USER MOD reduce.3.24.130724 H: found=0, std=0, add=476, rem=0, adj=9 USER MOD reduce.3.24.130724 removed 435 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 2 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.535) 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+ -160:sc= 1.16 (180deg=0.866) USER MOD Single : A 19 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 22 TYR OH : rot 180:sc=-0.00193 USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 31 HIS : no HD1:sc= -0.119 X(o=-0.12,f=-0.24) 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 170:sc= -0.911 USER MOD Single : A 46 SER OG : rot -32:sc= 1.31 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 ASN : amide:sc= -0.16 K(o=-0.16,f=-2.8!) USER MOD Single : A 56 THR OG1 : rot 180:sc= -3.1! USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 ASN : amide:sc= -2.73! C(o=-2.7!,f=-6.2!) USER MOD ----------------------------------------------------------------- ATOM 18 N LYS A 2 -12.024 4.503 -0.893 1.00 0.00 N ATOM 19 CA LYS A 2 -12.211 3.235 -0.209 1.00 0.00 C ATOM 20 C LYS A 2 -11.222 2.209 -0.768 1.00 0.00 C ATOM 21 O LYS A 2 -11.002 2.149 -1.976 1.00 0.00 O ATOM 22 CB LYS A 2 -13.672 2.790 -0.294 1.00 0.00 C ATOM 23 CG LYS A 2 -14.044 2.398 -1.726 1.00 0.00 C ATOM 24 CD LYS A 2 -15.513 1.980 -1.816 1.00 0.00 C ATOM 25 CE LYS A 2 -15.868 1.529 -3.234 1.00 0.00 C ATOM 26 NZ LYS A 2 -16.799 0.379 -3.194 1.00 0.00 N ATOM 0 HA LYS A 2 -11.996 3.340 0.854 1.00 0.00 H new ATOM 0 HB2 LYS A 2 -13.837 1.944 0.373 1.00 0.00 H new ATOM 0 HB3 LYS A 2 -14.322 3.596 0.047 1.00 0.00 H new ATOM 0 HG2 LYS A 2 -13.859 3.238 -2.396 1.00 0.00 H new ATOM 0 HG3 LYS A 2 -13.408 1.578 -2.059 1.00 0.00 H new ATOM 0 HD2 LYS A 2 -15.708 1.170 -1.113 1.00 0.00 H new ATOM 0 HD3 LYS A 2 -16.151 2.815 -1.525 1.00 0.00 H new ATOM 0 HE2 LYS A 2 -16.323 2.354 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 2 -14.961 1.252 -3.772 1.00 0.00 H new ATOM 0 HZ1 LYS A 2 -17.030 0.085 -4.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 2 -16.351 -0.413 -2.690 1.00 0.00 H new ATOM 0 HZ3 LYS A 2 -17.671 0.655 -2.699 1.00 0.00 H new ATOM 39 N CYS A 3 -10.653 1.428 0.139 1.00 0.00 N ATOM 40 CA CYS A 3 -9.694 0.408 -0.248 1.00 0.00 C ATOM 41 C CYS A 3 -9.940 -0.834 0.610 1.00 0.00 C ATOM 42 O CYS A 3 -10.870 -0.862 1.415 1.00 0.00 O ATOM 43 CB CYS A 3 -8.254 0.911 -0.125 1.00 0.00 C ATOM 44 SG CYS A 3 -7.603 1.749 -1.616 1.00 0.00 S ATOM 0 H CYS A 3 -10.838 1.481 1.141 1.00 0.00 H new ATOM 0 HA CYS A 3 -9.833 0.155 -1.299 1.00 0.00 H new ATOM 0 HB2 CYS A 3 -8.196 1.601 0.717 1.00 0.00 H new ATOM 0 HB3 CYS A 3 -7.608 0.066 0.111 1.00 0.00 H new ATOM 49 N LYS A 4 -9.091 -1.831 0.410 1.00 0.00 N ATOM 50 CA LYS A 4 -9.205 -3.072 1.155 1.00 0.00 C ATOM 51 C LYS A 4 -8.352 -2.981 2.423 1.00 0.00 C ATOM 52 O LYS A 4 -7.258 -2.421 2.400 1.00 0.00 O ATOM 53 CB LYS A 4 -8.856 -4.266 0.264 1.00 0.00 C ATOM 54 CG LYS A 4 -9.999 -4.580 -0.704 1.00 0.00 C ATOM 55 CD LYS A 4 -10.905 -5.679 -0.144 1.00 0.00 C ATOM 56 CE LYS A 4 -12.361 -5.450 -0.555 1.00 0.00 C ATOM 57 NZ LYS A 4 -13.276 -6.168 0.360 1.00 0.00 N ATOM 0 H LYS A 4 -8.321 -1.804 -0.258 1.00 0.00 H new ATOM 0 HA LYS A 4 -10.235 -3.232 1.474 1.00 0.00 H new ATOM 0 HB2 LYS A 4 -7.947 -4.052 -0.298 1.00 0.00 H new ATOM 0 HB3 LYS A 4 -8.649 -5.139 0.884 1.00 0.00 H new ATOM 0 HG2 LYS A 4 -10.584 -3.679 -0.886 1.00 0.00 H new ATOM 0 HG3 LYS A 4 -9.591 -4.894 -1.665 1.00 0.00 H new ATOM 0 HD2 LYS A 4 -10.570 -6.651 -0.505 1.00 0.00 H new ATOM 0 HD3 LYS A 4 -10.829 -5.699 0.943 1.00 0.00 H new ATOM 0 HE2 LYS A 4 -12.586 -4.384 -0.541 1.00 0.00 H new ATOM 0 HE3 LYS A 4 -12.515 -5.795 -1.578 1.00 0.00 H new ATOM 0 HZ1 LYS A 4 -14.045 -6.602 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 4 -12.750 -6.909 0.866 1.00 0.00 H new ATOM 0 HZ3 LYS A 4 -13.676 -5.498 1.047 1.00 0.00 H new ATOM 70 N LYS A 5 -8.887 -3.541 3.498 1.00 0.00 N ATOM 71 CA LYS A 5 -8.189 -3.530 4.773 1.00 0.00 C ATOM 72 C LYS A 5 -7.187 -4.686 4.811 1.00 0.00 C ATOM 73 O LYS A 5 -6.979 -5.364 3.806 1.00 0.00 O ATOM 74 CB LYS A 5 -9.189 -3.543 5.931 1.00 0.00 C ATOM 75 CG LYS A 5 -9.905 -2.197 6.053 1.00 0.00 C ATOM 76 CD LYS A 5 -8.972 -1.130 6.628 1.00 0.00 C ATOM 77 CE LYS A 5 -9.179 -0.976 8.137 1.00 0.00 C ATOM 78 NZ LYS A 5 -7.877 -0.828 8.826 1.00 0.00 N ATOM 0 H LYS A 5 -9.795 -4.005 3.513 1.00 0.00 H new ATOM 0 HA LYS A 5 -7.617 -2.609 4.887 1.00 0.00 H new ATOM 0 HB2 LYS A 5 -9.921 -4.335 5.775 1.00 0.00 H new ATOM 0 HB3 LYS A 5 -8.669 -3.768 6.862 1.00 0.00 H new ATOM 0 HG2 LYS A 5 -10.264 -1.882 5.073 1.00 0.00 H new ATOM 0 HG3 LYS A 5 -10.780 -2.303 6.694 1.00 0.00 H new ATOM 0 HD2 LYS A 5 -7.936 -1.400 6.425 1.00 0.00 H new ATOM 0 HD3 LYS A 5 -9.155 -0.176 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 5 -9.804 -0.106 8.337 1.00 0.00 H new ATOM 0 HE3 LYS A 5 -9.708 -1.845 8.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 5 -8.035 -0.725 9.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 5 -7.293 -1.670 8.649 1.00 0.00 H new ATOM 0 HZ3 LYS A 5 -7.387 0.015 8.465 1.00 0.00 H new ATOM 91 N LEU A 6 -6.595 -4.874 5.980 1.00 0.00 N ATOM 92 CA LEU A 6 -5.620 -5.936 6.163 1.00 0.00 C ATOM 93 C LEU A 6 -6.109 -7.199 5.451 1.00 0.00 C ATOM 94 O LEU A 6 -5.527 -7.618 4.451 1.00 0.00 O ATOM 95 CB LEU A 6 -5.325 -6.144 7.650 1.00 0.00 C ATOM 96 CG LEU A 6 -4.174 -5.318 8.227 1.00 0.00 C ATOM 97 CD1 LEU A 6 -4.657 -3.933 8.662 1.00 0.00 C ATOM 98 CD2 LEU A 6 -3.479 -6.066 9.366 1.00 0.00 C ATOM 0 H LEU A 6 -6.771 -4.309 6.811 1.00 0.00 H new ATOM 0 HA LEU A 6 -4.668 -5.661 5.709 1.00 0.00 H new ATOM 0 HB2 LEU A 6 -6.229 -5.915 8.215 1.00 0.00 H new ATOM 0 HB3 LEU A 6 -5.106 -7.199 7.813 1.00 0.00 H new ATOM 0 HG LEU A 6 -3.434 -5.169 7.441 1.00 0.00 H new ATOM 0 HD11 LEU A 6 -3.819 -3.367 9.068 1.00 0.00 H new ATOM 0 HD12 LEU A 6 -5.069 -3.405 7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 6 -5.427 -4.040 9.426 1.00 0.00 H new ATOM 0 HD21 LEU A 6 -2.665 -5.457 9.758 1.00 0.00 H new ATOM 0 HD22 LEU A 6 -4.197 -6.267 10.161 1.00 0.00 H new ATOM 0 HD23 LEU A 6 -3.079 -7.008 8.992 1.00 0.00 H new ATOM 108 N VAL A 7 -7.174 -7.771 5.994 1.00 0.00 N ATOM 109 CA VAL A 7 -7.748 -8.978 5.423 1.00 0.00 C ATOM 110 C VAL A 7 -8.689 -8.598 4.278 1.00 0.00 C ATOM 111 O VAL A 7 -9.510 -7.693 4.419 1.00 0.00 O ATOM 112 CB VAL A 7 -8.437 -9.797 6.516 1.00 0.00 C ATOM 113 CG1 VAL A 7 -9.084 -11.055 5.933 1.00 0.00 C ATOM 114 CG2 VAL A 7 -7.457 -10.153 7.635 1.00 0.00 C ATOM 0 H VAL A 7 -7.654 -7.421 6.823 1.00 0.00 H new ATOM 0 HA VAL A 7 -6.966 -9.612 5.004 1.00 0.00 H new ATOM 0 HB VAL A 7 -9.228 -9.182 6.946 1.00 0.00 H new