USER MOD reduce.3.24.130724 H: found=0, std=0, add=581, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 568 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 68 CYS SG : rot 140:sc= 0.676 USER MOD Set 1.2: A 69 ASN : amide:sc= -1.72! C(o=-7.7!,f=-14!) USER MOD Set 1.3: A 71 CYS SG : rot -38:sc= -1.87 USER MOD Set 1.4: A 84 HIS : no HE2:sc= -5.15! K(o=-7.7!,f=-6.7) USER MOD Set 1.5: A 88 CYS SG : rot 163:sc= 0.338 USER MOD Set 2.1: A 51 HIS : no HD1:sc= -4.01! X(o=-8!,f=-7.9) USER MOD Set 2.2: A 52 HIS : no HD1:sc= -3.97! C(o=-8!,f=-8.6!) USER MOD Set 3.1: A 40 CYS SG : rot 9:sc= -2.13 USER MOD Set 3.2: A 43 CYS SG : rot -65:sc= -1.58 USER MOD Set 3.3: A 56 HIS : no HD1:sc= -3.02! K(o=-15!,f=-16) USER MOD Set 3.4: A 57 MET CE :methyl 174:sc= -4.69! (180deg=-2.94!) USER MOD Set 3.5: A 60 HIS : no HE2:sc= -3.38 K(o=-15,f=-16) USER MOD Set 4.1: A 13 CYS SG : rot -171:sc= 0.369 USER MOD Set 4.2: A 15 CYS SG : rot -67:sc= 0.59 USER MOD Set 4.3: A 28 HIS : no HD1:sc= -0.444 K(o=-2.6,f=-3.5) USER MOD Set 4.4: A 31 MET CE :methyl -146:sc= 0 (180deg=-0.00295) USER MOD Set 4.5: A 32 HIS : no HD1:sc= -3.13 X(o=-2.6,f=-2.5) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN : amide:sc= -0.0266 X(o=-0.027,f=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 33:sc= 0.0531 USER MOD Single : A 20 THR OG1 : rot 180:sc= 0 USER MOD Single : A 21 HIS : no HD1:sc= -0.197 X(o=-0.2,f=-0.056) USER MOD Single : A 22 LYS NZ :NH3+ 160:sc= -0.0374 (180deg=-0.327) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 GLN : amide:sc= 0.777 K(o=0.78,f=-4.8!) USER MOD Single : A 29 MET CE :methyl 148:sc= -0.38 (180deg=-2.02!) USER MOD Single : A 30 SER OG : rot -33:sc= 0.244 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 MET CE :methyl -172:sc= 0 (180deg=-0.0562) USER MOD Single : A 80 SER OG : rot -33:sc= -1.73 USER MOD Single : A 82 HIS : no HD1:sc= -0.154 X(o=-0.15,f=-0.37) USER MOD Single : A 86 THR OG1 : rot 63:sc= 1.06 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 THR OG1 : rot 73:sc= 0.145 USER MOD Single : A 90 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0755) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 119 N TYR A 11 1.941 6.888 16.882 1.00 0.00 N ATOM 120 CA TYR A 11 3.387 6.728 16.985 1.00 0.00 C ATOM 121 C TYR A 11 4.055 6.933 15.629 1.00 0.00 C ATOM 122 O TYR A 11 3.866 6.158 14.691 1.00 0.00 O ATOM 123 CB TYR A 11 3.730 5.341 17.531 1.00 0.00 C ATOM 124 CG TYR A 11 3.151 5.069 18.901 1.00 0.00 C ATOM 125 CD1 TYR A 11 1.777 5.058 19.107 1.00 0.00 C ATOM 126 CD2 TYR A 11 3.979 4.823 19.990 1.00 0.00 C ATOM 127 CE1 TYR A 11 1.244 4.810 20.357 1.00 0.00 C ATOM 128 CE2 TYR A 11 3.454 4.573 21.243 1.00 0.00 C ATOM 129 CZ TYR A 11 2.086 4.569 21.422 1.00 0.00 C ATOM 130 OH TYR A 11 1.559 4.320 22.668 1.00 0.00 O ATOM 0 HA TYR A 11 3.763 7.485 17.673 1.00 0.00 H new ATOM 0 HB2 TYR A 11 3.365 4.585 16.835 1.00 0.00 H new ATOM 0 HB3 TYR A 11 4.814 5.236 17.576 1.00 0.00 H new ATOM 0 HD1 TYR A 11 1.114 5.247 18.275 1.00 0.00 H new ATOM 0 HD2 TYR A 11 5.050 4.827 19.854 1.00 0.00 H new ATOM 0 HE1 TYR A 11 0.173 4.805 20.499 1.00 0.00 H new ATOM 0 HE2 TYR A 11 4.111 4.382 22.078 1.00 0.00 H new ATOM 0 HH TYR A 11 2.287 4.169 23.307 1.00 0.00 H new ATOM 140 N PRO A 12 4.858 8.002 15.522 1.00 0.00 N ATOM 141 CA PRO A 12 5.573 8.335 14.286 1.00 0.00 C ATOM 142 C PRO A 12 6.689 7.343 13.977 1.00 0.00 C ATOM 143 O PRO A 12 7.544 7.072 14.822 1.00 0.00 O ATOM 144 CB PRO A 12 6.153 9.721 14.574 1.00 0.00 C ATOM 145 CG PRO A 12 6.274 9.781 16.058 1.00 0.00 C ATOM 146 CD PRO A 12 5.130 8.968 16.599 1.00 0.00 C ATOM 0 HA PRO A 12 4.918 8.305 13.415 1.00 0.00 H new ATOM 0 HB2 PRO A 12 7.122 9.852 14.092 1.00 0.00 H new ATOM 0 HB3 PRO A 12 5.501 10.509 14.198 1.00 0.00 H new ATOM 0 HG2 PRO A 12 