 H new ATOM 0 HB3 PHE A 25 -7.244 -8.220 -2.592 1.00 0.00 H new ATOM 0 HD1 PHE A 25 -8.767 -6.535 -1.654 1.00 0.00 H new ATOM 0 HD2 PHE A 25 -10.236 -10.204 -3.152 1.00 0.00 H new ATOM 0 HE1 PHE A 25 -10.934 -6.152 -0.466 1.00 0.00 H new ATOM 0 HE2 PHE A 25 -12.404 -9.820 -1.964 1.00 0.00 H new ATOM 0 HZ PHE A 25 -12.724 -7.800 -0.634 1.00 0.00 H new ATOM 417 N MET A 26 -8.632 -9.996 -5.783 1.00 0.00 N ATOM 418 CA MET A 26 -9.462 -10.820 -6.645 1.00 0.00 C ATOM 419 C MET A 26 -10.503 -11.591 -5.830 1.00 0.00 C ATOM 420 O MET A 26 -10.163 -12.252 -4.849 1.00 0.00 O ATOM 421 CB MET A 26 -8.580 -11.808 -7.412 1.00 0.00 C ATOM 422 CG MET A 26 -8.114 -11.210 -8.741 1.00 0.00 C ATOM 423 SD MET A 26 -6.444 -10.600 -8.584 1.00 0.00 S ATOM 424 CE MET A 26 -6.260 -9.790 -10.164 1.00 0.00 C ATOM 0 H MET A 26 -7.800 -10.462 -5.420 1.00 0.00 H new ATOM 0 HA MET A 26 -9.985 -10.168 -7.344 1.00 0.00 H new ATOM 0 HB2 MET A 26 -7.714 -12.075 -6.806 1.00 0.00 H new ATOM 0 HB3 MET A 26 -9.135 -12.728 -7.598 1.00 0.00 H new ATOM 0 HG2 MET A 26 -8.162 -11.965 -9.526 1.00 0.00 H new ATOM 0 HG3 MET A 26 -8.780 -10.399 -9.038 1.00 0.00 H new ATOM 0 HE1 MET A 26 -5.265 -9.351 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 26 -6.392 -10.519 -10.964 1.00 0.00 H new ATOM 0 HE3 MET A 26 -7.011 -9.006 -10.260 1.00 0.00 H new ATOM 434 N VAL A 27 -11.749 -11.481 -6.266 1.00 0.00 N ATOM 435 CA VAL A 27 -12.841 -12.159 -5.588 1.00 0.00 C ATOM 436 C VAL A 27 -12.673 -13.672 -5.747 1.00 0.00 C ATOM 437 O VAL A 27 -13.381 -14.300 -6.532 1.00 0.00 O ATOM 438 CB VAL A 27 -14.183 -11.648 -6.117 1.00 0.00 C ATOM 439 CG1 VAL A 27 -15.347 -12.435 -5.512 1.00 0.00 C ATOM 440 CG2 VAL A 27 -14.340 -10.149 -5.856 1.00 0.00 C ATOM 0 H VAL A 27 -12.027 -10.933 -7.080 1.00 0.00 H new ATOM 0 HA VAL A 27 -12.823 -11.940 -4.520 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.199 -11.804 -7.196 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -16.289 -12.051 -5.905 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -15.248 -13.489 -5.772 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.335 -12.326 -4.428 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -15.302 -9.811 -6.242 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -14.292 -9.959 -4.784 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -13.538 -9.607 -6.356 1.00 0.00 H new ATOM 450 N ALA A 28 -11.731 -14.213 -4.989 1.00 0.00 N ATOM 451 CA ALA A 28 -11.461 -15.640 -5.036 1.00 0.00 C ATOM 452 C ALA A 28 -10.503 -16.010 -3.902 1.00 0.00 C ATOM 453 O ALA A 28 -10.676 -17.038 -3.248 1.00 0.00 O ATOM 454 CB ALA A 28 -10.905 -16.010 -6.412 1.00 0.00 C ATOM 0 H ALA A 28 -11.145 -13.689 -4.339 1.00 0.00 H new ATOM 0 HA ALA A 28 -12.379 -16.209 -4.892 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -10.703 -17.080 -6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -11.635 -15.753 -7.180 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -9.981 -15.460 -6.591 1.00 0.00 H new ATOM 460 N ALA A 29 -9.512 -15.153 -3.703 1.00 0.00 N ATOM 461 CA ALA A 29 -8.526 -15.378 -2.659 1.00 0.00 C ATOM 462 C ALA A 29 -8.562 -14.211 -1.671 1.00 0.00 C ATOM 463 O ALA A 29 -7.721 -13.315 -1.732 1.00 0.00 O ATOM 464 CB ALA A 29 -7.146 -15.564 -3.292 1.00 0.00 C ATOM 0 H ALA A 29 -9.371 -14.302 -4.247 1.00 0.00 H new ATOM 0 HA ALA A 29 -8.755 -16.288 -2.104 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.406 -15.733 -2.509 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -7.166 -16.423 -3.963 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -6.880 -14.669 -3.855 1.00 0.00 H new ATOM 470 N PRO A 30 -9.570 -14.260 -0.759 1.00 0.00 N ATOM 471 CA PRO A 30 -9.726 -13.219 0.242 1.00 0.00 C ATOM 472 C PRO A 30 -8.675 -13.356 1.345 1.00 0.00 C ATOM 473 O PRO A 30 -9.016 -13.498 2.518 1.00 0.00 O ATOM 474 CB PRO A 30 -11.148 -13.375 0.754 1.00 0.00 C ATOM 475 CG PRO A 30 -11.580 -14.779 0.363 1.00 0.00 C ATOM 476 CD PRO A 30 -10.583 -15.306 -0.657 1.00 0.00 C ATOM 0 HA PRO A 30 -9.570 -12.219 -0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 30 -11.191 -13.240 1.835 1.00 0.00 H new ATOM 0 HB3 PRO A 30 -11.806 -12.627 0.313 1.00 0.00 H new ATOM 0 HG2 PRO A 30 -11.609 -15.427 1.239 1.00 0.00 H new ATOM 0 HG3 PRO A 30 -12.586 -14.766 -0.057 1.00 0.00 H new ATOM 0 HD2 PRO A 30 -10.146 -16.250 -0.332 1.00 0.00 H new ATOM 0 HD3 PRO A 30 -11.061 -15.490 -1.619 1.00 0.00 H new ATOM 484 N HIS A 31 -7.418 -13.307 0.929 1.00 0.00 N ATOM 485 CA HIS A 31 -6.314 -13.424 1.868 1.00 0.00 C ATOM 486 C HIS A 31 -5.093 -12.684 1.318 1.00 0.00 C ATOM 487 O HIS A 31 -4.452 -11.918 2.036 1.00 0.00 O ATOM 488 CB HIS A 31 -6.025 -14.892 2.186 1.00 0.00 C ATOM 489 CG HIS A 31 -4.809 -15.104 3.055 1.00 0.00 C ATOM 490 ND1 HIS A 31 -3.772 -15.951 2.701 1.00 0.00 N ATOM 491 CD2 HIS A 31 -4.474 -14.571 4.265 1.00 0.00 C ATOM 492 CE1 HIS A 31 -2.861 -15.921 3.663 1.00 0.00 C ATOM 493 NE2 HIS A 31 -3.298 -15.065 4.631 1.00 0.00 N ATOM 0 H HIS A 31 -7.139 -13.188 -0.045 1.00 0.00 H new ATOM 0 HA HIS A 31 -6.584 -12.955 2.814 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -6.894 -15.323 2.683 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -5.890 -15.436 1.251 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -5.066 -13.866 4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.935 -16.477 3.678 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.802 -14.841 5.494 1.00 0.00 H new ATOM 501 N VAL A 32 -4.807 -12.940 0.050 1.00 0.00 N ATOM 502 CA VAL A 32 -3.674 -12.308 -0.604 1.00 0.00 C ATOM 503 C VAL A 32 -4.169 -11.137 -1.454 1.00 0.00 C ATOM 504 O VAL A 32 -4.894 -11.335 -2.428 1.00 0.00 O ATOM 505 CB VAL A 32 -2.891 -13.345 -1.412 1.00 0.00 C ATOM 506 CG1 VAL A 32 -1.678 -12.708 -2.093 1.00 0.00 C ATOM 507 CG2 VAL A 32 -2.470 -14.523 -0.532 1.00 0.00 C ATOM 0 H VAL A 32 -5.340 -13.577 -0.542 1.00 0.00 H new ATOM 0 HA VAL A 32 -2.983 -11.903 0.136 1.00 0.00 H new ATOM 0 HB VAL A 32 -3.550 -13.728 -2.191 1.00 0.00 H new ATOM 0 HG11 VAL A 32 -1.139 -13.467 -2.660 1.00 0.00 H new ATOM 0 HG12 VAL A 32 -2.012 -11.919 -2.767 1.00 0.00 H new ATOM 0 HG13 VAL A 32 -1.018 -12.283 -1.337 1.00 0.00 H new ATOM 0 HG21 VAL A 32 -1.915 -15.245 -1.131 1.00 0.00 H new ATOM 0 HG22 VAL A 32 -1.838 -14.163 0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 32 -3.357 -15.002 -0.116 1.00 0.00 H new ATOM 517 N PRO A 33 -3.748 -9.910 -1.044 1.00 0.00 N ATOM 518 CA PRO A 33 -4.141 -8.707 -1.756 1.00 0.00 C ATOM 519 C PRO A 33 -3.369 -8.571 -3.070 1.00 0.00 C ATOM 520 O PRO A 33 -2.563 -9.435 -3.413 1.00 0.00 O ATOM 521 CB PRO A 33 -3.868 -7.568 -0.787 1.00 0.00 C ATOM 522 CG PRO A 33 -2.905 -8.125 0.249 1.00 0.00 C ATOM 523 CD PRO A 33 -2.889 -9.638 0.105 1.00 0.00 C ATOM 0 HA PRO A 33 -5.190 -8.718 -2.052 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -3.434 -6.712 -1.303 1.00 0.00 H new ATOM 0 HB3 PRO A 33 -4.790 -7.224 -0.318 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -1.905 -7.717 0.099 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -3.218 -7.840 1.253 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.878 -10.009 -0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -3.265 -10.125 1.005 1.00 0.00 H new ATOM 531 N VAL A 34 -3.643 -7.480 -3.771 1.00 0.00 N ATOM 532 CA VAL A 34 -2.984 -7.220 -5.039 1.00 0.00 C ATOM 533 C VAL A 34 -2.370 -5.819 -5.013 1.00 0.00 C ATOM 534 O VAL A 34 -1.176 -5.655 -5.260 1.00 0.00 O ATOM 535 CB VAL A 34 -3.970 -7.419 -6.192 1.00 0.00 C ATOM 536 CG1 VAL A 34 -3.285 -7.207 -7.543 1.00 0.00 C ATOM 537 CG2 VAL A 34 -4.626 -8.799 -6.120 1.00 0.00 C ATOM 0 H VAL A 34 -4.313 -6.766 -3.484 1.00 0.00 H new ATOM 0 HA VAL A 34 -2.171 -7.928 -5.198 1.00 0.00 H new ATOM 0 HB VAL A 34 -4.755 -6.669 -6.094 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -4.008 -7.355 -8.345 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.888 -6.193 -7.594 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.470 -7.922 -7.654 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -5.322 -8.915 -6.951 