ATOM 0 HG11 VAL A 7 -9.567 -11.619 6.731 1.00 0.00 H new ATOM 0 HG12 VAL A 7 -9.828 -10.770 5.189 1.00 0.00 H new ATOM 0 HG13 VAL A 7 -8.319 -11.673 5.463 1.00 0.00 H new ATOM 0 HG21 VAL A 7 -7.973 -10.735 8.399 1.00 0.00 H new ATOM 0 HG22 VAL A 7 -6.635 -10.740 7.225 1.00 0.00 H new ATOM 0 HG23 VAL A 7 -7.064 -9.238 8.079 1.00 0.00 H new ATOM 122 N PRO A 8 -8.533 -9.327 3.140 1.00 0.00 N ATOM 123 CA PRO A 8 -9.359 -9.075 1.971 1.00 0.00 C ATOM 124 C PRO A 8 -10.773 -9.623 2.171 1.00 0.00 C ATOM 125 O PRO A 8 -11.263 -10.399 1.351 1.00 0.00 O ATOM 126 CB PRO A 8 -8.622 -9.738 0.819 1.00 0.00 C ATOM 127 CG PRO A 8 -7.659 -10.727 1.454 1.00 0.00 C ATOM 128 CD PRO A 8 -7.571 -10.406 2.937 1.00 0.00 C ATOM 0 HA PRO A 8 -9.501 -8.012 1.776 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -9.318 -10.245 0.150 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -8.086 -9.000 0.222 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -8.008 -11.749 1.305 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.676 -10.655 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -7.817 -11.276 3.546 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.564 -10.096 3.216 1.00 0.00 H new ATOM 136 N LEU A 9 -11.389 -9.199 3.264 1.00 0.00 N ATOM 137 CA LEU A 9 -12.737 -9.638 3.582 1.00 0.00 C ATOM 138 C LEU A 9 -13.679 -8.432 3.566 1.00 0.00 C ATOM 139 O LEU A 9 -14.836 -8.548 3.166 1.00 0.00 O ATOM 140 CB LEU A 9 -12.752 -10.413 4.901 1.00 0.00 C ATOM 141 CG LEU A 9 -12.415 -11.902 4.808 1.00 0.00 C ATOM 142 CD1 LEU A 9 -12.438 -12.557 6.191 1.00 0.00 C ATOM 143 CD2 LEU A 9 -13.344 -12.614 3.822 1.00 0.00 C ATOM 0 H LEU A 9 -10.979 -8.556 3.941 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.098 -10.335 2.826 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -12.044 -9.943 5.584 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -13.741 -10.312 5.348 1.00 0.00 H new ATOM 0 HG LEU A 9 -11.400 -11.999 4.422 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -12.195 -13.615 6.096 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -11.704 -12.072 6.835 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -13.431 -12.450 6.628 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -13.083 -13.671 3.775 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.377 -12.510 4.155 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -13.235 -12.169 2.833 1.00 0.00 H new ATOM 153 N PHE A 10 -13.147 -7.301 4.008 1.00 0.00 N ATOM 154 CA PHE A 10 -13.925 -6.075 4.050 1.00 0.00 C ATOM 155 C PHE A 10 -13.086 -4.877 3.601 1.00 0.00 C ATOM 156 O PHE A 10 -11.862 -4.968 3.518 1.00 0.00 O ATOM 157 CB PHE A 10 -14.353 -5.866 5.504 1.00 0.00 C ATOM 158 CG PHE A 10 -14.842 -7.139 6.198 1.00 0.00 C ATOM 159 CD1 PHE A 10 -13.944 -8.006 6.739 1.00 0.00 C ATOM 160 CD2 PHE A 10 -16.173 -7.403 6.274 1.00 0.00 C ATOM 161 CE1 PHE A 10 -14.398 -9.187 7.383 1.00 0.00 C ATOM 162 CE2 PHE A 10 -16.627 -8.585 6.918 1.00 0.00 C ATOM 163 CZ PHE A 10 -15.730 -9.452 7.459 1.00 0.00 C ATOM 0 H PHE A 10 -12.187 -7.209 4.340 1.00 0.00 H new ATOM 0 HA PHE A 10 -14.782 -6.156 3.381 1.00 0.00 H new ATOM 0 HB2 PHE A 10 -13.512 -5.459 6.065 1.00 0.00 H new ATOM 0 HB3 PHE A 10 -15.147 -5.120 5.535 1.00 0.00 H new ATOM 0 HD1 PHE A 10 -12.886 -7.796 6.679 1.00 0.00 H new ATOM 0 HD2 PHE A 10 -16.886 -6.714 5.845 1.00 0.00 H new ATOM 0 HE1 PHE A 10 -13.685 -9.875 7.813 1.00 0.00 H new ATOM 0 HE2 PHE A 10 -17.685 -8.795 6.978 1.00 0.00 H new ATOM 0 HZ PHE A 10 -16.075 -10.351 7.949 1.00 0.00 H new ATOM 173 N SER A 11 -13.777 -3.782 3.322 1.00 0.00 N ATOM 174 CA SER A 11 -13.111 -2.568 2.883 1.00 0.00 C ATOM 175 C SER A 11 -13.473 -1.407 3.812 1.00 0.00 C ATOM 176 O SER A 11 -14.543 -1.403 4.419 1.00 0.00 O ATOM 177 CB SER A 11 -13.483 -2.227 1.439 1.00 0.00 C ATOM 178 OG SER A 11 -14.882 -2.356 1.203 1.00 0.00 O ATOM 0 H SER A 11 -14.792 -3.710 3.391 1.00 0.00 H new ATOM 0 HA SER A 11 -12.035 -2.735 2.923 1.00 0.00 H new ATOM 0 HB2 SER A 11 -13.170 -1.207 1.215 1.00 0.00 H new ATOM 0 HB3 SER A 11 -12.939 -2.883 0.760 1.00 0.00 H new ATOM 0 HG SER A 11 -15.079 -2.128 0.270 1.00 0.00 H new ATOM 184 N LYS A 12 -12.560 -0.450 3.894 1.00 0.00 N ATOM 185 CA LYS A 12 -12.769 0.713 4.740 1.00 0.00 C ATOM 186 C LYS A 12 -12.273 1.963 4.011 1.00 0.00 C ATOM 187 O LYS A 12 -11.334 1.893 3.218 1.00 0.00 O ATOM 188 CB LYS A 12 -12.122 0.503 6.110 1.00 0.00 C ATOM 189 CG LYS A 12 -13.012 1.052 7.227 1.00 0.00 C ATOM 190 CD LYS A 12 -12.173 1.530 8.413 1.00 0.00 C ATOM 191 CE LYS A 12 -13.063 2.079 9.529 1.00 0.00 C ATOM 192 NZ LYS A 12 -12.562 1.646 10.853 1.00 0.00 N ATOM 0 H LYS A 12 -11.674 -0.456 3.389 1.00 0.00 H new ATOM 0 HA LYS A 12 -13.832 0.857 4.934 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -11.943 -0.560 6.272 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -11.151 0.998 6.137 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -13.612 1.878 6.845 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -13.706 0.279 7.556 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.573 0.704 8.795 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -11.479 2.303 8.084 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -13.086 3.168 9.481 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -14.087 1.732 9.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -13.178 2.028 11.599 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -12.562 0.607 10.902 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -11.593 1.999 10.990 1.00 0.00 H new ATOM 205 N THR A 13 -12.925 3.079 4.304 1.00 0.00 N ATOM 206 CA THR A 13 -12.562 4.343 3.687 1.00 0.00 C ATOM 207 C THR A 13 -11.428 5.011 4.467 1.00 0.00 C ATOM 208 O THR A 13 -11.413 4.979 5.697 1.00 0.00 O ATOM 209 CB THR A 13 -13.824 5.202 3.592 1.00 0.00 C ATOM 210 OG1 THR A 13 -14.488 4.717 2.428 1.00 0.00 O ATOM 211 CG2 THR A 13 -13.514 6.664 3.262 1.00 0.00 C ATOM 0 H THR A 13 -13.703 3.134 4.961 1.00 0.00 H new ATOM 0 HA THR A 13 -12.176 4.195 2.678 1.00 0.00 H new ATOM 0 HB THR A 13 -14.369 5.150 4.534 1.00 0.00 H new ATOM 0 HG1 THR A 13 -15.319 5.219 2.292 1.00 0.00 H new ATOM 0 HG21 THR A 13 -14.444 7.230 3.206 1.00 0.00 H new ATOM 0 HG22 THR A 13 -12.879 7.086 4.041 1.00 0.00 H new ATOM 0 HG23 THR A 13 -12.998 6.719 2.304 1.00 0.00 H new ATOM 218 N CYS A 14 -10.507 5.602 3.721 1.00 0.00 N ATOM 219 CA CYS A 14 -9.372 6.277 4.327 1.00 0.00 C ATOM 220 C CYS A 14 -9.820 7.675 4.758 1.00 0.00 C ATOM 221 O CYS A 14 -10.571 8.338 4.044 1.00 0.00 O ATOM 222 CB CYS A 14 -8.172 6.329 3.379 1.00 0.00 C ATOM 223 SG CYS A 14 -7.902 4.808 2.399 1.00 0.00 S ATOM 0 H CYS A 14 -10.523 5.628 2.701 1.00 0.00 H new ATOM 