7.231 9.377 16.388 1.00 0.00 H new ATOM 0 HG3 PRO A 12 6.223 10.810 16.413 1.00 0.00 H new ATOM 0 HD2 PRO A 12 5.398 8.467 17.530 1.00 0.00 H new ATOM 0 HD3 PRO A 12 4.260 9.590 16.810 1.00 0.00 H new ATOM 154 N CYS A 13 6.678 6.805 12.763 1.00 0.00 N ATOM 155 CA CYS A 13 7.689 5.843 12.342 1.00 0.00 C ATOM 156 C CYS A 13 8.828 6.540 11.604 1.00 0.00 C ATOM 157 O CYS A 13 8.679 7.669 11.137 1.00 0.00 O ATOM 158 CB CYS A 13 7.064 4.774 11.444 1.00 0.00 C ATOM 159 SG CYS A 13 8.119 3.312 11.183 1.00 0.00 S ATOM 0 H CYS A 13 5.979 7.019 12.052 1.00 0.00 H new ATOM 0 HA CYS A 13 8.095 5.366 13.234 1.00 0.00 H new ATOM 0 HB2 CYS A 13 6.119 4.453 11.883 1.00 0.00 H new ATOM 0 HB3 CYS A 13 6.831 5.218 10.476 1.00 0.00 H new ATOM 0 HG CYS A 13 7.587 2.550 10.274 1.00 0.00 H new ATOM 164 N GLN A 14 9.965 5.859 11.503 1.00 0.00 N ATOM 165 CA GLN A 14 11.129 6.412 10.822 1.00 0.00 C ATOM 166 C GLN A 14 10.813 6.715 9.361 1.00 0.00 C ATOM 167 O GLN A 14 11.257 7.725 8.814 1.00 0.00 O ATOM 168 CB GLN A 14 12.308 5.442 10.911 1.00 0.00 C ATOM 169 CG GLN A 14 13.647 6.078 10.574 1.00 0.00 C ATOM 170 CD GLN A 14 14.823 5.197 10.949 1.00 0.00 C ATOM 171 OE1 GLN A 14 15.712 5.613 11.692 1.00 0.00 O ATOM 172 NE2 GLN A 14 14.833 3.973 10.435 1.00 0.00 N ATOM 0 H GLN A 14 10.105 4.923 11.884 1.00 0.00 H new ATOM 0 HA GLN A 14 11.398 7.345 11.317 1.00 0.00 H new ATOM 0 HB2 GLN A 14 12.354 5.031 11.920 1.00 0.00 H new ATOM 0 HB3 GLN A 14 12.132 4.606 10.234 1.00 0.00 H new ATOM 0 HG2 GLN A 14 13.685 6.292 9.506 1.00 0.00 H new ATOM 0 HG3 GLN A 14 13.733 7.032 11.094 1.00 0.00 H new ATOM 0 HE21 GLN A 14 14.075 3.670 9.824 1.00 0.00 H new ATOM 0 HE22 GLN A 14 15.599 3.335 10.652 1.00 0.00 H new ATOM 181 N CYS A 15 10.043 5.832 8.733 1.00 0.00 N ATOM 182 CA CYS A 15 9.668 6.003 7.334 1.00 0.00 C ATOM 183 C CYS A 15 8.744 7.206 7.162 1.00 0.00 C ATOM 184 O CYS A 15 8.755 7.866 6.124 1.00 0.00 O ATOM 185 CB CYS A 15 8.981 4.740 6.811 1.00 0.00 C ATOM 186 SG CYS A 15 7.468 4.286 7.717 1.00 0.00 S ATOM 0 H CYS A 15 9.667 4.991 9.171 1.00 0.00 H new ATOM 0 HA CYS A 15 10.577 6.179 6.759 1.00 0.00 H new ATOM 0 HB2 CYS A 15 8.732 4.884 5.759 1.00 0.00 H new ATOM 0 HB3 CYS A 15 9.685 3.909 6.862 1.00 0.00 H new ATOM 0 HG CYS A 15 7.778 3.932 8.929 1.00 0.00 H new ATOM 191 N GLY A 16 7.946 7.484 8.189 1.00 0.00 N ATOM 192 CA GLY A 16 7.028 8.606 8.131 1.00 0.00 C ATOM 193 C GLY A 16 5.625 8.230 8.565 1.00 0.00 C ATOM 194 O GLY A 16 4.892 9.057 9.108 1.00 0.00 O ATOM 0 H GLY A 16 7.919 6.952 9.059 1.00 0.00 H new ATOM 0 HA2 GLY A 16 7.399 9.409 8.768 1.00 0.00 H new ATOM 0 HA3 GLY A 16 6.998 8.995 7.113 1.00 0.00 H new ATOM 198 N LYS A 17 5.248 6.979 8.325 1.00 0.00 N ATOM 199 CA LYS A 17 3.924 6.493 8.693 1.00 0.00 C ATOM 200 C LYS A 17 3.730 6.538 10.206 1.00 0.00 C ATOM 201 O LYS A 17 4.697 6.601 10.964 1.00 0.00 O ATOM 202 CB LYS A 17 3.722 5.064 8.185 1.00 0.00 C ATOM 203 CG LYS A 17 3.888 4.925 6.681 1.00 0.00 C ATOM 204 CD LYS A 17 3.952 3.466 6.260 1.00 0.00 C ATOM 205 CE LYS A 17 4.445 3.320 4.829 1.00 0.00 C ATOM 206 NZ LYS A 17 3.349 3.520 3.841 1.00 0.00 N ATOM 0 H LYS A 17 5.842 6.282 7.876 1.00 0.00 H new ATOM 0 HA LYS A 17 3.184 7.144 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.434 4.406 8.683 1.00 0.00 H new ATOM 0 HB3 LYS A 17 2.725 4.725 8.465 1.00 0.00 H new ATOM 0 HG2 LYS A 17 3.056 5.414 6.175 1.00 0.00 H new ATOM 0 HG3 LYS A 17 4.798 5.436 6.366 1.00 0.00 H new ATOM 0 HD2 LYS A 17 4.615 2.921 6.932 1.00 0.00 H new ATOM 0 HD3 LYS A 17 2.964 3.016 6.353 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.238 4.044 4.643 1.00 0.00 H new ATOM 0 HE3 LYS A 17 4.879 2.329 4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 3.726 3.412 2.878 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 2.603 2.813 4.