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.858 -9.570 -6.180 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -5.166 -8.897 -5.178 1.00 0.00 H new ATOM 547 N LYS A 35 -3.215 -4.843 -4.710 1.00 0.00 N ATOM 548 CA LYS A 35 -2.770 -3.461 -4.648 1.00 0.00 C ATOM 549 C LYS A 35 -3.247 -2.835 -3.336 1.00 0.00 C ATOM 550 O LYS A 35 -4.316 -3.178 -2.833 1.00 0.00 O ATOM 551 CB LYS A 35 -3.222 -2.697 -5.894 1.00 0.00 C ATOM 552 CG LYS A 35 -2.385 -3.092 -7.113 1.00 0.00 C ATOM 553 CD LYS A 35 -2.997 -2.537 -8.401 1.00 0.00 C ATOM 554 CE LYS A 35 -4.021 -3.513 -8.986 1.00 0.00 C ATOM 555 NZ LYS A 35 -3.365 -4.453 -9.922 1.00 0.00 N ATOM 0 H LYS A 35 -4.204 -4.982 -4.505 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.681 -3.410 -4.649 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -4.275 -2.902 -6.089 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -3.133 -1.625 -5.720 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.368 -2.716 -6.998 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -2.318 -4.178 -7.176 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -3.477 -1.580 -8.197 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -2.209 -2.350 -9.131 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -4.503 -4.069 -8.182 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -4.804 -2.960 -9.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -4.074 -5.108 -10.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -2.925 -3.919 -10.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -2.634 -4.993 -9.416 1.00 0.00 H new ATOM 569 N ARG A 36 -2.431 -1.928 -2.819 1.00 0.00 N ATOM 570 CA ARG A 36 -2.756 -1.252 -1.575 1.00 0.00 C ATOM 571 C ARG A 36 -2.108 0.134 -1.540 1.00 0.00 C ATOM 572 O ARG A 36 -0.905 0.266 -1.758 1.00 0.00 O ATOM 573 CB ARG A 36 -2.280 -2.061 -0.367 1.00 0.00 C ATOM 574 CG ARG A 36 -2.781 -3.505 -0.443 1.00 0.00 C ATOM 575 CD ARG A 36 -2.420 -4.277 0.828 1.00 0.00 C ATOM 576 NE ARG A 36 -1.372 -3.552 1.581 1.00 0.00 N ATOM 577 CZ ARG A 36 -0.341 -4.147 2.196 1.00 0.00 C ATOM 578 NH1 ARG A 36 -0.213 -5.480 2.151 1.00 0.00 N ATOM 579 NH2 ARG A 36 0.562 -3.409 2.856 1.00 0.00 N ATOM 0 H ARG A 36 -1.545 -1.646 -3.239 1.00 0.00 H new ATOM 0 HA ARG A 36 -3.840 -1.152 -1.525 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -1.191 -2.052 -0.325 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -2.638 -1.596 0.551 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -3.862 -3.512 -0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -2.344 -4.000 -1.310 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -3.306 -4.403 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -2.068 -5.276 0.569 1.00 0.00 H new ATOM 0 HE ARG A 36 -1.439 -2.536 1.635 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -0.900 -6.042 1.649 1.00 0.00 H new ATOM 0 HH12 ARG A 36 0.572 -5.933 2.619 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.464 -2.394 2.890 1.00 0.00 H new ATOM 0 HH22 ARG A 36 1.347 -3.862 3.324 1.00 0.00 H new ATOM 593 N GLY A 37 -2.934 1.132 -1.263 1.00 0.00 N ATOM 594 CA GLY A 37 -2.457 2.502 -1.196 1.00 0.00 C ATOM 595 C GLY A 37 -3.468 3.401 -0.482 1.00 0.00 C ATOM 596 O GLY A 37 -4.347 2.913 0.226 1.00 0.00 O ATOM 0 H GLY A 37 -3.931 1.019 -1.082 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -1.503 2.533 -0.670 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.278 2.878 -2.203 1.00 0.00 H new ATOM 600 N CYS A 38 -3.310 4.700 -0.693 1.00 0.00 N ATOM 601 CA CYS A 38 -4.198 5.672 -0.078 1.00 0.00 C ATOM 602 C CYS A 38 -5.312 6.002 -1.075 1.00 0.00 C ATOM 603 O CYS A 38 -5.222 5.651 -2.250 1.00 0.00 O ATOM 604 CB CYS A 38 -3.443 6.924 0.370 1.00 0.00 C ATOM 605 SG CYS A 38 -2.337 6.680 1.807 1.00 0.00 S ATOM 0 H CYS A 38 -2.580 5.102 -1.281 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.635 5.249 0.827 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -2.851 7.293 -0.468 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -4.168 7.700 0.615 1.00 0.00 H new ATOM 610 