0 HA CYS A 14 -9.037 5.718 5.201 1.00 0.00 H new ATOM 0 HB2 CYS A 14 -8.304 7.167 2.694 1.00 0.00 H new ATOM 0 HB3 CYS A 14 -7.274 6.532 3.963 1.00 0.00 H new ATOM 228 N PRO A 15 -9.327 8.093 5.955 1.00 0.00 N ATOM 229 CA PRO A 15 -9.668 9.400 6.490 1.00 0.00 C ATOM 230 C PRO A 15 -8.913 10.508 5.753 1.00 0.00 C ATOM 231 O PRO A 15 -7.932 10.241 5.060 1.00 0.00 O ATOM 232 CB PRO A 15 -9.319 9.324 7.967 1.00 0.00 C ATOM 233 CG PRO A 15 -8.368 8.147 8.111 1.00 0.00 C ATOM 234 CD PRO A 15 -8.435 7.335 6.827 1.00 0.00 C ATOM 0 HA PRO A 15 -10.721 9.648 6.356 1.00 0.00 H new ATOM 0 HB2 PRO A 15 -8.851 10.248 8.306 1.00 0.00 H new ATOM 0 HB3 PRO A 15 -10.214 9.180 8.573 1.00 0.00 H new ATOM 0 HG2 PRO A 15 -7.351 8.497 8.289 1.00 0.00 H new ATOM 0 HG3 PRO A 15 -8.648 7.532 8.967 1.00 0.00 H new ATOM 0 HD2 PRO A 15 -7.448 7.220 6.380 1.00 0.00 H new ATOM 0 HD3 PRO A 15 -8.820 6.332 7.012 1.00 0.00 H new ATOM 242 N ALA A 16 -9.399 11.728 5.927 1.00 0.00 N ATOM 243 CA ALA A 16 -8.782 12.878 5.288 1.00 0.00 C ATOM 244 C ALA A 16 -7.265 12.804 5.470 1.00 0.00 C ATOM 245 O ALA A 16 -6.780 12.243 6.451 1.00 0.00 O ATOM 246 CB ALA A 16 -9.377 14.164 5.865 1.00 0.00 C ATOM 0 H ALA A 16 -10.213 11.945 6.502 1.00 0.00 H new ATOM 0 HA ALA A 16 -8.986 12.877 4.217 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -8.914 15.026 5.385 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -10.452 14.181 5.683 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.190 14.202 6.938 1.00 0.00 H new ATOM 251 N GLY A 17 -6.557 13.379 4.509 1.00 0.00 N ATOM 252 CA GLY A 17 -5.104 13.386 4.551 1.00 0.00 C ATOM 253 C GLY A 17 -4.529 12.178 3.809 1.00 0.00 C ATOM 254 O GLY A 17 -3.629 12.323 2.982 1.00 0.00 O ATOM 0 H GLY A 17 -6.962 13.843 3.696 1.00 0.00 H new ATOM 0 HA2 GLY A 17 -4.728 14.306 4.103 1.00 0.00 H new ATOM 0 HA3 GLY A 17 -4.766 13.375 5.587 1.00 0.00 H new ATOM 258 N LYS A 18 -5.071 11.013 4.131 1.00 0.00 N ATOM 259 CA LYS A 18 -4.623 9.780 3.506 1.00 0.00 C ATOM 260 C LYS A 18 -5.523 9.463 2.310 1.00 0.00 C ATOM 261 O LYS A 18 -6.571 8.839 2.466 1.00 0.00 O ATOM 262 CB LYS A 18 -4.550 8.652 4.536 1.00 0.00 C ATOM 263 CG LYS A 18 -4.120 9.186 5.904 1.00 0.00 C ATOM 264 CD LYS A 18 -2.662 9.649 5.878 1.00 0.00 C ATOM 265 CE LYS A 18 -1.937 9.251 7.165 1.00 0.00 C ATOM 266 NZ LYS A 18 -1.321 10.437 7.801 1.00 0.00 N ATOM 0 H LYS A 18 -5.817 10.897 4.817 1.00 0.00 H new ATOM 0 HA LYS A 18 -3.610 9.895 3.122 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -5.523 8.168 4.620 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -3.844 7.893 4.200 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -4.764 10.017 6.193 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -4.245 8.408 6.658 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -2.153 9.211 5.019 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -2.623 10.731 5.754 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -2.639 8.784 7.856 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -1.169 8.510 6.943 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -0.572 10.131 8.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -0.911 11.050 7.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -2.046 10.964 8.328 1.00 0.00 H new ATOM 279 N ASN A 19 -5.082 9.909 1.143 1.00 0.00 N ATOM 280 CA ASN A 19 -5.835 9.681 -0.079 1.00 0.00 C ATOM 281 C ASN A 19 -5.083 8.677 -0.956 1.00 0.00 C ATOM 282 O ASN A 19 -5.385 8.535 -2.140 1.00 0.00 O ATOM 283 CB ASN A 19 -5.997 10.977 -0.876 1.00 0.00 C ATOM 284 CG ASN A 19 -7.268 11.720 -0.460 1.00 0.00 C ATOM 285 OD1 ASN A 19 -7.541 11.928 0.711 1.00 0.00 O ATOM 286 ND2 ASN A 19 -8.026 12.108 -1.481 1.00 0.00 N ATOM 0 H ASN A 19 -4.212 10.427 1.018 1.00 0.00 H new ATOM 0 HA ASN A 19 -6.819 9.302 0.197 1.00 0.00 H new ATOM 0 HB2 ASN A 19 -5.129 11.617 -0.717 1.00 0.00 H new ATOM 0 HB3 ASN A 19 -6.036 10.751 -1.942 1.00 0.00 H new ATOM 0 HD21 ASN A 19 -8.895 12.613 -1.308 1.00 0.00 H new ATOM 0 HD22 ASN A 19 -7.738 11.901 -2.437 1.00 0.00 H new ATOM 293 N LEU A 20 -4.119 8.008 -0.341 1.00 0.00 N ATOM 294 CA LEU A 20 -3.322 7.022 -1.051 1.00 0.00 C ATOM 295 C LEU A 20 -3.303 5.717 -0.253 1.00 0.00 C ATOM 296 O LEU A 20 -3.038 5.724 0.949 1.00 0.00 O ATOM 297 CB LEU A 20 -1.929 7.578 -1.356 1.00 0.00 C ATOM 298 CG LEU A 20 -1.885 8.844 -2.213 1.00 0.00 C ATOM 299 CD1 LEU A 20 -1.740 10.092 -1.340 1.00 0.00 C ATOM 300 CD2 LEU A 20 -0.782 8.753 -3.270 1.00 0.00 C ATOM 0 H LEU A 20 -3.872 8.129 0.641 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.769 6.797 -2.019 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -1.427 7.785 -0.411 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.352 6.802 -1.859 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.833 8.930 -2.744 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -1.711 10.978 -1.974 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.588 10.160 -0.659 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -0.817 10.028 -0.764 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -0.773 9.666 -3.866 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.183 8.630 -2.779 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.970 7.898 -3.919 1.00 0.00 H new ATOM 310 N CYS A 21 -3.586 4.629 -0.952 1.00 0.00 N ATOM 311 CA CYS A 21 -3.605 3.319 -0.323 1.00 0.00 C ATOM 312 C CYS A 21 -2.221 2.688 -0.486 1.00 0.00 C ATOM 313 O CYS A 21 -1.599 2.810 -1.541 1.00 0.00 O ATOM 314 CB CYS A 21 -4.708 2.430 -0.900 1.00 0.00 C ATOM 315 SG CYS A 21 -6.390 3.149 -0.828 1.00 0.00 S ATOM 0 H CYS A 21 -3.804 4.627 -1.948 1.00 0.00 H new ATOM 0 HA CYS A 21 -3.833 3.426 0.738 1.00 0.00 H new ATOM 0 HB2 CYS A 21 -4.468 2.206 -1.939 1.00 0.00 H new ATOM 0 HB3 CYS A 21 -4.710 1.482 -0.362 1.00 0.00 H new ATOM 320 N TYR A 22 -1.778 2.029 0.574 1.00 0.00 N ATOM 321 CA TYR A 22 -0.478 1.379 0.562 1.00 0.00 C ATOM 322 C TYR A 22 -0.611 -0.119 0.846 1.00 0.00 C ATOM 323 O TYR A 22 -1.506 -0.539 1.579 1.00 0.00 O ATOM 324 CB TYR A 22 0.329 2.029 1.688 1.00 0.00 C ATOM 325 CG TYR A 22 0.086 1.409 3.066 1.00 0.00 C ATOM 326 CD1 TYR A 22 0.580 0.152 3.353 1.00 0.00 C ATOM 327 CD2 TYR A 22 -0.626 2.106 4.020 1.00 0.00 C ATOM 328 CE1 TYR A 22 0.351 -0.431 4.650 1.00 0.00 C ATOM 329 CE2 TYR A 22 -0.854 1.522 5.317 1.00 0.00 C ATOM 330 CZ TYR A 22 -0.354 0.282 5.568 1.00 0.00 C ATOM 331 OH TYR A 22 -0.570 -0.269 6.792 1.00 0.00 O ATOM 0 H TYR A 22 -2.296 1.931 1.447 1.00 0.00 H new ATOM 0 HA TYR A 22 -0.002 1.491 -0.412 1.00 0.00 H new ATOM 0 HB2 TYR A 22 1.390 1.955 1.450 1.00 0.00 H new ATOM 0 HB3 TYR A 22 0.085 3.090 1.730 1.00 0.00 H new ATOM 0 HD1 TYR A 22 1.137 -0.393 2.606 