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 2.951 4.474 3.952 1.00 0.00 H new ATOM 220 N SER A 18 2.473 6.504 10.638 1.00 0.00 N ATOM 221 CA SER A 18 2.152 6.542 12.060 1.00 0.00 C ATOM 222 C SER A 18 1.119 5.476 12.413 1.00 0.00 C ATOM 223 O SER A 18 0.088 5.352 11.753 1.00 0.00 O ATOM 224 CB SER A 18 1.627 7.926 12.448 1.00 0.00 C ATOM 225 OG SER A 18 0.576 8.332 11.588 1.00 0.00 O ATOM 0 H SER A 18 1.661 6.450 10.024 1.00 0.00 H new ATOM 0 HA SER A 18 3.065 6.337 12.619 1.00 0.00 H new ATOM 0 HB2 SER A 18 1.272 7.908 13.478 1.00 0.00 H new ATOM 0 HB3 SER A 18 2.439 8.652 12.403 1.00 0.00 H new ATOM 0 HG SER A 18 0.065 7.546 11.302 1.00 0.00 H new ATOM 231 N PHE A 19 1.405 4.708 13.459 1.00 0.00 N ATOM 232 CA PHE A 19 0.503 3.652 13.901 1.00 0.00 C ATOM 233 C PHE A 19 -0.215 4.051 15.187 1.00 0.00 C ATOM 234 O PHE A 19 0.105 5.071 15.799 1.00 0.00 O ATOM 235 CB PHE A 19 1.276 2.349 14.119 1.00 0.00 C ATOM 236 CG PHE A 19 2.093 1.931 12.929 1.00 0.00 C ATOM 237 CD1 PHE A 19 3.207 2.660 12.547 1.00 0.00 C ATOM 238 CD2 PHE A 19 1.746 0.809 12.194 1.00 0.00 C ATOM 239 CE1 PHE A 19 3.960 2.277 11.452 1.00 0.00 C ATOM 240 CE2 PHE A 19 2.495 0.421 11.099 1.00 0.00 C ATOM 241 CZ PHE A 19 3.604 1.156 10.729 1.00 0.00 C ATOM 0 H PHE A 19 2.255 4.798 14.016 1.00 0.00 H new ATOM 0 HA PHE A 19 -0.244 3.498 13.122 1.00 0.00 H new ATOM 0 HB2 PHE A 19 1.935 2.466 14.979 1.00 0.00 H new ATOM 0 HB3 PHE A 19 0.571 1.554 14.363 1.00 0.00 H new ATOM 0 HD1 PHE A 19 3.491 3.537 13.110 1.00 0.00 H new ATOM 0 HD2 PHE A 19 0.880 0.231 12.480 1.00 0.00 H new ATOM 0 HE1 PHE A 19 4.826 2.854 11.163 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.213 -0.455 10.534 1.00 0.00 H new ATOM 0 HZ PHE A 19 4.192 0.854 9.875 1.00 0.00 H new ATOM 251 N THR A 20 -1.188 3.241 15.591 1.00 0.00 N ATOM 252 CA THR A 20 -1.953 3.510 16.802 1.00 0.00 C ATOM 253 C THR A 20 -1.229 2.986 18.037 1.00 0.00 C ATOM 254 O THR A 20 -1.302 3.583 19.111 1.00 0.00 O ATOM 255 CB THR A 20 -3.354 2.874 16.734 1.00 0.00 C ATOM 256 OG1 THR A 20 -3.988 3.216 15.497 1.00 0.00 O ATOM 257 CG2 THR A 20 -4.217 3.340 17.897 1.00 0.00 C ATOM 0 H THR A 20 -1.465 2.393 15.097 1.00 0.00 H new ATOM 0 HA THR A 20 -2.057 4.592 16.877 1.00 0.00 H new ATOM 0 HB THR A 20 -3.241 1.792 16.797 1.00 0.00 H new ATOM 0 HG1 THR A 20 -4.878 2.806 15.461 1.00 0.00 H new ATOM 0 HG21 THR A 20 -5.202 2.878 17.828 1.00 0.00 H new ATOM 0 HG22 THR A 20 -3.747 3.052 18.837 1.00 0.00 H new ATOM 0 HG23 THR A 20 -4.322 4.424 17.861 1.00 0.00 H new ATOM 265 N HIS A 21 -0.529 1.867 17.877 1.00 0.00 N ATOM 266 CA HIS A 21 0.210 1.264 18.980 1.00 0.00 C ATOM 267 C HIS A 21 1.714 1.407 18.769 1.00 0.00 C ATOM 268 O HIS A 21 2.169 1.754 17.678 1.00 0.00 O ATOM 269 CB HIS A 21 -0.159 -0.213 19.122 1.00 0.00 C ATOM 270 CG HIS A 21 -1.412 -0.445 19.907 1.00 0.00 C ATOM 271 ND1 HIS A 21 -2.131 -1.620 19.849 1.00 0.00 N ATOM 272 CD2 HIS A 21 -2.074 0.356 20.776 1.00 0.00 C ATOM 273 CE1 HIS A 21 -3.181 -1.532 20.645 1.00 0.00 C ATOM 274 NE2 HIS A 21 -3.169 -0.343 21.220 1.00 0.00 N ATOM 0 H HIS A 21 -0.458 1.360 16.995 1.00 0.00 H new ATOM 0 HA HIS A 21 -0.062 1.788 19.896 1.00 0.00 H new ATOM 0 HB2 HIS A 21 -0.277 -0.646 18.129 1.00 0.00 H new ATOM 0 HB3 HIS A 21 0.665 -0.740 19.604 1.00 0.00 H new ATOM 0 HD2 HIS A 21 -1.793 1.358 21.066 1.00 0.00 H new ATOM 0 HE1 HIS A 21 -3.923 -2.301 20.800 1.00 0.00 H new ATOM 0 HE2 HIS A 21 -3.861 0.000 21.886 1.00 0.00 H new ATOM 282 N LYS A 22 2.483 1.137 19.818 1.00 0.00 N ATOM 283 CA LYS A 22 3.936 1.235 19.749 1.00 0.00 C ATOM 284 C LYS A 22 4.533 0.001 19.078 1.00 0.00 C ATOM 285 O LYS A 22 5.488 0.103 18.308 1.00 0.00 O ATOM 286 CB LYS A 22 4.525 1.400 21.152 1.00 0.00 C ATOM 287 CG LYS A 22 6.026 1.630 21.158 1.00 0.00 C ATOM 288 CD LYS A 22 