N ILE A 39 -6.335 6.674 -0.568 1.00 0.00 N ATOM 611 CA ILE A 39 -7.464 7.056 -1.399 1.00 0.00 C ATOM 612 C ILE A 39 -8.296 8.112 -0.667 1.00 0.00 C ATOM 613 O ILE A 39 -8.229 8.222 0.556 1.00 0.00 O ATOM 614 CB ILE A 39 -8.266 5.821 -1.814 1.00 0.00 C ATOM 615 CG1 ILE A 39 -9.020 6.072 -3.122 1.00 0.00 C ATOM 616 CG2 ILE A 39 -9.201 5.371 -0.690 1.00 0.00 C ATOM 617 CD1 ILE A 39 -9.286 4.759 -3.861 1.00 0.00 C ATOM 0 H ILE A 39 -6.406 6.964 0.407 1.00 0.00 H new ATOM 0 HA ILE A 39 -7.117 7.509 -2.328 1.00 0.00 H new ATOM 0 HB ILE A 39 -7.567 5.005 -1.997 1.00 0.00 H new ATOM 0 HG12 ILE A 39 -9.965 6.573 -2.911 1.00 0.00 H new ATOM 0 HG13 ILE A 39 -8.440 6.741 -3.758 1.00 0.00 H new ATOM 0 HG21 ILE A 39 -9.759 4.492 -1.011 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -8.614 5.125 0.195 1.00 0.00 H new ATOM 0 HG23 ILE A 39 -9.897 6.175 -0.452 1.00 0.00 H new ATOM 0 HD11 ILE A 39 -9.823 4.965 -4.787 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -8.338 4.273 -4.092 1.00 0.00 H new ATOM 0 HD13 ILE A 39 -9.887 4.102 -3.232 1.00 0.00 H new ATOM 629 N ASP A 40 -9.061 8.861 -1.447 1.00 0.00 N ATOM 630 CA ASP A 40 -9.904 9.904 -0.889 1.00 0.00 C ATOM 631 C ASP A 40 -11.358 9.428 -0.880 1.00 0.00 C ATOM 632 O ASP A 40 -12.030 9.493 0.148 1.00 0.00 O ATOM 633 CB ASP A 40 -9.830 11.181 -1.728 1.00 0.00 C ATOM 634 CG ASP A 40 -10.069 10.985 -3.227 1.00 0.00 C ATOM 635 OD1 ASP A 40 -9.164 10.417 -3.875 1.00 0.00 O ATOM 636 OD2 ASP A 40 -11.150 11.407 -3.689 1.00 0.00 O ATOM 0 H ASP A 40 -9.115 8.766 -2.461 1.00 0.00 H new ATOM 0 HA ASP A 40 -9.553 10.116 0.121 1.00 0.00 H new ATOM 0 HB2 ASP A 40 -10.565 11.891 -1.348 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -8.848 11.633 -1.588 1.00 0.00 H new ATOM 641 N VAL A 41 -11.801 8.960 -2.038 1.00 0.00 N ATOM 642 CA VAL A 41 -13.163 8.473 -2.176 1.00 0.00 C ATOM 643 C VAL A 41 -13.138 6.961 -2.407 1.00 0.00 C ATOM 644 O VAL A 41 -12.460 6.478 -3.313 1.00 0.00 O ATOM 645 CB VAL A 41 -13.881 9.236 -3.291 1.00 0.00 C ATOM 646 CG1 VAL A 41 -13.397 8.778 -4.669 1.00 0.00 C ATOM 647 CG2 VAL A 41 -15.399 9.090 -3.167 1.00 0.00 C ATOM 0 H VAL A 41 -11.241 8.908 -2.889 1.00 0.00 H new ATOM 0 HA VAL A 41 -13.728 8.653 -1.261 1.00 0.00 H new ATOM 0 HB VAL A 41 -13.637 10.293 -3.184 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -13.923 9.336 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -12.326 8.958 -4.757 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -13.597 7.713 -4.790 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -15.885 9.642 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -15.670 8.036 -3.235 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -15.725 9.488 -2.206 1.00 0.00 H new ATOM 657 N CYS A 42 -13.886 6.254 -1.572 1.00 0.00 N ATOM 658 CA CYS A 42 -13.958 4.807 -1.674 1.00 0.00 C ATOM 659 C CYS A 42 -14.849 4.453 -2.867 1.00 0.00 C ATOM 660 O CYS A 42 -16.040 4.761 -2.870 1.00 0.00 O ATOM 661 CB CYS A 42 -14.464 4.173 -0.377 1.00 0.00 C ATOM 662 SG CYS A 42 -14.472 2.343 -0.369 1.00 0.00 S ATOM 0 H CYS A 42 -14.447 6.657 -0.822 1.00 0.00 H new ATOM 0 HA CYS A 42 -12.959 4.401 -1.834 1.00 0.00 H new ATOM 0 HB2 CYS A 42 -13.844 4.523 0.448 1.00 0.00 H new ATOM 0 HB3 CYS A 42 -15.477 4.528 -0.187 1.00 0.00 H new ATOM 667 N PRO A 43 -14.221 3.794 -3.877 1.00 0.00 N ATOM 668 CA PRO A 43 -14.944 3.395 -5.073 1.00 0.00 C ATOM 669 C PRO A 43 -15.840 2.186 -4.795 1.00 0.00 C ATOM 670 O PRO A 43 -15.665 1.497 -3.791 1.00 0.00 O ATOM 671 CB PRO A 43 -13.866 3.110 -6.107 1.00 0.00 C ATOM 672 CG PRO A 43 -12.579 2.909 -5.324 1.00 0.00 C ATOM 673 CD PRO A 43 -12.812 3.412 -3.908 1.00 0.00 C ATOM 0 HA PRO A 43 -15.626 4.167 -5.430 1.00 0.00 H new ATOM 0 HB2 PRO A 43 -14.110 2.223 -6.691 1.00 0.00 H new ATOM 0 HB3 PRO A 43 -13.770 3.938 -6.810 1.00 0.00 H new ATOM 0 HG2 PRO A 43 -12.299 1.856 -5.314 1.00 0.00 H new ATOM 0 HG3 PRO A 43 -11.758 3.453 -5.792 1.00 0.00 H new ATOM 0 HD2 PRO A 43 -12.595 2.638 -3.172 1.00 0.00 H new ATOM 0 HD3 PRO A 43 -12.167 