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -1.012 3.089 3.795 1.00 0.00 H new ATOM 0 HE1 TYR A 22 0.731 -1.413 4.888 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -1.410 2.057 6.073 1.00 0.00 H new ATOM 0 HH TYR A 22 -1.087 0.354 7.345 1.00 0.00 H new ATOM 341 N LYS A 23 0.291 -0.884 0.250 1.00 0.00 N ATOM 342 CA LYS A 23 0.286 -2.326 0.429 1.00 0.00 C ATOM 343 C LYS A 23 1.718 -2.812 0.662 1.00 0.00 C ATOM 344 O LYS A 23 2.597 -2.587 -0.169 1.00 0.00 O ATOM 345 CB LYS A 23 -0.411 -3.009 -0.750 1.00 0.00 C ATOM 346 CG LYS A 23 -0.108 -4.509 -0.771 1.00 0.00 C ATOM 347 CD LYS A 23 -0.571 -5.143 -2.084 1.00 0.00 C ATOM 348 CE LYS A 23 0.579 -5.880 -2.773 1.00 0.00 C ATOM 349 NZ LYS A 23 0.485 -5.729 -4.242 1.00 0.00 N ATOM 0 H LYS A 23 1.031 -0.532 -0.358 1.00 0.00 H new ATOM 0 HA LYS A 23 -0.291 -2.598 1.313 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -1.488 -2.853 -0.681 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -0.082 -2.555 -1.685 1.00 0.00 H new ATOM 0 HG2 LYS A 23 0.963 -4.669 -0.643 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -0.606 -4.996 0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -1.387 -5.838 -1.888 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -0.962 -4.371 -2.747 1.00 0.00 H new ATOM 0 HE2 LYS A 23 1.533 -5.487 -2.421 1.00 0.00 H new ATOM 0 HE3 LYS A 23 0.552 -6.937 -2.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 1.273 -6.235 -4.694 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -0.417 -6.125 -4.575 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 0.533 -4.720 -4.491 1.00 0.00 H new ATOM 362 N MET A 24 1.908 -3.469 1.797 1.00 0.00 N ATOM 363 CA MET A 24 3.218 -3.988 2.150 1.00 0.00 C ATOM 364 C MET A 24 3.277 -5.505 1.957 1.00 0.00 C ATOM 365 O MET A 24 2.480 -6.240 2.537 1.00 0.00 O ATOM 366 CB MET A 24 3.527 -3.647 3.609 1.00 0.00 C ATOM 367 CG MET A 24 3.620 -2.133 3.810 1.00 0.00 C ATOM 368 SD MET A 24 3.285 -1.722 5.514 1.00 0.00 S ATOM 369 CE MET A 24 4.497 -0.436 5.767 1.00 0.00 C ATOM 0 H MET A 24 1.177 -3.654 2.484 1.00 0.00 H new ATOM 0 HA MET A 24 3.958 -3.528 1.496 1.00 0.00 H new ATOM 0 HB2 MET A 24 2.750 -4.056 4.254 1.00 0.00 H new ATOM 0 HB3 MET A 24 4.466 -4.115 3.905 1.00 0.00 H new ATOM 0 HG2 MET A 24 4.613 -1.781 3.531 1.00 0.00 H new ATOM 0 HG3 MET A 24 2.908 -1.627 3.158 1.00 0.00 H new ATOM 0 HE1 MET A 24 4.425 -0.064 6.789 1.00 0.00 H new ATOM 0 HE2 MET A 24 5.496 -0.839 5.597 1.00 0.00 H new ATOM 0 HE3 MET A 24 4.311 0.381 5.070 1.00 0.00 H new ATOM 378 N PHE A 25 4.229 -5.929 1.138 1.00 0.00 N ATOM 379 CA PHE A 25 4.402 -7.345 0.861 1.00 0.00 C ATOM 380 C PHE A 25 5.886 -7.706 0.761 1.00 0.00 C ATOM 381 O PHE A 25 6.692 -6.907 0.288 1.00 0.00 O ATOM 382 CB PHE A 25 3.729 -7.623 -0.484 1.00 0.00 C ATOM 383 CG PHE A 25 4.525 -7.125 -1.693 1.00 0.00 C ATOM 384 CD1 PHE A 25 5.489 -7.912 -2.242 1.00 0.00 C ATOM 385 CD2 PHE A 25 4.268 -5.897 -2.217 1.00 0.00 C ATOM 386 CE1 PHE A 25 6.227 -7.450 -3.364 1.00 0.00 C ATOM 387 CE2 PHE A 25 5.007 -5.435 -3.338 1.00 0.00 C ATOM 388 CZ PHE A 25 5.971 -6.222 -3.888 1.00 0.00 C ATOM 0 H PHE A 25 4.888 -5.317 0.658 1.00 0.00 H new ATOM 0 HA PHE A 25 3.965 -7.938 1.664 1.00 0.00 H new ATOM 0 HB2 PHE A 25 3.570 -8.697 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 25 2.746 -7.153 -0.491 1.00 0.00 H new ATOM 0 HD1 PHE A 25 5.693 -8.887 -1.825 1.00 0.00 H new ATOM 0 HD2 PHE A 25 3.502 -5.273 -1.781 1.00 0.00 H new ATOM 0 HE1 PHE A 25 6.992 -8.075 -3.801 1.00 0.00 H new ATOM 0 HE2 PHE A 25 4.804 -4.459 -3.754 1.00 0.00 H new ATOM 0 HZ PHE A 25 6.533 -5.871 -4.741 1.00 0.00 H new ATOM 398 N MET A 26 6.200 -8.911 1.212 1.00 0.00 N ATOM 399 CA MET A 26 7.572 -9.389 1.179 1.00 0.00 C ATOM 400 C MET A 26 7.928 -9.939 -0.203 1.00 0.00 C ATOM 401 O MET A 26 7.052 -10.388 -0.941 1.00 0.00 O ATOM 402 CB MET A 26 7.756 -10.486 2.229 1.00 0.00 C ATOM 403 CG MET A 26 7.484 -9.951 3.636 1.00 0.00 C ATOM 404 SD MET A 26 7.519 -11.290 4.816 1.00 0.00 S ATOM 405 CE MET A 26 9.244 -11.254 5.274 1.00 0.00 C ATOM 0 H MET A 26 5.528 -9.571 1.603 1.00 0.00 H new ATOM 0 HA MET A 26 8.234 -8.551 1.397 1.00 0.00 H new ATOM 0 HB2 MET A 26 7.082 -11.315 2.015 1.00 0.00 H new ATOM 0 HB3 MET A 26 8.771 -10.879 2.176 1.00 0.00 H new ATOM 0 HG2 MET A 26 8.231 -9.203 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 26 6.513 -9.456 3.664 1.00 0.00 H new ATOM 0 HE1 MET A 26 9.441 -12.033 6.011 1.00 0.00 H new ATOM 0 HE2 MET A 26 9.859 -11.426 4.390 1.00 0.00 H new ATOM 0 HE3 MET A 26 9.487 -10.281 5.701 1.00 0.00 H new ATOM 414 N VAL A 27 9.215 -9.886 -0.513 1.00 0.00 N ATOM 415 CA VAL A 27 9.697 -10.374 -1.794 1.00 0.00 C ATOM 416 C VAL A 27 9.365 -11.862 -1.926 1.00 0.00 C ATOM 417 O VAL A 27 9.450 -12.426 -3.016 1.00 0.00 O ATOM 418 CB VAL A 27 11.192 -10.080 -1.937 1.00 0.00 C ATOM 419 CG1 VAL A 27 11.858 -11.075 -2.889 1.00 0.00 C ATOM 420 CG2 VAL A 27 11.425 -8.639 -2.397 1.00 0.00 C ATOM 0 H VAL A 27 9.939 -9.513 0.101 1.00 0.00 H new ATOM 0 HA VAL A 27 9.198 -9.856 -2.613 1.00 0.00 H new ATOM 0 HB VAL A 27 11.652 -10.197 -0.956 1.00 0.00 H new ATOM 0 HG11 VAL A 27 12.920 -10.844 -2.973 1.00 0.00 H new ATOM 0 HG12 VAL A 27 11.737 -12.086 -2.501 1.00 0.00 H new ATOM 0 HG13 VAL A 27 11.393 -11.005 -3.872 1.00 0.00 H new ATOM 0 HG21 VAL A 27 12.495 -8.456 -2.491 1.00 0.00 H new ATOM 0 HG22 VAL A 27 10.944 -8.483 -3.363 1.00 0.00 H new ATOM 0 HG23 VAL A 27 11.002 -7.951 -1.666 1.00 0.00 H new ATOM 428 N ALA A 28 8.995 -12.455 -0.801 1.00 0.00 N ATOM 429 CA ALA A 28 8.650 -13.866 -0.777 1.00 0.00 C ATOM 430 C ALA A 28 7.914 -14.229 -2.069 1.00 0.00 C ATOM 431 O ALA A 28 8.100 -15.319 -2.608 1.00 0.00 O ATOM 432 CB ALA A 28 7.820 -14.168 0.472 1.00 0.00 C ATOM 0 H ALA A 28 8.927 -11.984 0.101 1.00 0.00 H new ATOM 0 HA ALA A 28 9.549 -14.480 -0.726 1.00 0.00 H new ATOM 0 HB1 ALA A 28 7.561 -15.227 0.490 1.00 0.00 H new ATOM 0 HB2 ALA A 28 8.399 -13.921 1.362 1.00 0.00 H new ATOM 0 HB3 ALA A 28 6.908 -13.572 0.455 1.00 0.00 H new ATOM 437 N ALA A 29 7.095 -13.294 -2.527 1.00 0.00 N ATOM 438 CA ALA A 29 6.330 -13.501 -3.745 1.00 0.00 C ATOM 439 C ALA A 29 6.129 -12.159 -4.451 1.00 0.00 C ATOM 440 O ALA A 29 6.137 -11.109 -3.810 1.00 0.00 O ATOM 441 CB ALA A 29 5.005 -14.186 -3.406 1.00 0.00 C ATOM 0 H ALA A 29 6.944 -12.391 -2.077 1.00 0.00 H new ATOM 0 HA ALA A 29 6.869 -14.156 -4.430 1.00 0.00 H new ATOM 0 HB1 ALA A 29 4.431 -14.341 -4.320 1.00 0.00 H new ATOM 0 HB2 ALA A 29 5.203 -15.148 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 29 4.435 -13.557 -2.722 1.00 0.00 H new ATOM 446 N PRO A 30 5.950 -12.238 -5.797 1.00 0.00 N ATOM 447 CA PRO A 30 5.748 -11.042 -6.597 