6.460 2.443 22.366 1.00 0.00 C ATOM 289 CE LYS A 22 6.578 1.575 23.609 1.00 0.00 C ATOM 290 NZ LYS A 22 7.711 0.613 23.509 1.00 0.00 N ATOM 0 H LYS A 22 2.123 0.848 20.728 1.00 0.00 H new ATOM 0 HA LYS A 22 4.188 2.111 19.151 1.00 0.00 H new ATOM 0 HB2 LYS A 22 4.035 2.239 21.646 1.00 0.00 H new ATOM 0 HB3 LYS A 22 4.300 0.509 21.739 1.00 0.00 H new ATOM 0 HG2 LYS A 22 6.542 0.670 21.160 1.00 0.00 H new ATOM 0 HG3 LYS A 22 6.319 2.148 20.245 1.00 0.00 H new ATOM 0 HD2 LYS A 22 7.419 2.918 22.160 1.00 0.00 H new ATOM 0 HD3 LYS A 22 5.741 3.242 22.546 1.00 0.00 H new ATOM 0 HE2 LYS A 22 6.717 2.210 24.484 1.00 0.00 H new ATOM 0 HE3 LYS A 22 5.648 1.026 23.758 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 7.975 0.288 24.461 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 7.424 -0.203 22.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 8.526 1.082 23.065 1.00 0.00 H new ATOM 304 N SER A 23 3.962 -1.162 19.374 1.00 0.00 N ATOM 305 CA SER A 23 4.439 -2.415 18.801 1.00 0.00 C ATOM 306 C SER A 23 4.285 -2.412 17.283 1.00 0.00 C ATOM 307 O SER A 23 5.219 -2.745 16.554 1.00 0.00 O ATOM 308 CB SER A 23 3.675 -3.598 19.400 1.00 0.00 C ATOM 309 OG SER A 23 4.159 -3.915 20.693 1.00 0.00 O ATOM 0 H SER A 23 3.169 -1.263 20.007 1.00 0.00 H new ATOM 0 HA SER A 23 5.497 -2.516 19.041 1.00 0.00 H new ATOM 0 HB2 SER A 23 2.613 -3.359 19.454 1.00 0.00 H new ATOM 0 HB3 SER A 23 3.774 -4.466 18.748 1.00 0.00 H new ATOM 0 HG SER A 23 3.654 -4.673 21.055 1.00 0.00 H new ATOM 315 N GLN A 24 3.100 -2.033 16.815 1.00 0.00 N ATOM 316 CA GLN A 24 2.823 -1.987 15.385 1.00 0.00 C ATOM 317 C GLN A 24 3.835 -1.104 14.662 1.00 0.00 C ATOM 318 O GLN A 24 4.264 -1.415 13.551 1.00 0.00 O ATOM 319 CB GLN A 24 1.406 -1.469 15.135 1.00 0.00 C ATOM 320 CG GLN A 24 0.356 -2.567 15.089 1.00 0.00 C ATOM 321 CD GLN A 24 0.566 -3.528 13.936 1.00 0.00 C ATOM 322 OE1 GLN A 24 1.164 -3.174 12.919 1.00 0.00 O ATOM 323 NE2 GLN A 24 0.073 -4.752 14.087 1.00 0.00 N ATOM 0 H GLN A 24 2.317 -1.753 17.406 1.00 0.00 H new ATOM 0 HA GLN A 24 2.907 -3.000 14.992 1.00 0.00 H new ATOM 0 HB2 GLN A 24 1.144 -0.760 15.920 1.00 0.00 H new ATOM 0 HB3 GLN A 24 1.389 -0.922 14.192 1.00 0.00 H new ATOM 0 HG2 GLN A 24 0.375 -3.122 16.027 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -0.633 -2.116 15.005 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -0.416 -5.003 14.947 1.00 0.00 H new ATOM 0 HE22 GLN A 24 0.183 -5.441 13.343 1.00 0.00 H new ATOM 332 N ARG A 25 4.212 -0.001 15.301 1.00 0.00 N ATOM 333 CA ARG A 25 5.173 0.929 14.718 1.00 0.00 C ATOM 334 C ARG A 25 6.593 0.381 14.826 1.00 0.00 C ATOM 335 O ARG A 25 7.400 0.536 13.909 1.00 0.00 O ATOM 336 CB ARG A 25 5.084 2.289 15.413 1.00 0.00 C ATOM 337 CG ARG A 25 6.123 3.288 14.929 1.00 0.00 C ATOM 338 CD ARG A 25 7.397 3.210 15.754 1.00 0.00 C ATOM 339 NE ARG A 25 7.162 3.542 17.157 1.00 0.00 N ATOM 340 CZ ARG A 25 8.069 3.376 18.113 1.00 0.00 C ATOM 341 NH1 ARG A 25 9.265 2.885 17.819 1.00 0.00 N ATOM 342 NH2 ARG A 25 7.780 3.701 19.367 1.00 0.00 N ATOM 0 H ARG A 25 3.867 0.271 16.222 1.00 0.00 H new ATOM 0 HA ARG A 25 4.929 1.052 13.663 1.00 0.00 H new ATOM 0 HB2 ARG A 25 4.089 2.705 15.253 1.00 0.00 H new ATOM 0 HB3 ARG A 25 5.201 2.147 16.487 1.00 0.00 H new ATOM 0 HG2 ARG A 25 6.354 3.095 13.881 1.00 0.00 H new ATOM 0 HG3 ARG A 25 5.713 4.297 14.985 1.00 0.00 H new ATOM 0 HD2 ARG A 25 7.813 2.205 15.684 1.00 0.00 H new ATOM 0 HD3 ARG A 25 8.140 3.892 15.340 1.00 0.00 H new ATOM 0 HE ARG A 25 6.252 3.922 17.417 1.00 0.00 H new ATOM 0 HH11 ARG A 25 9.491 2.634 16.857 1.00 0.00 H new ATOM 0 HH12 ARG A 25 9.959 2.759 18.555 1.00 0.00 H new ATOM 0 HH21 ARG A 25 6.861 4.079 19.597 1.00 0.00 H new ATOM 0 HH22 ARG A 25 8.477 3.573 20.101 1.00 0.00 H new ATOM 356 N ASP A 26 6.891 -0.258 