4.260 -3.678 1.00 0.00 H new ATOM 681 N LYS A 44 -16.780 1.965 -5.702 1.00 0.00 N ATOM 682 CA LYS A 44 -17.703 0.851 -5.567 1.00 0.00 C ATOM 683 C LYS A 44 -16.971 -0.454 -5.881 1.00 0.00 C ATOM 684 O LYS A 44 -15.861 -0.436 -6.412 1.00 0.00 O ATOM 685 CB LYS A 44 -18.948 1.080 -6.427 1.00 0.00 C ATOM 686 CG LYS A 44 -20.129 0.255 -5.912 1.00 0.00 C ATOM 687 CD LYS A 44 -21.460 0.874 -6.344 1.00 0.00 C ATOM 688 CE LYS A 44 -22.639 0.015 -5.884 1.00 0.00 C ATOM 689 NZ LYS A 44 -23.920 0.627 -6.301 1.00 0.00 N ATOM 0 H LYS A 44 -16.922 2.539 -6.533 1.00 0.00 H new ATOM 0 HA LYS A 44 -18.062 0.776 -4.540 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -19.209 2.138 -6.421 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -18.735 0.810 -7.461 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -20.058 -0.764 -6.291 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -20.088 0.194 -4.824 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -21.551 1.877 -5.927 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -21.482 0.977 -7.429 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -22.553 -0.986 -6.306 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -22.617 -0.093 -4.800 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -24.710 0.031 -5.981 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -24.007 1.573 -5.878 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -23.945 0.707 -7.338 1.00 0.00 H new ATOM 703 N SER A 45 -17.621 -1.557 -5.540 1.00 0.00 N ATOM 704 CA SER A 45 -17.045 -2.870 -5.778 1.00 0.00 C ATOM 705 C SER A 45 -17.768 -3.555 -6.940 1.00 0.00 C ATOM 706 O SER A 45 -18.852 -3.131 -7.337 1.00 0.00 O ATOM 707 CB SER A 45 -17.116 -3.740 -4.522 1.00 0.00 C ATOM 708 OG SER A 45 -16.069 -3.437 -3.603 1.00 0.00 O ATOM 0 H SER A 45 -18.541 -1.569 -5.101 1.00 0.00 H new ATOM 0 HA SER A 45 -15.994 -2.740 -6.037 1.00 0.00 H new ATOM 0 HB2 SER A 45 -18.080 -3.595 -4.034 1.00 0.00 H new ATOM 0 HB3 SER A 45 -17.057 -4.791 -4.805 1.00 0.00 H new ATOM 0 HG SER A 45 -16.150 -4.012 -2.814 1.00 0.00 H new ATOM 714 N SER A 46 -17.138 -4.602 -7.451 1.00 0.00 N ATOM 715 CA SER A 46 -17.708 -5.350 -8.559 1.00 0.00 C ATOM 716 C SER A 46 -17.755 -6.840 -8.215 1.00 0.00 C ATOM 717 O SER A 46 -17.371 -7.240 -7.117 1.00 0.00 O ATOM 718 CB SER A 46 -16.907 -5.128 -9.844 1.00 0.00 C ATOM 719 OG SER A 46 -15.504 -5.097 -9.600 1.00 0.00 O ATOM 0 H SER A 46 -16.239 -4.950 -7.119 1.00 0.00 H new ATOM 0 HA SER A 46 -18.723 -4.990 -8.728 1.00 0.00 H new ATOM 0 HB2 SER A 46 -17.134 -5.923 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 46 -17.215 -4.190 -10.306 1.00 0.00 H new ATOM 0 HG SER A 46 -15.298 -5.632 -8.805 1.00 0.00 H new ATOM 725 N LEU A 47 -18.230 -7.622 -9.174 1.00 0.00 N ATOM 726 CA LEU A 47 -18.333 -9.059 -8.986 1.00 0.00 C ATOM 727 C LEU A 47 -16.983 -9.708 -9.302 1.00 0.00 C ATOM 728 O LEU A 47 -16.718 -10.833 -8.881 1.00 0.00 O ATOM 729 CB LEU A 47 -19.494 -9.625 -9.806 1.00 0.00 C ATOM 730 CG LEU A 47 -20.897 -9.342 -9.265 1.00 0.00 C ATOM 731 CD1 LEU A 47 -21.284 -7.878 -9.485 1.00 0.00 C ATOM 732 CD2 LEU A 47 -21.922 -10.302 -9.871 1.00 0.00 C ATOM 0 H LEU A 47 -18.548 -7.287 -10.084 1.00 0.00 H new ATOM 0 HA LEU A 47 -18.564 -9.292 -7.947 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -19.428 -9.224 -10.817 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -19.366 -10.705 -9.883 1.00 0.00 H new ATOM 0 HG LEU A 47 -20.890 -9.516 -8.189 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -22.285 -7.703 -9.092 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -20.574 -7.232 -8.969 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -21.269 -7.654 -10.552 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -22.911 -10.079 -9.470 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -21.935 -10.184 -10.954 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -21.652 -11.328 -9.621 1.00 0.00 H new ATOM 744 N LEU A 48 -16.167 -8.971 -10.041 1.00 0.00 N ATOM 745 CA LEU A 48 -14.852 -9.460 -10.418 1.00 0.00 C ATOM 746 C LEU A 48 -13.832 -9.040 -9.358 1.00 0.00 C ATOM 747 O LEU A 48 -13.269 -9.884 -8.664 1.00 0.00 O ATOM 748 CB LEU A 48 -14.494 -9.000 -11.832 1.00 0.00 C ATOM 749 CG LEU A 48 -13.468 -9.857 -12.577 1.00 0.00 C ATOM 750 CD1 LEU A 48 -13.361 -9.432 -14.043 1.00 0.00 C ATOM 751 CD2 LEU A 48 -12.112 -9.826 -11.871 1.00 0.00 C ATOM 0 H LEU A 48 -16.391 -8.039 -10.389 1.00 0.00 H new ATOM 0 HA LEU A 48 -14.847 -10.549 -10.451 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.408 -8.967 -12.424 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -14.113 -7.980 -11.775 1.00 0.00 H new ATOM 0 HG LEU A 48 -13.813 -10.891 -12.565 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.625 -10.056 -14.550 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -14.331 -9.548 -14.527 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -13.051 -8.389 -14.098 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.401 -10.443 -12.421 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -11.746 -8.800 -11.830 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -12.220 -10.213 -10.858 1.00 0.00 H new ATOM 763 N VAL A 49 -13.627 -7.734 -9.266 1.00 0.00 N ATOM 764 CA VAL A 49 -12.685 -7.191 -8.302 1.00 0.00 C ATOM 765 C VAL A 49 -13.449 -6.696 -7.072 1.00 0.00 C ATOM 766 O VAL A 49 -14.663 -6.505 -7.126 1.00 0.00 O ATOM 767 CB VAL A 49 -11.836 -6.099 -8.957 1.00 0.00 C ATOM 768 CG1 VAL A 49 -12.668 -4.843 -9.223 1.00 0.00 C ATOM 769 CG2 VAL A 49 -10.608 -5.773 -8.104 1.00 0.00 C ATOM 0 H VAL A 49 -14.097 -7.036 -9.843 1.00 0.00 H new ATOM 0 HA VAL A 49 -11.994 -7.964 -7.967 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.486 -6.478 -9.917 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -12.041 -4.083 -9.689 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -13.495 -5.089 -9.889 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -13.062 -4.461 -8.281 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.022 -4.994 -8.592 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -10.929 -5.424 -7.123 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -9.997 -6.668 -7.989 1.00 0.00 H new ATOM 779 N LYS A 50 -12.706 -6.503 -5.992 1.00 0.00 N ATOM 780 CA LYS A 50 -13.299 -6.035 -4.750 1.00 0.00 C ATOM 781 C LYS A 50 -12.387 -4.978 -4.122 1.00 0.00 C ATOM 782 O LYS A 50 -11.210 -5.236 -3.876 1.00 0.00 O ATOM 783 CB LYS A 50 -13.604 -7.213 -3.824 1.00 0.00 C ATOM 784 CG LYS A 50 -15.111 -7.450 -3.716 1.00 0.00 C ATOM 785 CD LYS A 50 -15.433 -8.425 -2.581 1.00 0.00 C ATOM 786 CE LYS A 50 -16.899 -8.862 -2.633 1.00 0.00 C ATOM 787 NZ LYS A 50 -17.200 -9.799 -1.528 1.00 0.00 N ATOM 0 H LYS A 50 -11.699 -6.662 -5.951 1.00 0.00 H new ATOM 0 HA LYS A 50 -14.259 -5.555 -4.943 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -13.117 -8.112 -4.201 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -13.191 -7.018 -2.834 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -15.620 -6.502 -3.541 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -15.489 -7.846 -4.659 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -14.786 -9.299 -2.653 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -15.224 -7.953 -1.621 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -17.548 -7.989 -2.564 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -17.108 -9.340 -3.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -18.198 -10.086 -1.578 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -16.594 -10.640 -1.