1.00 0.00 C ATOM 448 C PRO A 30 4.335 -10.488 -6.406 1.00 0.00 C ATOM 449 O PRO A 30 4.075 -9.323 -6.705 1.00 0.00 O ATOM 450 CB PRO A 30 6.029 -11.473 -8.027 1.00 0.00 C ATOM 451 CG PRO A 30 5.924 -12.989 -8.034 1.00 0.00 C ATOM 452 CD PRO A 30 5.936 -13.464 -6.590 1.00 0.00 C ATOM 0 HA PRO A 30 6.407 -10.224 -6.305 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.312 -11.029 -8.717 1.00 0.00 H new ATOM 0 HB3 PRO A 30 7.020 -11.149 -8.345 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.008 -13.306 -8.532 1.00 0.00 H new ATOM 0 HG3 PRO A 30 6.755 -13.427 -8.587 1.00 0.00 H new ATOM 0 HD2 PRO A 30 5.059 -14.071 -6.365 1.00 0.00 H new ATOM 0 HD3 PRO A 30 6.811 -14.080 -6.383 1.00 0.00 H new ATOM 460 N HIS A 31 3.458 -11.349 -5.911 1.00 0.00 N ATOM 461 CA HIS A 31 2.077 -10.960 -5.678 1.00 0.00 C ATOM 462 C HIS A 31 1.539 -11.692 -4.447 1.00 0.00 C ATOM 463 O HIS A 31 0.682 -12.566 -4.565 1.00 0.00 O ATOM 464 CB HIS A 31 1.227 -11.198 -6.927 1.00 0.00 C ATOM 465 CG HIS A 31 0.038 -10.274 -7.046 1.00 0.00 C ATOM 466 ND1 HIS A 31 0.145 -8.898 -6.940 1.00 0.00 N ATOM 467 CD2 HIS A 31 -1.281 -10.543 -7.263 1.00 0.00 C ATOM 468 CE1 HIS A 31 -1.063 -8.373 -7.088 1.00 0.00 C ATOM 469 NE2 HIS A 31 -1.945 -9.394 -7.287 1.00 0.00 N ATOM 0 H HIS A 31 3.677 -12.314 -5.665 1.00 0.00 H new ATOM 0 HA HIS A 31 2.026 -9.891 -5.474 1.00 0.00 H new ATOM 0 HB2 HIS A 31 1.856 -11.080 -7.810 1.00 0.00 H new ATOM 0 HB3 HIS A 31 0.874 -12.229 -6.923 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -1.712 -11.525 -7.393 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -1.306 -7.321 -7.057 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -2.950 -9.291 -7.431 1.00 0.00 H new ATOM 477 N VAL A 32 2.065 -11.308 -3.293 1.00 0.00 N ATOM 478 CA VAL A 32 1.649 -11.917 -2.041 1.00 0.00 C ATOM 479 C VAL A 32 1.822 -10.907 -0.905 1.00 0.00 C ATOM 480 O VAL A 32 2.870 -10.863 -0.263 1.00 0.00 O ATOM 481 CB VAL A 32 2.422 -13.217 -1.808 1.00 0.00 C ATOM 482 CG1 VAL A 32 2.239 -13.714 -0.373 1.00 0.00 C ATOM 483 CG2 VAL A 32 2.007 -14.290 -2.817 1.00 0.00 C ATOM 0 H VAL A 32 2.776 -10.582 -3.199 1.00 0.00 H new ATOM 0 HA VAL A 32 0.593 -12.185 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 32 3.481 -13.008 -1.958 1.00 0.00 H new ATOM 0 HG11 VAL A 32 2.799 -14.639 -0.234 1.00 0.00 H new ATOM 0 HG12 VAL A 32 2.606 -12.960 0.323 1.00 0.00 H new ATOM 0 HG13 VAL A 32 1.181 -13.898 -0.184 1.00 0.00 H new ATOM 0 HG21 VAL A 32 2.571 -15.204 -2.629 1.00 0.00 H new ATOM 0 HG22 VAL A 32 0.941 -14.494 -2.714 1.00 0.00 H new ATOM 0 HG23 VAL A 32 2.213 -13.938 -3.828 1.00 0.00 H new ATOM 491 N PRO A 33 0.750 -10.100 -0.685 1.00 0.00 N ATOM 492 CA PRO A 33 0.773 -9.093 0.362 1.00 0.00 C ATOM 493 C PRO A 33 0.616 -9.734 1.742 1.00 0.00 C ATOM 494 O PRO A 33 0.029 -10.807 1.869 1.00 0.00 O ATOM 495 CB PRO A 33 -0.360 -8.140 0.017 1.00 0.00 C ATOM 496 CG PRO A 33 -1.266 -8.899 -0.940 1.00 0.00 C ATOM 497 CD PRO A 33 -0.508 -10.123 -1.426 1.00 0.00 C ATOM 0 HA PRO A 33 1.722 -8.560 0.412 1.00 0.00 H new ATOM 0 HB2 PRO A 33 -0.903 -7.838 0.913 1.00 0.00 H new ATOM 0 HB3 PRO A 33 0.022 -7.230 -0.446 1.00 0.00 H new ATOM 0 HG2 PRO A 33 -2.188 -9.195 -0.439 1.00 0.00 H new ATOM 0 HG3 PRO A 33 -1.549 -8.266 -1.781 1.00 0.00 H new ATOM 0 HD2 PRO A 33 -1.066 -11.038 -1.229 1.00 0.00 H new ATOM 0 HD3 PRO A 33 -0.335 -10.080 -2.501 1.00 0.00 H new ATOM 505 N VAL A 34 1.152 -9.049 2.742 1.00 0.00 N ATOM 506 CA VAL A 34 1.079 -9.538 4.108 1.00 0.00 C ATOM 507 C VAL A 34 0.129 -8.649 4.914 1.00 0.00 C ATOM 508 O VAL A 34 -0.733 -9.149 5.635 1.00 0.00 O ATOM 509 CB VAL A 34 2.482 -9.614 4.712 1.00 0.00 C ATOM 510 CG1 VAL A 34 2.996 -8.222 5.084 1.00 0.00 C ATOM 511 CG2 VAL A 34 2.508 -10.549 5.923 1.00 0.00 C ATOM 0 H VAL A 34 1.639 -8.159 2.633 1.00 0.00 H new ATOM 0 HA VAL A 34 0.674 -10.550 4.130 1.00 0.00 H new ATOM 0 HB VAL A 34 3.150 -10.026 3.955 1.00 0.00 H new ATOM 0 HG11 VAL A 34 3.995 -8.305 5.511 1.00 0.00 H new ATOM 0 HG12 VAL A 34 3.034 -7.598 4.191 1.00 0.00 H new ATOM 0 HG13 VAL A 34 2.326 -7.770 5.815 1.00 0.00 H new ATOM 0 HG21 VAL A 34 3.517 -10.585 6.333 1.00 0.00 H new ATOM 0 HG22 VAL A 34 1.820 -10.179 6.683 1.00 0.00 H new ATOM 0 HG23 VAL A 34 2.205 -11.550 5.616 1.00 0.00 H new ATOM 519 N LYS A 35 0.319 -7.346 4.763 1.00 0.00 N ATOM 520 CA LYS A 35 -0.510 -6.383 5.467 1.00 0.00 C ATOM 521 C LYS A 35 -0.744 -5.165 4.571 1.00 0.00 C ATOM 522 O LYS A 35 0.031 -4.910 3.651 1.00 0.00 O ATOM 523 CB LYS A 35 0.105 -6.037 6.825 1.00 0.00 C ATOM 524 CG LYS A 35 0.001 -7.219 7.791 1.00 0.00 C ATOM 525 CD LYS A 35 0.878 -6.998 9.025 1.00 0.00 C ATOM 526 CE LYS A 35 0.284 -5.922 9.935 1.00 0.00 C ATOM 527 NZ LYS A 35 1.097 -4.687 9.877 1.00 0.00 N ATOM 0 H LYS A 35 1.035 -6.935 4.164 1.00 0.00 H new ATOM 0 HA LYS A 35 -1.488 -6.812 5.685 1.00 0.00 H new ATOM 0 HB2 LYS A 35 1.151 -5.760 6.695 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -0.403 -5.171 7.248 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -1.037 -7.353 8.097 1.00 0.00 H new ATOM 0 HG3 LYS A 35 0.304 -8.135 7.284 1.00 0.00 H new ATOM 0 HD2 LYS A 35 0.977 -7.932 9.577 1.00 0.00 H new ATOM 0 HD3 LYS A 35 1.881 -6.704 8.715 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -0.740 -5.705 9.631 1.00 0.00 H new ATOM 0 HE3 LYS A 35 0.241 -6.288 10.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 0.680 -3.967 10.501 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 2.067 -4.895 10.189 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 1.117 -4.330 8.900 1.00 0.00 H new ATOM 540 N ARG A 36 -1.815 -4.418 4.844 1.00 0.00 N ATOM 541 CA ARG A 36 -2.146 -3.241 4.067 1.00 0.00 C ATOM 542 C ARG A 36 -2.754 -2.180 4.973 1.00 0.00 C ATOM 543 O ARG A 36 -3.031 -2.443 6.142 1.00 0.00 O ATOM 544 CB ARG A 36 -3.118 -3.623 2.955 1.00 0.00 C ATOM 545 CG ARG A 36 -2.377 -4.416 1.882 1.00 0.00 C ATOM 546 CD ARG A 36 -2.930 -5.837 1.828 1.00 0.00 C ATOM 547 NE ARG A 36 -4.115 -5.908 0.973 1.00 0.00 N ATOM 548 CZ ARG A 36 -4.574 -7.059 0.462 1.00 0.00 C ATOM 549 NH1 ARG A 36 -3.942 -8.210 0.729 1.00 0.00 N ATOM 550 NH2 ARG A 36 -5.665 -7.059 -0.316 1.00 0.00 N ATOM 0 H ARG A 36 -2.466 -4.616 5.604 1.00 0.00 H new ATOM 0 HA ARG A 36 -1.242 -2.832 3.616 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -3.937 -4.217 3.361 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -3.560 -2.727 2.520 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -2.492 -3.932 0.912 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -1.310 -4.438 2.102 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -2.164 -6.515 1.451 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -3.183 -6.171 2.834 1.00 0.00 H new ATOM 0 HE ARG A 36 -4.613 -5.045 0.756 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -3.112 -8.210 1.321 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -4.291 -9.086 0.340 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -6.146 -6.183 -0.519 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -6.014 -7.935 -0.705 1.00 0.00 H new ATOM 564 N GLY A 37 -2.947 -0.999 4.403 1.00 0.00 N ATOM 565 CA GLY A 37 -3.521 0.108 5.150 1.00 0.00 C ATOM 566 C GLY A 37 -3.560 1.380 4.301 1.00 0.00 C ATOM 567 O GLY A 37 -3.137 1.374 3.146 1.00 0.00 O ATOM 0 H GLY A 37 -2.716 -0.785 3.433 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.530 -0.150 5.472 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -2.935 0.286 6.052 1.00 0.00 H new ATOM 571 N CYS A 38 -4.072 2.442 4.907 1.00 0.00 N ATOM 572 CA CYS A 38 -4.172 3.719 4.222 1.00 0.00 C ATOM 573 C CYS A 38 -3.062 4.633 4.746 1.00 0.00 C ATOM 574 O CYS A 38 -2.615 4.484 5.882 1.00 0.00 O ATOM 575 CB CYS A 38 -5.557 4.346 4.394 1.00 0.00 C ATOM 576 SG CYS A 38 -6.893 3.524 3.452 1.00 0.00 S ATOM 0 H CYS A 38 -4.422 2.444 5.865 1.00 0.00 H new ATOM 0 HA CYS A 38 -4.043 3.571 3.150 1.00 0.00 H new ATOM 0 HB2 CYS A 38 -5.817 4.334 5.452 1.00 0.00 H new ATOM 0 HB3 CYS A 38 -5.507 5.392 4.090 1.00 0.00 H new ATOM 581 N ILE A 39 -2.651 5.560 3.893 1.00 0.00 N ATOM 582 CA ILE A 39 -1.602 6.498 4.255 1.00 0.00 C ATOM 583 C ILE A 39 -1.529 7.606 3.202 1.00 0.00 C ATOM 584 O ILE A 39 -2.331 7.635 2.270 1.00 0.00 O ATOM 585 CB ILE A 39 -0.277 5.764 4.469 1.00 0.00 C ATOM 586 CG1 ILE A 39 0.550 6.435 5.568 1.00 0.00 C ATOM 587 CG2 ILE A 39 0.502 5.645 3.158 1.00 0.00 C ATOM 588 CD1 ILE A 39 0.564 5.584 6.840 1.00 0.00 C ATOM 0 H ILE A 39 -3.026 5.681 2.952 1.00 0.00 H new ATOM 0 HA ILE A 39 -1.831 6.977 5.207 1.00 0.00 H new ATOM 0 HB ILE A 39 -0.498 4.751 4.805 1.00 0.00 H new ATOM 0 HG12 ILE A 39 1.571 6.589 5.218 1.00 0.00 H new ATOM 0 HG13 ILE A 39 0.137 7.419 5.789 1.00 0.00 H new ATOM 0 HG21 ILE A 39 1.440 5.119 3.338 1.00 0.00 H new ATOM 0 HG22 ILE A 39 -0.091 5.090 2.431 1.00 0.00 H new ATOM 0 HG23 ILE A 39 0.713 6.641 2.769 1.00 0.00 H new ATOM 0 HD11 ILE A 39 1.158 6.083 7.605 1.00 0.00 H new ATOM 0 HD12 ILE A 39 -0.456 5.453 7.201 1.00 0.00 H new ATOM 0 HD13 ILE A 39 1.000 4.609 6.621 1.00 0.00 H new ATOM 598 N ASP A 40 -0.564 8.514 3.356 1.00 0.00 N ATOM 599 CA ASP A 40 -0.391 9.612 2.426 1.00 0.00 C ATOM 600 C ASP A 40 0.972 9.511 1.757 1.00 0.00 C ATOM 601 O ASP A 40 1.092 9.729 0.554 1.00 0.00 O ATOM 602 CB ASP A 40 -0.531 10.936 3.173 1.00 0.00 C ATOM 603 CG ASP A 40 0.011 10.821 4.590 1.00 0.00 C ATOM 604 OD1 ASP A 40 0.857 9.925 4.803 1.00 0.00 O ATOM 605 OD2 ASP A 40 -0.430 11.630 5.434 1.00 0.00 O ATOM 0 H ASP A 40 0.109 8.503 4.123 1.00 0.00 H new ATOM 0 HA ASP A 40 -1.157 9.564 1.652 1.00 0.00 H new ATOM 0 HB2 ASP A 40 0.005 11.719 2.637 1.00 0.00 H new ATOM 0 HB3 ASP A 40 -1.580 11.232 3.204 1.00 0.00 H new ATOM 611 N VAL A 41 1.970 9.180 2.564 1.00 0.00 N ATOM 612 CA VAL A 41 3.326 9.047 2.061 1.00 0.00 C ATOM 613 C VAL A 41 3.736 7.573 2.092 1.00 0.00 C ATOM 614 O VAL A 41 3.425 6.859 3.044 1.00 0.00 O ATOM 615 CB VAL A 41 4.271 9.947 2.859 1.00 0.00 C ATOM 616 CG1 VAL A 41 3.796 11.401 2.833 1.00 0.00 C ATOM 617 CG2 VAL A 41 4.423 9.445 4.296 1.00 0.00 C ATOM 0 H VAL A 41 1.866 9.000 3.563 1.00 0.00 H new ATOM 0 HA VAL A 41 3.382 9.378 1.024 1.00 0.00 H new ATOM 0 HB VAL A 41 5.252 9.907 2.385 1.00 0.00 H new ATOM 0 HG11 VAL A 41 4.486 12.019 3.408 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.764 11.755 1.803 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.800 11.466 3.270 1.00 0.00 H new ATOM 0 HG21 VAL A 41 5.100 10.103 4.841 1.00 0.00 H new ATOM 0 HG22 VAL A 41 3.449 9.441 4.785 1.00 0.00 H new ATOM 0 HG23 VAL A 41 4.829 8.433 4.287 1.00 0.00 H new ATOM 625 N CYS A 42 4.426 7.161 1.039 1.00 0.00 N ATOM 626 CA CYS A 42 4.881 5.786 0.934 1.00 0.00 C ATOM 627 C CYS A 42 6.349 5.731 1.360 1.00 0.00 C ATOM 628 O CYS A 42 7.136 6.607 1.003 1.00 0.00 O ATOM 629 CB CYS A 42 4.675 5.228 -0.476 1.00 0.00 C ATOM 630 SG CYS A 42 3.832 3.605 -0.544 1.00 0.00 S ATOM 0 H CYS A 42 4.681 7.756 0.251 1.00 0.00 H new ATOM 0 HA CYS A 42 4.288 5.153 1.595 1.00 0.00 H new ATOM 0 HB2 CYS A 42 4.095 5.947 -1.055 1.00 0.00 H new ATOM 0 HB3 CYS A 42 5.647 5.137 -0.961 1.00 0.00 H new ATOM 635 N PRO A 43 6.683 4.667 2.138 1.00 0.00 N ATOM 636 CA PRO A 43 8.043 4.487 2.617 1.00 0.00 C ATOM 637 C PRO A 43 8.959 3.997 1.494 1.00 0.00 C ATOM 638 O PRO A 43 8.487 3.469 0.488 1.00 0.00 O ATOM 639 CB PRO A 43 7.928 3.496 3.764 1.00 0.00 C ATOM 640 CG PRO A 43 6.585 2.806 3.586 1.00 0.00 C ATOM 641 CD PRO A 43 5.778 3.610 2.580 1.00 0.00 C ATOM 0 HA PRO A 43 8.496 5.418 2.956 1.00 0.00 H new ATOM 0 HB2 PRO A 43 8.744 2.774 3.740 1.00 0.00 H new ATOM 0 HB3 PRO A 43 7.981 4.005 4.727 1.00 0.00 H new ATOM 0 HG2 PRO A 43 6.725 1.784 3.234 1.00 0.00 H new ATOM 0 HG3 PRO A 43 6.057 2.746 4.538 1.00 0.00 H new ATOM 0 HD2 PRO A 43 5.456 2.989 1.744 1.00 0.00 H new ATOM 0 HD3 PRO A 43 4.878 4.024 3.035 1.00 0.00 H new ATOM 649 N LYS A 44 10.253 4.190 1.703 1.00 0.00 N ATOM 650 CA LYS A 44 11.240 3.775 0.721 1.00 0.00 C ATOM 651 C LYS A 44 11.132 2.264 0.502 1.00 0.00 C ATOM 652 O LYS A 44 10.811 1.521 1.428 1.00 0.00 O ATOM 653 CB LYS A 44 12.638 4.237 1.137 1.00 0.00 C ATOM 654 CG LYS A 44 13.641 4.045 -0.002 1.00 0.00 C ATOM 655 CD LYS A 44 14.174 5.392 -0.496 1.00 0.00 C ATOM 656 CE LYS A 44 13.763 5.645 -1.947 1.00 0.00 C ATOM 657 NZ LYS A 44 14.575 4.818 -2.868 1.00 0.00 N ATOM 0 H LYS A 44 10.641 4.628 2.538 1.00 0.00 H new ATOM 0 HA LYS A 44 11.045 4.252 -0.239 1.00 0.00 H new ATOM 0 HB2 LYS A 44 12.607 5.288 1.425 1.00 0.00 H new ATOM 0 HB3 LYS A 44 12.965 3.676 2.012 1.00 0.00 H new ATOM 0 HG2 LYS A 44 14.470 3.425 0.339 1.00 0.00 H new ATOM 0 HG3 LYS A 44 13.164 3.514 -0.826 1.00 0.00 H new ATOM 0 HD2 LYS A 44 13.793 6.193 0.138 1.00 0.00 H new ATOM 0 HD3 LYS A 44 15.261 5.409 -0.414 1.00 0.00 H new ATOM 0 HE2 LYS A 44 12.706 5.413 -2.077 1.00 0.00 H new ATOM 0 HE3 LYS A 44 13.890 6.700 -2.188 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 14.283 5.002 -3.849 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 15.581 5.058 -2.755 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 14.433 3.812 -2.648 1.00 0.00 H new ATOM 670 N SER A 45 11.405 1.856 -0.728 1.00 0.00 N ATOM 671 CA SER A 45 11.342 0.447 -1.080 1.00 0.00 C ATOM 672 C SER A 45 12.721 -0.195 -0.916 1.00 0.00 C ATOM 673 O SER A 45 13.713 0.314 -1.434 1.00 0.00 O ATOM 674 CB SER A 45 10.837 0.260 -2.512 1.00 0.00 C ATOM 675 OG SER A 45 9.426 