15.952 1.00 0.00 N ATOM 357 CA ASP A 26 8.213 -0.829 16.180 1.00 0.00 C ATOM 358 C ASP A 26 8.550 -1.864 15.111 1.00 0.00 C ATOM 359 O ASP A 26 9.584 -1.772 14.448 1.00 0.00 O ATOM 360 CB ASP A 26 8.284 -1.468 17.567 1.00 0.00 C ATOM 361 CG ASP A 26 9.703 -1.807 17.977 1.00 0.00 C ATOM 362 OD1 ASP A 26 10.562 -1.951 17.081 1.00 0.00 O ATOM 363 OD2 ASP A 26 9.956 -1.929 19.194 1.00 0.00 O ATOM 0 H ASP A 26 6.235 -0.393 16.721 1.00 0.00 H new ATOM 0 HA ASP A 26 8.944 -0.023 16.123 1.00 0.00 H new ATOM 0 HB2 ASP A 26 7.850 -0.788 18.300 1.00 0.00 H new ATOM 0 HB3 ASP A 26 7.680 -2.375 17.577 1.00 0.00 H new ATOM 368 N ARG A 27 7.672 -2.848 14.950 1.00 0.00 N ATOM 369 CA ARG A 27 7.877 -3.901 13.963 1.00 0.00 C ATOM 370 C ARG A 27 8.154 -3.309 12.585 1.00 0.00 C ATOM 371 O ARG A 27 8.892 -3.887 11.786 1.00 0.00 O ATOM 372 CB ARG A 27 6.653 -4.816 13.900 1.00 0.00 C ATOM 373 CG ARG A 27 5.400 -4.123 13.392 1.00 0.00 C ATOM 374 CD ARG A 27 4.366 -5.127 12.906 1.00 0.00 C ATOM 375 NE ARG A 27 3.412 -4.525 11.978 1.00 0.00 N ATOM 376 CZ ARG A 27 3.685 -4.279 10.701 1.00 0.00 C ATOM 377 NH1 ARG A 27 4.876 -4.583 10.204 1.00 0.00 N ATOM 378 NH2 ARG A 27 2.765 -3.729 9.919 1.00 0.00 N ATOM 0 H ARG A 27 6.812 -2.938 15.490 1.00 0.00 H new ATOM 0 HA ARG A 27 8.744 -4.486 14.269 1.00 0.00 H new ATOM 0 HB2 ARG A 27 6.877 -5.664 13.253 1.00 0.00 H new ATOM 0 HB3 ARG A 27 6.458 -5.217 14.895 1.00 0.00 H new ATOM 0 HG2 ARG A 27 4.971 -3.514 14.188 1.00 0.00 H new ATOM 0 HG3 ARG A 27 5.662 -3.446 12.579 1.00 0.00 H new ATOM 0 HD2 ARG A 27 4.871 -5.960 12.417 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.830 -5.538 13.761 1.00 0.00 H new ATOM 0 HE ARG A 27 2.486 -4.280 12.329 1.00 0.00 H new ATOM 0 HH11 ARG A 27 5.585 -5.007 10.802 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.083 -4.393 9.223 1.00 0.00 H new ATOM 0 HH21 ARG A 27 1.847 -3.495 10.298 1.00 0.00 H new ATOM 0 HH22 ARG A 27 2.975 -3.540 8.939 1.00 0.00 H new ATOM 392 N HIS A 28 7.557 -2.153 12.312 1.00 0.00 N ATOM 393 CA HIS A 28 7.739 -1.482 11.030 1.00 0.00 C ATOM 394 C HIS A 28 9.092 -0.781 10.971 1.00 0.00 C ATOM 395 O HIS A 28 9.740 -0.747 9.925 1.00 0.00 O ATOM 396 CB HIS A 28 6.617 -0.470 10.796 1.00 0.00 C ATOM 397 CG HIS A 28 6.416 -0.121 9.353 1.00 0.00 C ATOM 398 ND1 HIS A 28 7.000 0.976 8.756 1.00 0.00 N ATOM 399 CD2 HIS A 28 5.691 -0.733 8.387 1.00 0.00 C ATOM 400 CE1 HIS A 28 6.642 1.025 7.485 1.00 0.00 C ATOM 401 NE2 HIS A 28 5.848 -0.001 7.236 1.00 0.00 N ATOM 0 H HIS A 28 6.943 -1.662 12.962 1.00 0.00 H new ATOM 0 HA HIS A 28 7.706 -2.237 10.245 1.00 0.00 H new ATOM 0 HB2 HIS A 28 5.687 -0.872 11.197 1.00 0.00 H new ATOM 0 HB3 HIS A 28 6.837 0.440 11.354 1.00 0.00 H new ATOM 0 HD2 HIS A 28 5.100 -1.630 8.501 1.00 0.00 H new ATOM 0 HE1 HIS A 28 6.947 1.776 6.771 1.00 0.00 H new ATOM 0 HE2 HIS A 28 5.421 -0.215 6.335 1.00 0.00 H new ATOM 409 N MET A 29 9.513 -0.221 12.101 1.00 0.00 N ATOM 410 CA MET A 29 10.790 0.479 12.177 1.00 0.00 C ATOM 411 C MET A 29 11.952 -0.483 11.946 1.00 0.00 C ATOM 412 O MET A 29 12.857 -0.200 11.160 1.00 0.00 O ATOM 413 CB MET A 29 10.941 1.161 13.538 1.00 0.00 C ATOM 414 CG MET A 29 10.387 2.576 13.573 1.00 0.00 C ATOM 415 SD MET A 29 11.049 3.548 14.939 1.00 0.00 S ATOM 416 CE MET A 29 12.803 3.487 14.579 1.00 0.00 C ATOM 0 H MET A 29 8.989 -0.238 12.976 1.00 0.00 H new ATOM 0 HA MET A 29 10.808 1.237 11.394 1.00 0.00 H new ATOM 0 HB2 MET A 29 10.433 0.562 14.294 1.00 0.00 H new ATOM 0 HB3 MET A 29 11.997 1.186 13.808 1.00 0.00 H new ATOM 0 HG2 MET A 29 10.617 3.075 12.632 1.00 0.00 H new ATOM 0 HG3 MET A 29 9.301 2.535 13.655 1.00 0.00 H new ATOM 0 HE1 MET A 29 13.275 4.411 14.912 1.00 0.00 H new ATOM 0 HE2 MET A 29 13.252 2.641 15.100 1.00 0.00 H new ATOM 0 HE3 MET A 29 12.950 3.371 13.505 1.00 