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -17.019 -9.331 -0.617 1.00 0.00 H new ATOM 801 N TYR A 51 -12.966 -3.811 -3.881 1.00 0.00 N ATOM 802 CA TYR A 51 -12.221 -2.715 -3.286 1.00 0.00 C ATOM 803 C TYR A 51 -12.744 -2.393 -1.885 1.00 0.00 C ATOM 804 O TYR A 51 -13.723 -1.662 -1.737 1.00 0.00 O ATOM 805 CB TYR A 51 -12.452 -1.506 -4.194 1.00 0.00 C ATOM 806 CG TYR A 51 -11.424 -1.366 -5.319 1.00 0.00 C ATOM 807 CD1 TYR A 51 -11.645 -1.977 -6.536 1.00 0.00 C ATOM 808 CD2 TYR A 51 -10.274 -0.630 -5.115 1.00 0.00 C ATOM 809 CE1 TYR A 51 -10.677 -1.845 -7.594 1.00 0.00 C ATOM 810 CE2 TYR A 51 -9.306 -0.499 -6.173 1.00 0.00 C ATOM 811 CZ TYR A 51 -9.556 -1.113 -7.360 1.00 0.00 C ATOM 812 OH TYR A 51 -8.641 -0.989 -8.360 1.00 0.00 O ATOM 0 H TYR A 51 -13.943 -3.601 -4.087 1.00 0.00 H new ATOM 0 HA TYR A 51 -11.166 -2.974 -3.194 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -13.447 -1.579 -4.632 1.00 0.00 H new ATOM 0 HB3 TYR A 51 -12.437 -0.601 -3.587 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -12.544 -2.554 -6.695 1.00 0.00 H new ATOM 0 HD2 TYR A 51 -10.100 -0.153 -4.162 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -10.838 -2.317 -8.552 1.00 0.00 H new ATOM 0 HE2 TYR A 51 -8.402 0.074 -6.027 1.00 0.00 H new ATOM 0 HH TYR A 51 -8.175 -1.842 -8.485 1.00 0.00 H new ATOM 822 N VAL A 52 -12.069 -2.953 -0.892 1.00 0.00 N ATOM 823 CA VAL A 52 -12.453 -2.734 0.492 1.00 0.00 C ATOM 824 C VAL A 52 -11.623 -1.588 1.072 1.00 0.00 C ATOM 825 O VAL A 52 -10.395 -1.608 1.001 1.00 0.00 O ATOM 826 CB VAL A 52 -12.314 -4.035 1.285 1.00 0.00 C ATOM 827 CG1 VAL A 52 -12.482 -3.783 2.785 1.00 0.00 C ATOM 828 CG2 VAL A 52 -13.308 -5.088 0.792 1.00 0.00 C ATOM 0 H VAL A 52 -11.258 -3.558 -1.019 1.00 0.00 H new ATOM 0 HA VAL A 52 -13.501 -2.440 0.556 1.00 0.00 H new ATOM 0 HB VAL A 52 -11.308 -4.421 1.120 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -12.379 -4.724 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -11.718 -3.084 3.124 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -13.469 -3.362 2.975 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -13.187 -6.002 1.373 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -14.324 -4.713 0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -13.121 -5.300 -0.261 1.00 0.00 H new ATOM 838 N CYS A 53 -12.326 -0.615 1.633 1.00 0.00 N ATOM 839 CA CYS A 53 -11.670 0.537 2.226 1.00 0.00 C ATOM 840 C CYS A 53 -11.889 0.490 3.739 1.00 0.00 C ATOM 841 O CYS A 53 -12.793 -0.192 4.218 1.00 0.00 O ATOM 842 CB CYS A 53 -12.171 1.849 1.617 1.00 0.00 C ATOM 843 SG CYS A 53 -12.560 1.766 -0.169 1.00 0.00 S ATOM 0 H CYS A 53 -13.344 -0.601 1.689 1.00 0.00 H new ATOM 0 HA CYS A 53 -10.602 0.499 2.014 1.00 0.00 H new ATOM 0 HB2 CYS A 53 -13.065 2.165 2.155 1.00 0.00 H new ATOM 0 HB3 CYS A 53 -11.415 2.618 1.775 1.00 0.00 H new ATOM 848 N CYS A 54 -11.046 1.224 4.450 1.00 0.00 N ATOM 849 CA CYS A 54 -11.136 1.275 5.900 1.00 0.00 C ATOM 850 C CYS A 54 -10.629 2.641 6.365 1.00 0.00 C ATOM 851 O CYS A 54 -9.779 3.247 5.715 1.00 0.00 O ATOM 852 CB CYS A 54 -10.365 0.127 6.555 1.00 0.00 C ATOM 853 SG CYS A 54 -8.815 -0.342 5.702 1.00 0.00 S ATOM 0 H CYS A 54 -10.297 1.789 4.049 1.00 0.00 H new ATOM 0 HA CYS A 54 -12.174 1.150 6.207 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -10.128 0.406 7.582 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -11.015 -0.747 6.604 1.00 0.00 H new ATOM 858 N ASN A 55 -11.173 3.087 7.488 1.00 0.00 N ATOM 859 CA ASN A 55 -10.787 4.371 8.049 1.00 0.00 C ATOM 860 C ASN A 55 -9.925 4.141 9.292 1.00 0.00 C ATOM 861 O ASN A 55 -10.104 4.812 10.308 1.00 0.00 O ATOM 862 CB ASN A 55 -12.015 5.181 8.468 1.00 0.00 C ATOM 863 CG ASN A 55 -12.884 4.391 9.449 1.00 0.00 C ATOM 864 OD1 ASN A 55 -13.502 3.395 9.109 1.00 0.00 O ATOM 865 ND2 ASN A 55 -12.897 4.889 10.682 1.00 0.00 N ATOM 0 H ASN A 55 -11.878 2.582 8.025 1.00 0.00 H new ATOM 0 HA ASN A 55 -10.236 4.921 7.286 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -11.698 6.116 8.929 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -12.601 5.442 7.587 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -13.447 4.434 11.410 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -12.357 5.726 10.900 1.00 0.00 H new ATOM 872 N THR A 56 -9.009 3.192 9.170 1.00 0.00 N ATOM 873 CA THR A 56 -8.118 2.866 10.271 1.00 0.00 C ATOM 874 C THR A 56 -6.674 2.761 9.777 1.00 0.00 C ATOM 875 O THR A 56 -6.434 2.415 8.621 1.00 0.00 O ATOM 876 CB THR A 56 -8.630 1.583 10.929 1.00 0.00 C ATOM 877 OG1 THR A 56 -9.189 0.839 9.850 1.00 0.00 O ATOM 878 CG2 THR A 56 -9.817 1.836 11.861 1.00 0.00 C ATOM 0 H THR A 56 -8.864 2.638 8.326 1.00 0.00 H new ATOM 0 HA THR A 56 -8.114 3.655 11.023 1.00 0.00 H new ATOM 0 HB THR A 56 -7.821 1.115 11.490 1.00 0.00 H new ATOM 0 HG1 THR A 56 -9.544 -0.010 10.187 1.00 0.00 H new ATOM 0 HG21 THR A 56 -10.141 0.893 12.302 1.00 0.00 H new ATOM 0 HG22 THR A 56 -9.518 2.523 12.653 1.00 0.00 H new ATOM 0 HG23 THR A 56 -10.639 2.273 11.293 1.00 0.00 H new ATOM 886 N ASP A 57 -5.751 3.067 10.676 1.00 0.00 N ATOM 887 CA ASP A 57 -4.337 3.012 10.346 1.00 0.00 C ATOM 888 C ASP A 57 -3.904 1.550 10.220 1.00 0.00 C ATOM 889 O ASP A 57 -4.450 0.677 10.894 1.00 0.00 O ATOM 890 CB ASP A 57 -3.490 3.663 11.440 1.00 0.00 C ATOM 891 CG ASP A 57 -3.709 5.167 11.619 1.00 0.00 C ATOM 892 OD1 ASP A 57 -4.643 5.518 12.372 1.00 0.00 O ATOM 893 OD2 ASP A 57 -2.938 5.931 10.999 1.00 0.00 O ATOM 0 H ASP A 57 -5.955 3.354 11.633 1.00 0.00 H new ATOM 0 HA ASP A 57 -4.189 3.548 9.409 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.701 3.165 12.386 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.438 3.489 11.216 1.00 0.00 H new ATOM 898 N LYS A 58 -2.927 1.327 9.353 1.00 0.00 N ATOM 899 CA LYS A 58 -2.415 -0.014 9.131 1.00 0.00 C ATOM 900 C LYS A 58 -3.585 -0.998 9.064 1.00 0.00 C ATOM 901 O LYS A 58 -3.545 -2.059 9.685 1.00 0.00 O ATOM 902 CB LYS A 58 -1.371 -0.371 10.190 1.00 0.00 C ATOM 903 CG LYS A 58 -0.229 0.648 10.201 1.00 0.00 C ATOM 904 CD LYS A 58 0.939 0.153 11.055 1.00 0.00 C ATOM 905 CE LYS A 58 0.593 0.210 12.544 1.00 0.00 C ATOM 906 NZ LYS A 58 1.781 -0.114 13.366 1.00 0.00 N ATOM 0 H LYS A 58 -2.477 2.053 8.796 1.00 0.00 H new ATOM 0 HA LYS A 58 -1.896 -0.070 8.174 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -1.842 -0.405 11.173 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -0.973 -1.366 9.992 1.00 0.00 H new ATOM 0 HG2 LYS A 58 0.112 0.828 9.182 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -0.590 1.600 10.589 1.00 0.00 H new ATOM 0 HD2 LYS A 58 1.190 -0.870 10.775 1.00 0.00 H new ATOM 0 HD3 LYS A 58 1.821 0.763 10.859 1.00 0.00 H new ATOM 0 HE2 LYS A 58 0.226 1.204 12.800 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -0.211 -0.493 12.764 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 1.528 -0.071 14.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 2.113 -1.072 13.133 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 2.537 0.572 13.169 1.00 0.00 H new ATOM 920 N CYS A 59 -4.600 -0.610 8.305 1.00 0.00 N ATOM 921 CA CYS A 59 -5.779 -1.445 8.149 1.00 0.00 C ATOM 922 C CYS A 59 -5.658 -2.206 6.828 1.00 0.00 C ATOM 923 O CYS A 59 -5.882 -3.414 6.780 1.00 0.00 O ATOM 924 CB CYS A 59 -7.067 -0.622 8.218 1.00 0.00 C ATOM 925 SG CYS A 59 -7.354 0.476 6.782 1.00 0.00 S ATOM 0 H CYS A 59 -4.630 0.271 7.792 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.835 -2.157 8.973 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -7.913 -1.304 8.311 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -7.046 -0.015 9.123 1.00 0.00 H new ATOM 930 N ASN A 60 -5.303 -1.467 5.787 1.00 0.00 N ATOM 931 CA ASN A 60 -5.149 -2.057 4.468 1.00 0.00 C ATOM 932 C ASN A 60 -3.791 -2.756 4.382 1.00 0.00 C ATOM 933 O ASN A 60 -2.999 -2.699 5.321 1.00 0.00 O ATOM 934 CB ASN A 60 -5.199 -0.986 3.376 1.00 0.00 C ATOM 935 CG ASN A 60 -3.894 -0.189 3.330 1.00 0.00 C ATOM 936 OD1 ASN A 60 -3.208 -0.014 4.323 1.00 0.00 O ATOM 937 ND2 ASN A 60 -3.592 0.283 2.124 1.00 0.00 N ATOM 0 H ASN A 60 -5.118 -0.465 5.830 1.00 0.00 H new ATOM 0 HA ASN A 60 -5.965 -2.764 4.318 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -5.377 -1.456 2.409 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -6.035 -0.311 3.561 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -2.741 0.829 1.988 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -4.211 0.099 1.335 1.00 0.00 H new TER 944 ASN A 60 HETATM 945 O HOH A 61 -6.384 -11.563 -4.482 1.00 0.00 O HETATM 948 O HOH A 62 -11.417 -18.250 -1.107 1.00 0.00 O