0.062 -2.559 1.00 0.00 O ATOM 0 H SER A 45 11.670 2.476 -1.494 1.00 0.00 H new ATOM 0 HA SER A 45 10.638 -0.043 -0.408 1.00 0.00 H new ATOM 0 HB2 SER A 45 11.100 1.135 -3.106 1.00 0.00 H new ATOM 0 HB3 SER A 45 11.338 -0.596 -2.964 1.00 0.00 H new ATOM 0 HG SER A 45 9.120 0.108 -3.489 1.00 0.00 H new ATOM 681 N SER A 46 12.738 -1.305 -0.192 1.00 0.00 N ATOM 682 CA SER A 46 13.979 -2.023 0.047 1.00 0.00 C ATOM 683 C SER A 46 14.003 -3.314 -0.773 1.00 0.00 C ATOM 684 O SER A 46 13.035 -3.635 -1.461 1.00 0.00 O ATOM 685 CB SER A 46 14.156 -2.336 1.534 1.00 0.00 C ATOM 686 OG SER A 46 13.373 -3.455 1.941 1.00 0.00 O ATOM 0 H SER A 46 11.913 -1.724 0.237 1.00 0.00 H new ATOM 0 HA SER A 46 14.808 -1.387 -0.264 1.00 0.00 H new ATOM 0 HB2 SER A 46 15.208 -2.535 1.740 1.00 0.00 H new ATOM 0 HB3 SER A 46 13.876 -1.463 2.124 1.00 0.00 H new ATOM 0 HG SER A 46 12.551 -3.490 1.409 1.00 0.00 H new ATOM 692 N LEU A 47 15.120 -4.020 -0.674 1.00 0.00 N ATOM 693 CA LEU A 47 15.283 -5.269 -1.398 1.00 0.00 C ATOM 694 C LEU A 47 14.472 -6.365 -0.705 1.00 0.00 C ATOM 695 O LEU A 47 13.588 -6.967 -1.313 1.00 0.00 O ATOM 696 CB LEU A 47 16.767 -5.608 -1.555 1.00 0.00 C ATOM 697 CG LEU A 47 17.626 -4.553 -2.256 1.00 0.00 C ATOM 698 CD1 LEU A 47 19.061 -4.575 -1.727 1.00 0.00 C ATOM 699 CD2 LEU A 47 17.571 -4.722 -3.775 1.00 0.00 C ATOM 0 H LEU A 47 15.921 -3.750 -0.103 1.00 0.00 H new ATOM 0 HA LEU A 47 14.892 -5.175 -2.411 1.00 0.00 H new ATOM 0 HB2 LEU A 47 17.185 -5.788 -0.565 1.00 0.00 H new ATOM 0 HB3 LEU A 47 16.849 -6.542 -2.111 1.00 0.00 H new ATOM 0 HG LEU A 47 17.214 -3.570 -2.027 1.00 0.00 H new ATOM 0 HD11 LEU A 47 19.650 -3.816 -2.242 1.00 0.00 H new ATOM 0 HD12 LEU A 47 19.057 -4.368 -0.657 1.00 0.00 H new ATOM 0 HD13 LEU A 47 19.499 -5.557 -1.905 1.00 0.00 H new ATOM 0 HD21 LEU A 47 18.190 -3.960 -4.249 1.00 0.00 H new ATOM 0 HD22 LEU A 47 17.943 -5.710 -4.045 1.00 0.00 H new ATOM 0 HD23 LEU A 47 16.541 -4.616 -4.116 1.00 0.00 H new ATOM 709 N LEU A 48 14.802 -6.592 0.558 1.00 0.00 N ATOM 710 CA LEU A 48 14.115 -7.605 1.341 1.00 0.00 C ATOM 711 C LEU A 48 12.604 -7.453 1.151 1.00 0.00 C ATOM 712 O LEU A 48 11.943 -8.363 0.652 1.00 0.00 O ATOM 713 CB LEU A 48 14.560 -7.546 2.803 1.00 0.00 C ATOM 714 CG LEU A 48 14.395 -8.837 3.608 1.00 0.00 C ATOM 715 CD1 LEU A 48 15.543 -9.809 3.327 1.00 0.00 C ATOM 716 CD2 LEU A 48 14.250 -8.537 5.101 1.00 0.00 C ATOM 0 H LEU A 48 15.536 -6.092 1.059 1.00 0.00 H new ATOM 0 HA LEU A 48 14.382 -8.602 0.991 1.00 0.00 H new ATOM 0 HB2 LEU A 48 15.610 -7.256 2.831 1.00 0.00 H new ATOM 0 HB3 LEU A 48 13.998 -6.756 3.301 1.00 0.00 H new ATOM 0 HG LEU A 48 13.475 -9.325 3.287 1.00 0.00 H new ATOM 0 HD11 LEU A 48 15.401 -10.718 3.912 1.00 0.00 H new ATOM 0 HD12 LEU A 48 15.557 -10.058 2.266 1.00 0.00 H new ATOM 0 HD13 LEU A 48 16.489 -9.344 3.603 1.00 0.00 H new ATOM 0 HD21 LEU A 48 14.134 -9.471 5.650 1.00 0.00 H new ATOM 0 HD22 LEU A 48 15.139 -8.016 5.455 1.00 0.00 H new ATOM 0 HD23 LEU A 48 13.373 -7.910 5.263 1.00 0.00 H new ATOM 726 N VAL A 49 12.103 -6.297 1.558 1.00 0.00 N ATOM 727 CA VAL A 49 10.682 -6.014 1.439 1.00 0.00 C ATOM 728 C VAL A 49 10.484 -4.789 0.544 1.00 0.00 C ATOM 729 O VAL A 49 11.352 -3.920 0.472 1.00 0.00 O ATOM 730 CB VAL A 49 10.064 -5.845 2.828 1.00 0.00 C ATOM 731 CG1 VAL A 49 8.548 -5.662 2.735 1.00 0.00 C ATOM 732 CG2 VAL A 49 10.419 -7.027 3.733 1.00 0.00 C ATOM 0 H VAL A 49 12.655 -5.545 1.971 1.00 0.00 H new ATOM 0 HA VAL A 49 10.164 -6.849 0.967 1.00 0.00 H new ATOM 0 HB VAL A 49 10.483 -4.943 3.274 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.134 -5.544 3.736 1.00 0.00 H new ATOM 0 HG12 VAL A 49 8.324 -4.775 2.143 1.00 0.00 H new ATOM 0 HG13 VAL A 49 8.104 -6.537 2.259 1.00 0.00 H new ATOM 0 HG21 VAL A 49 9.967 -6.882 4.714 1.00 0.00 H new ATOM 0 HG22 VAL A 49 10.041 -7.949 3.292 1.00 0.00 H new ATOM 0 HG23 VAL A 49 11.502 -7.092 3.838 1.00 0.00 H new ATOM 740 N LYS A 50 9.336 -4.758 -0.117 1.00 0.00 N ATOM 741 CA LYS A 50 9.013 -3.654 -1.005 1.00 0.00 C ATOM 742 C LYS A 50 7.572 -3.206 -0.750 1.00 0.00 C ATOM 743 O LYS A 50 6.768 -3.966 -0.213 1.00 0.00 O ATOM 744 CB LYS A 50 9.290 -4.037 -2.460 1.00 0.00 C ATOM 745 CG LYS A 50 10.253 -3.045 -3.114 1.00 0.00 C ATOM 746 CD LYS A 50 10.546 -3.439 -4.563 1.00 0.00 C ATOM 747 CE LYS A 50 11.799 -4.314 -4.650 1.00 0.00 C ATOM 748 NZ LYS A 50 11.452 -5.670 -5.129 1.00 0.00 N ATOM 0 H LYS A 50 8.618 -5.480 -0.055 1.00 0.00 H new ATOM 0 HA LYS A 50 9.655 -2.798 -0.798 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.713 -5.041 -2.501 1.00 0.00 H new ATOM 0 HB3 LYS A 50 8.354 -4.062 -3.018 1.00 0.00 H new ATOM 0 HG2 LYS A 50 9.824 -2.043 -3.085 1.00 0.00 H new ATOM 0 HG3 LYS A 50 11.184 -3.009 -2.548 1.00 0.00 H new ATOM 0 HD2 LYS A 50 9.693 -3.977 -4.977 1.00 0.00 H new ATOM 0 HD3 LYS A 50 10.682 -2.542 -5.167 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.522 -3.857 -5.326 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.274 -4.378 -3.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 12.313 -6.250 -5.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 10.779 -6.109 -4.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 11.020 -5.605 -6.073 1.00 0.00 H new ATOM 761 N TYR A 51 7.290 -1.974 -1.149 1.00 0.00 N ATOM 762 CA TYR A 51 5.960 -1.416 -0.971 1.00 0.00 C ATOM 763 C TYR A 51 5.457 -0.775 -2.266 1.00 0.00 C ATOM 764 O TYR A 51 6.249 -0.445 -3.148 1.00 0.00 O ATOM 765 CB TYR A 51 6.097 -0.334 0.101 1.00 0.00 C ATOM 766 CG TYR A 51 6.986 -0.734 1.280 1.00 0.00 C ATOM 767 CD1 TYR A 51 6.677 -1.851 2.029 1.00 0.00 C ATOM 768 CD2 TYR A 51 8.098 0.021 1.594 1.00 0.00 C ATOM 769 CE1 TYR A 51 7.513 -2.228 3.139 1.00 0.00 C ATOM 770 CE2 TYR A 51 8.934 -0.356 2.703 1.00 0.00 C ATOM 771 CZ TYR A 51 8.601 -1.462 3.421 1.00 0.00 C ATOM 772 OH TYR A 51 9.391 -1.818 4.469 1.00 0.00 O ATOM 0 H TYR A 51 7.960 -1.347 -1.595 1.00 0.00 H new ATOM 0 HA TYR A 51 5.251 -2.195 -0.690 1.00 0.00 H new ATOM 0 HB2 TYR A 51 6.503 0.568 -0.357 1.00 0.00 H new ATOM 0 HB3 TYR A 51 5.105 -0.082 0.476 1.00 0.00 H new ATOM 0 HD1 TYR A 51 5.808 -2.443 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 51 8.341 0.895 1.007 1.00 0.00 H new ATOM 0 HE1 TYR A 51 7.281 -3.099 3.734 1.00 0.00 H new ATOM 0 HE2 TYR A 51 9.807 0.226 2.959 1.00 0.00 H new ATOM 0 HH TYR A 51 10.131 -1.181 4.552 1.00 0.00 H new ATOM 782 N VAL A 52 4.144 -0.616 -2.339 1.00 0.00 N ATOM 783 CA VAL A 52 3.526 -0.020 -3.511 1.00 0.00 C ATOM 784 C VAL A 52 2.372 0.883 -3.070 1.00 0.00 C ATOM 785 O VAL A 52 1.587 0.512 -2.199 1.00 0.00 O ATOM 786 CB VAL A 52 3.089 -1.115 -4.487 1.00 0.00 C ATOM 787 CG1 VAL A 52 2.188 -0.544 -5.583 