0.00 H new ATOM 426 N SER A 30 11.920 -1.619 12.634 1.00 0.00 N ATOM 427 CA SER A 30 12.973 -2.620 12.506 1.00 0.00 C ATOM 428 C SER A 30 13.261 -2.920 11.039 1.00 0.00 C ATOM 429 O SER A 30 14.410 -3.128 10.651 1.00 0.00 O ATOM 430 CB SER A 30 12.575 -3.906 13.233 1.00 0.00 C ATOM 431 OG SER A 30 11.332 -4.395 12.760 1.00 0.00 O ATOM 0 H SER A 30 11.177 -1.870 13.286 1.00 0.00 H new ATOM 0 HA SER A 30 13.879 -2.219 12.962 1.00 0.00 H new ATOM 0 HB2 SER A 30 13.346 -4.663 13.088 1.00 0.00 H new ATOM 0 HB3 SER A 30 12.511 -3.717 14.305 1.00 0.00 H new ATOM 0 HG SER A 30 10.757 -3.641 12.512 1.00 0.00 H new ATOM 437 N MET A 31 12.209 -2.941 10.228 1.00 0.00 N ATOM 438 CA MET A 31 12.348 -3.215 8.802 1.00 0.00 C ATOM 439 C MET A 31 13.383 -2.290 8.169 1.00 0.00 C ATOM 440 O MET A 31 14.181 -2.715 7.333 1.00 0.00 O ATOM 441 CB MET A 31 11.001 -3.052 8.095 1.00 0.00 C ATOM 442 CG MET A 31 9.966 -4.084 8.513 1.00 0.00 C ATOM 443 SD MET A 31 8.818 -4.493 7.185 1.00 0.00 S ATOM 444 CE MET A 31 7.959 -2.933 6.987 1.00 0.00 C ATOM 0 H MET A 31 11.251 -2.772 10.533 1.00 0.00 H new ATOM 0 HA MET A 31 12.688 -4.244 8.687 1.00 0.00 H new ATOM 0 HB2 MET A 31 10.611 -2.055 8.300 1.00 0.00 H new ATOM 0 HB3 MET A 31 11.155 -3.119 7.018 1.00 0.00 H new ATOM 0 HG2 MET A 31 10.474 -4.991 8.841 1.00 0.00 H new ATOM 0 HG3 MET A 31 9.406 -3.706 9.368 1.00 0.00 H new ATOM 0 HE1 MET A 31 6.921 -3.121 6.714 1.00 0.00 H new ATOM 0 HE2 MET A 31 7.993 -2.378 7.924 1.00 0.00 H new ATOM 0 HE3 MET A 31 8.440 -2.350 6.202 1.00 0.00 H new ATOM 454 N HIS A 32 13.364 -1.024 8.574 1.00 0.00 N ATOM 455 CA HIS A 32 14.302 -0.039 8.046 1.00 0.00 C ATOM 456 C HIS A 32 15.719 -0.323 8.533 1.00 0.00 C ATOM 457 O HIS A 32 16.685 -0.183 7.781 1.00 0.00 O ATOM 458 CB HIS A 32 13.880 1.371 8.461 1.00 0.00 C ATOM 459 CG HIS A 32 12.405 1.608 8.363 1.00 0.00 C ATOM 460 ND1 HIS A 32 11.655 1.243 7.265 1.00 0.00 N ATOM 461 CD2 HIS A 32 11.540 2.177 9.235 1.00 0.00 C ATOM 462 CE1 HIS A 32 10.393 1.578 7.465 1.00 0.00 C ATOM 463 NE2 HIS A 32 10.296 2.146 8.654 1.00 0.00 N ATOM 0 H HIS A 32 12.710 -0.656 9.265 1.00 0.00 H new ATOM 0 HA HIS A 32 14.290 -0.108 6.958 1.00 0.00 H new ATOM 0 HB2 HIS A 32 14.201 1.550 9.487 1.00 0.00 H new ATOM 0 HB3 HIS A 32 14.399 2.096 7.834 1.00 0.00 H new ATOM 0 HD2 HIS A 32 11.783 2.580 10.207 1.00 0.00 H new ATOM 0 HE1 HIS A 32 9.579 1.415 6.774 1.00 0.00 H new ATOM 0 HE2 HIS A 32 9.437 2.503 9.072 1.00 0.00 H new ATOM 582 N CYS A 40 26.821 2.355 9.441 1.00 0.00 N ATOM 583 CA CYS A 40 27.349 3.532 8.763 1.00 0.00 C ATOM 584 C CYS A 40 26.461 4.748 9.013 1.00 0.00 C ATOM 585 O CYS A 40 25.374 4.863 8.450 1.00 0.00 O ATOM 586 CB CYS A 40 27.463 3.272 7.260 1.00 0.00 C ATOM 587 SG CYS A 40 27.859 4.754 6.277 1.00 0.00 S ATOM 0 HA CYS A 40 28.340 3.738 9.166 1.00 0.00 H new ATOM 0 HB2 CYS A 40 28.233 2.520 7.090 1.00 0.00 H new ATOM 0 HB3 CYS A 40 26.523 2.852 6.902 1.00 0.00 H new ATOM 0 HG CYS A 40 28.158 5.737 7.074 1.00 0.00 H new ATOM 592 N GLY A 41 26.934 5.654 9.864 1.00 0.00 N ATOM 593 CA GLY A 41 26.172 6.849 10.175 1.00 0.00 C ATOM 594 C GLY A 41 26.322 7.924 9.116 1.00 0.00 C ATOM 595 O GLY A 41 26.317 9.116 9.426 1.00 0.00 O ATOM 0 H GLY A 41 27.831 5.581 10.343 1.00 0.00 H new ATOM 0 HA2 GLY A 41 25.119 6.588 10.277 1.00 0.00 H new ATOM 0 HA3 GLY A 41 26.497 7.244 11.138 1.00 0.00 H new ATOM 599 N VAL A 42 26.459 7.503 7.863 1.00 0.00 N ATOM 600 CA VAL A 42 26.612 8.439 6.755 1.00 0.00 C ATOM 601 C VAL A 42 25.567 8.186 5.674 1.00 0.00 C ATOM 602 O VAL A 42 24.960 9.121 5.151 1.00 0.00 O ATOM 603 CB VAL A 42 28.016 8.342 6.129 1.00 0.00 C ATOM 604 CG1 VAL A 42 28.185 9.383 5.033 1.00 0.00 C ATOM 605 CG2 VAL A 42 29.087 8.502 7.197 1.00 0.00 C ATOM 0 H VAL A 42 26.467 6.520 7.589 1.00 0.00 H new ATOM 0 HA VAL A 42 26.473 9.440 7.164 1.00 0.00 H new ATOM 0 HB VAL A 42 28.127 7.355 5.680 1.00 0.00 H new ATOM 0 HG11 VAL A 42 29.183 9.299 4.602 1.00 0.00 H new ATOM 0 HG12 VAL A 42 27.439 9.217 4.256 1.00 0.00 H new ATOM 0 HG13 VAL A 42 28.054 10.380 5.455 1.00 0.00 H new ATOM 0 HG21 VAL A 42 30.073 8.431 6.737 1.00 0.00 H new ATOM 0 HG22 VAL A 42 28.980 9.475 7.677 1.00 0.00 H new ATOM 0 HG23 VAL A 42 28.977 7.715 7.943 1.00 0.00 H new ATOM 615 N CYS A 43 25.362 6.916 5.343 1.00 0.00 N ATOM 616 CA CYS A 43 24.390 6.538 4.324 1.00 0.00 C ATOM 617 C CYS A 43 23.247 5.732 4.934 1.00 0.00 C ATOM 618 O CYS A 43 22.086 5.900 4.562 1.00 0.00 O ATOM 619 CB CYS A 43 25.068 5.726 3.218 1.00 0.00 C ATOM 620 SG CYS A 43 25.395 3.991 3.665 1.00 0.00 S ATOM 0 H CYS A 43 25.856 6.130 5.766 1.00 0.00 H new ATOM 0 HA CYS A 43 23.978 7.451 3.895 1.00 0.00 H new ATOM 0 HB2 CYS A 43 24.439 5.749 2.328 1.00 0.00 H new ATOM 0 HB3 CYS A 43 26.010 6.206 2.955 1.00 0.00 H new ATOM 0 HG CYS A 43 26.263 3.948 4.632 1.00 0.00 H new ATOM 625 N GLY A 44 23.585 4.855 5.875 1.00 0.00 N ATOM 626 CA GLY A 44 22.576 4.036 6.522 1.00 0.00 C ATOM 627 C GLY A 44 22.795 2.555 6.288 1.00 0.00 C ATOM 628 O GLY A 44 21.841 1.779 6.236 1.00 0.00 O ATOM 0 H GLY A 44 24.539 4.697 6.201 1.00 0.00 H new ATOM 0 HA2 GLY A 44 22.582 4.236 7.593 1.00 0.00 H new ATOM 0 HA3 GLY A 44 21.591 4.318 6.151 1.00 0.00 H new ATOM 632 N LYS A 45 24.056 2.160 6.145 1.00 0.00 N ATOM 633 CA LYS A 45 24.399 0.761 5.915 1.00 0.00 C ATOM 634 C LYS A 45 24.830 0.086 7.213 1.00 0.00 C ATOM 635 O LYS A 45 24.919 0.729 8.260 1.00 0.00 O ATOM 636 CB LYS A 45 25.517 0.654 4.876 1.00 0.00 C ATOM 637 CG LYS A 45 25.012 0.527 3.449 1.00 0.00 C ATOM 638 CD LYS A 45 26.000 -0.222 2.572 1.00 0.00 C ATOM 639 CE LYS A 45 25.496 -0.344 1.142 1.00 0.00 C ATOM 640 NZ LYS A 45 26.590 -0.695 0.195 1.00 0.00 N ATOM 0 H LYS A 45 24.858 2.789 6.184 1.00 0.00 H new ATOM 0 HA LYS A 45 23.512 0.252 5.539 1.00 0.00 H new ATOM 0 HB2 LYS A 45 26.155 1.535 4.950 1.00 0.00 H new ATOM 0 HB3 LYS A 45 26.138 -0.210 5.111 1.00 0.00 H new ATOM 0 HG2 LYS A 45 24.054 0.006 3.446 1.00 0.00 H new ATOM 0 HG3 LYS A 45 24.836 1.520 3.035 1.00 0.00 H new ATOM 0 HD2 LYS A 45 26.959 0.296 2.578 1.00 0.00 H new ATOM 0 HD3 LYS A 45 26.173 -1.216 2.984 1.00 0.00 H new ATOM 0 HE2 LYS A 45 24.717 -1.105 1.095 1.00 0.00 H new ATOM 0 HE3 LYS A 45 25.040 0.598 0.836 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 26.205 -0.769 -0.768 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 27.321 0.044 0.220 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 27.009 -1.606 0.471 1.00 0.00 H new ATOM 654 N LYS A 46 25.097 -1.213 7.138 1.00 0.00 N ATOM 655 CA LYS A 46 25.522 -1.976 8.306 1.00 0.00 C ATOM 656 C LYS A 46 26.353 -3.187 7.892 1.00 0.00 C ATOM 657 O LYS A 46 26.240 -3.675 6.768 1.00 0.00 O ATOM 658 CB LYS A 46 24.304 -2.432 9.113 1.00 0.00 C ATOM 659 CG LYS A 46 23.487 -1.284 9.680 1.00 0.00 C ATOM 660 CD LYS A 46 22.504 -1.767 10.734 1.00 0.00 C ATOM 661 CE LYS A 46 21.591 -0.643 11.201 1.00 0.00 C ATOM 662 NZ LYS A 46 21.070 -0.887 12.575 1.00 0.00 N ATOM 0 H LYS A 46 25.027 -1.760 6.280 1.00 0.00 H new ATOM 0 HA LYS A 46 26.140 -1.328 8.927 1.00 0.00 H new ATOM 0 HB2 LYS A 46 23.664 -3.043 8.476 1.00 0.00 H new ATOM 0 HB3 LYS A 46 24.639 -3.068 9.932 1.00 0.00 H new ATOM 0 HG2 LYS A 46 24.155 -0.542 10.117 1.00 0.00 H new ATOM 0 HG3 LYS A 46 22.944 -0.789 8.874 1.00 0.00 H new ATOM 0 HD2 LYS A 46 21.903 -2.580 10.327 1.00 0.00 H new ATOM 0 HD3 LYS A 46 23.051 -2.170 11.586 1.00 0.00 H new ATOM 0 HE2 LYS A 46 22.137 0.300 11.182 1.00 0.00 H new ATOM 0 HE3 LYS A 46 20.756 -0.542 10.508 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 20.452 -0.099 12.