1.00 0.00 C ATOM 788 CG2 VAL A 52 4.301 -1.827 -5.090 1.00 0.00 C ATOM 0 H VAL A 52 3.491 -0.890 -1.605 1.00 0.00 H new ATOM 0 HA VAL A 52 4.243 0.605 -4.044 1.00 0.00 H new ATOM 0 HB VAL A 52 2.512 -1.851 -3.928 1.00 0.00 H new ATOM 0 HG11 VAL A 52 1.892 -1.343 -6.263 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.299 -0.104 -5.131 1.00 0.00 H new ATOM 0 HG13 VAL A 52 2.730 0.222 -6.137 1.00 0.00 H new ATOM 0 HG21 VAL A 52 3.963 -2.600 -5.780 1.00 0.00 H new ATOM 0 HG22 VAL A 52 4.917 -1.106 -5.627 1.00 0.00 H new ATOM 0 HG23 VAL A 52 4.888 -2.283 -4.293 1.00 0.00 H new ATOM 796 N CYS A 53 2.306 2.051 -3.692 1.00 0.00 N ATOM 797 CA CYS A 53 1.262 3.010 -3.375 1.00 0.00 C ATOM 798 C CYS A 53 0.500 3.333 -4.662 1.00 0.00 C ATOM 799 O CYS A 53 1.042 3.203 -5.758 1.00 0.00 O ATOM 800 CB CYS A 53 1.830 4.269 -2.717 1.00 0.00 C ATOM 801 SG CYS A 53 1.877 4.223 -0.888 1.00 0.00 S ATOM 0 H CYS A 53 2.959 2.355 -4.414 1.00 0.00 H new ATOM 0 HA CYS A 53 0.577 2.577 -2.646 1.00 0.00 H new ATOM 0 HB2 CYS A 53 2.842 4.432 -3.089 1.00 0.00 H new ATOM 0 HB3 CYS A 53 1.234 5.126 -3.030 1.00 0.00 H new ATOM 806 N CYS A 54 -0.746 3.749 -4.485 1.00 0.00 N ATOM 807 CA CYS A 54 -1.588 4.092 -5.619 1.00 0.00 C ATOM 808 C CYS A 54 -2.822 4.829 -5.095 1.00 0.00 C ATOM 809 O CYS A 54 -3.323 4.519 -4.015 1.00 0.00 O ATOM 810 CB CYS A 54 -1.967 2.856 -6.437 1.00 0.00 C ATOM 811 SG CYS A 54 -2.018 1.292 -5.487 1.00 0.00 S ATOM 0 H CYS A 54 -1.192 3.856 -3.574 1.00 0.00 H new ATOM 0 HA CYS A 54 -1.038 4.742 -6.299 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -2.945 3.022 -6.888 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -1.254 2.745 -7.254 1.00 0.00 H new ATOM 816 N ASN A 55 -3.277 5.791 -5.884 1.00 0.00 N ATOM 817 CA ASN A 55 -4.442 6.575 -5.513 1.00 0.00 C ATOM 818 C ASN A 55 -5.647 6.109 -6.333 1.00 0.00 C ATOM 819 O ASN A 55 -6.187 6.869 -7.136 1.00 0.00 O ATOM 820 CB ASN A 55 -4.221 8.062 -5.801 1.00 0.00 C ATOM 821 CG ASN A 55 -3.710 8.274 -7.227 1.00 0.00 C ATOM 822 OD1 ASN A 55 -2.618 7.869 -7.590 1.00 0.00 O ATOM 823 ND2 ASN A 55 -4.559 8.929 -8.014 1.00 0.00 N ATOM 0 H ASN A 55 -2.859 6.045 -6.779 1.00 0.00 H new ATOM 0 HA ASN A 55 -4.615 6.436 -4.446 1.00 0.00 H new ATOM 0 HB2 ASN A 55 -5.155 8.606 -5.661 1.00 0.00 H new ATOM 0 HB3 ASN A 55 -3.504 8.471 -5.089 1.00 0.00 H new ATOM 0 HD21 ASN A 55 -4.311 9.120 -8.985 1.00 0.00 H new ATOM 0 HD22 ASN A 55 -5.458 9.241 -7.647 1.00 0.00 H new ATOM 830 N THR A 56 -6.033 4.863 -6.102 1.00 0.00 N ATOM 831 CA THR A 56 -7.164 4.286 -6.810 1.00 0.00 C ATOM 832 C THR A 56 -8.007 3.432 -5.861 1.00 0.00 C ATOM 833 O THR A 56 -7.500 2.921 -4.864 1.00 0.00 O ATOM 834 CB THR A 56 -6.623 3.508 -8.011 1.00 0.00 C ATOM 835 OG1 THR A 56 -5.506 2.794 -7.488 1.00 0.00 O ATOM 836 CG2 THR A 56 -6.015 4.423 -9.076 1.00 0.00 C ATOM 0 H THR A 56 -5.583 4.237 -5.435 1.00 0.00 H new ATOM 0 HA THR A 56 -7.835 5.060 -7.182 1.00 0.00 H new ATOM 0 HB THR A 56 -7.427 2.920 -8.454 1.00 0.00 H new ATOM 0 HG1 THR A 56 -5.096 2.261 -8.201 1.00 0.00 H new ATOM 0 HG21 THR A 56 -5.646 3.820 -9.906 1.00 0.00 H new ATOM 0 HG22 THR A 56 -6.776 5.114 -9.439 1.00 0.00 H new ATOM 0 HG23 THR A 56 -5.189 4.987 -8.643 1.00 0.00 H new ATOM 843 N ASP A 57 -9.294 3.279 -6.178 1.00 0.00 N ATOM 844 CA ASP A 57 -10.195 2.494 -5.359 1.00 0.00 C ATOM 845 C ASP A 57 -9.775 1.032 -5.387 1.00 0.00 C ATOM 846 O ASP A 57 -9.660 0.437 -6.456 1.00 0.00 O ATOM 847 CB ASP A 57 -11.622 2.656 -5.876 1.00 0.00 C ATOM 848 CG ASP A 57 -12.395 3.660 -5.032 1.00 0.00 C ATOM 849 OD1 ASP A 57 -12.116 3.712 -3.815 1.00 0.00 O ATOM 850 OD2 ASP A 57 -13.250 4.356 -5.621 1.00 0.00 O ATOM 0 H ASP A 57 -9.729 3.694 -7.002 1.00 0.00 H new ATOM 0 HA ASP A 57 -10.154 2.844 -4.328 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -11.601 2.987 -6.914 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -12.131 1.692 -5.859 1.00 0.00 H new ATOM 856 N LYS A 58 -9.554 0.489 -4.198 1.00 0.00 N ATOM 857 CA LYS A 58 -9.146 -0.900 -4.075 1.00 0.00 C ATOM 858 C LYS A 58 -7.870 -1.126 -4.888 1.00 0.00 C ATOM 859 O LYS A 58 -7.809 -2.035 -5.715 1.00 0.00 O ATOM 860 CB LYS A 58 -10.295 -1.833 -4.462 1.00 0.00 C ATOM 861 CG LYS A 58 -10.830 -2.581 -3.239 1.00 0.00 C ATOM 862 CD LYS A 58 -11.652 -3.801 -3.659 1.00 0.00 C ATOM 863 CE LYS A 58 -13.078 -3.397 -4.042 1.00 0.00 C ATOM 864 NZ LYS A 58 -13.350 -3.734 -5.457 1.00 0.00 N ATOM 0 H LYS A 58 -9.650 0.986 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 58 -8.910 -1.137 -3.038 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.098 -1.256 -4.920 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -9.951 -2.549 -5.209 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -9.998 -2.898 -2.609 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -11.447 -1.911 -2.640 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -11.171 -4.295 -4.503 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -11.682 -4.523 -2.843 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.793 -3.908 -3.397 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -13.214 -2.327 -3.884 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -14.321 -3.453 -5.700 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -12.680 -3.227 -6.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -13.240 -4.759 -5.597 1.00 0.00 H new ATOM 877 N CYS A 59 -6.881 -0.285 -4.623 1.00 0.00 N ATOM 878 CA CYS A 59 -5.610 -0.382 -5.320 1.00 0.00 C ATOM 879 C CYS A 59 -4.677 -1.272 -4.497 1.00 0.00 C ATOM 880 O CYS A 59 -4.018 -2.157 -5.040 1.00 0.00 O ATOM 881 CB CYS A 59 -5.000 0.998 -5.580 1.00 0.00 C ATOM 882 SG CYS A 59 -3.726 1.513 -4.372 1.00 0.00 S ATOM 0 H CYS A 59 -6.934 0.466 -3.935 1.00 0.00 H new ATOM 0 HA CYS A 59 -5.765 -0.829 -6.302 1.00 0.00 H new ATOM 0 HB2 CYS A 59 -4.559 1.003 -6.577 1.00 0.00 H new ATOM 0 HB3 CYS A 59 -5.800 1.739 -5.582 1.00 0.00 H new ATOM 887 N ASN A 60 -4.651 -1.007 -3.199 1.00 0.00 N ATOM 888 CA ASN A 60 -3.810 -1.773 -2.295 1.00 0.00 C ATOM 889 C ASN A 60 -4.498 -3.100 -1.967 1.00 0.00 C ATOM 890 O ASN A 60 -5.432 -3.506 -2.657 1.00 0.00 O ATOM 891 CB ASN A 60 -3.584 -1.021 -0.982 1.00 0.00 C ATOM 892 CG ASN A 60 -4.796 -1.155 -0.058 1.00 0.00 C ATOM 893 OD1 ASN A 60 -5.914 -1.386 -0.487 1.00 0.00 O ATOM 894 ND2 ASN A 60 -4.512 -0.997 1.232 1.00 0.00 N ATOM 0 H ASN A 60 -5.199 -0.272 -2.752 1.00 0.00 H new ATOM 0 HA ASN A 60 -2.851 -1.938 -2.786 1.00 0.00 H new ATOM 0 HB2 ASN A 60 -2.697 -1.411 -0.483 1.00 0.00 H new ATOM 0 HB3 ASN A 60 -3.395 0.032 -1.190 1.00 0.00 H new ATOM 0 HD21 ASN A 60 -5.253 -1.068 1.930 1.00 0.00 H new ATOM 0 HD22 ASN A 60 -3.553 -0.805 1.523 1.00 0.00 H new