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 20.528 -1.774 12.588 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 21.866 -0.958 13.241 1.00 0.00 H new ATOM 676 N PHE A 47 27.186 -3.667 8.809 1.00 0.00 N ATOM 677 CA PHE A 47 28.036 -4.822 8.539 1.00 0.00 C ATOM 678 C PHE A 47 28.211 -5.673 9.794 1.00 0.00 C ATOM 679 O PHE A 47 28.206 -5.159 10.913 1.00 0.00 O ATOM 680 CB PHE A 47 29.402 -4.366 8.023 1.00 0.00 C ATOM 681 CG PHE A 47 29.320 -3.458 6.830 1.00 0.00 C ATOM 682 CD1 PHE A 47 28.726 -2.211 6.932 1.00 0.00 C ATOM 683 CD2 PHE A 47 29.838 -3.851 5.606 1.00 0.00 C ATOM 684 CE1 PHE A 47 28.648 -1.373 5.835 1.00 0.00 C ATOM 685 CE2 PHE A 47 29.763 -3.018 4.506 1.00 0.00 C ATOM 686 CZ PHE A 47 29.168 -1.777 4.621 1.00 0.00 C ATOM 0 H PHE A 47 27.291 -3.275 9.745 1.00 0.00 H new ATOM 0 HA PHE A 47 27.551 -5.429 7.775 1.00 0.00 H new ATOM 0 HB2 PHE A 47 29.931 -3.852 8.825 1.00 0.00 H new ATOM 0 HB3 PHE A 47 29.994 -5.243 7.762 1.00 0.00 H new ATOM 0 HD1 PHE A 47 28.319 -1.889 7.879 1.00 0.00 H new ATOM 0 HD2 PHE A 47 30.306 -4.820 5.511 1.00 0.00 H new ATOM 0 HE1 PHE A 47 28.181 -0.404 5.927 1.00 0.00 H new ATOM 0 HE2 PHE A 47 30.169 -3.337 3.558 1.00 0.00 H new ATOM 0 HZ PHE A 47 29.109 -1.124 3.763 1.00 0.00 H new ATOM 696 N LYS A 48 28.366 -6.978 9.599 1.00 0.00 N ATOM 697 CA LYS A 48 28.544 -7.902 10.712 1.00 0.00 C ATOM 698 C LYS A 48 29.910 -7.714 11.363 1.00 0.00 C ATOM 699 O LYS A 48 30.024 -7.672 12.588 1.00 0.00 O ATOM 700 CB LYS A 48 28.391 -9.347 10.232 1.00 0.00 C ATOM 701 CG LYS A 48 29.262 -9.685 9.034 1.00 0.00 C ATOM 702 CD LYS A 48 28.559 -10.641 8.085 1.00 0.00 C ATOM 703 CE LYS A 48 27.764 -9.892 7.027 1.00 0.00 C ATOM 704 NZ LYS A 48 26.916 -10.810 6.218 1.00 0.00 N ATOM 0 H LYS A 48 28.372 -7.420 8.680 1.00 0.00 H new ATOM 0 HA LYS A 48 27.775 -7.689 11.454 1.00 0.00 H new ATOM 0 HB2 LYS A 48 28.638 -10.022 11.052 1.00 0.00 H new ATOM 0 HB3 LYS A 48 27.347 -9.527 9.974 1.00 0.00 H new ATOM 0 HG2 LYS A 48 29.523 -8.770 8.503 1.00 0.00 H new ATOM 0 HG3 LYS A 48 30.196 -10.132 9.376 1.00 0.00 H new ATOM 0 HD2 LYS A 48 29.296 -11.283 7.602 1.00 0.00 H new ATOM 0 HD3 LYS A 48 27.892 -11.291 8.650 1.00 0.00 H new ATOM 0 HE2 LYS A 48 27.133 -9.144 7.508 1.00 0.00 H new ATOM 0 HE3 LYS A 48 28.449 -9.356 6.370 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 26.390 -10.261 5.508 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 27.520 -11.508 5.739 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 26.245 -11.303 6.841 1.00 0.00 H new ATOM 718 N MET A 49 30.944 -7.599 10.536 1.00 0.00 N ATOM 719 CA MET A 49 32.302 -7.412 11.032 1.00 0.00 C ATOM 720 C MET A 49 32.718 -5.947 10.940 1.00 0.00 C ATOM 721 O MET A 49 32.050 -5.141 10.292 1.00 0.00 O ATOM 722 CB MET A 49 33.281 -8.283 10.243 1.00 0.00 C ATOM 723 CG MET A 49 32.998 -9.772 10.357 1.00 0.00 C ATOM 724 SD MET A 49 33.360 -10.424 11.999 1.00 0.00 S ATOM 725 CE MET A 49 31.971 -11.529 12.238 1.00 0.00 C ATOM 0 H MET A 49 30.867 -7.632 9.519 1.00 0.00 H new ATOM 0 HA MET A 49 32.324 -7.712 12.080 1.00 0.00 H new ATOM 0 HB2 MET A 49 33.246 -7.994 9.193 1.00 0.00 H new ATOM 0 HB3 MET A 49 34.294 -8.086 10.594 1.00 0.00 H new ATOM 0 HG2 MET A 49 31.951 -9.958 10.119 1.00 0.00 H new ATOM 0 HG3 MET A 49 33.593 -10.309 9.618 1.00 0.00 H new ATOM 0 HE1 MET A 49 32.052 -12.010 13.213 1.00 0.00 H new ATOM 0 HE2 MET A 49 31.042 -10.961 12.190 1.00 0.00 H new ATOM 0 HE3 MET A 49 31.973 -12.289 11.457 1.00 0.00 H new ATOM 735 N LYS A 50 33.825 -5.608 11.591 1.00 0.00 N ATOM 736 CA LYS A 50 34.331 -4.241 11.582 1.00 0.00 C ATOM 737 C LYS A 50 34.959 -3.902 10.233 1.00 0.00 C ATOM 738 O LYS A 50 34.648 -2.872 9.634 1.00 0.00 O ATOM 739 CB LYS A 50 35.361 -4.049 12.698 1.00 0.00 C ATOM 740 CG LYS A 50 36.510 -5.041 12.643 1.00 0.00 C ATOM 741 CD LYS A 50 37.685 -4.490 11.853 1.00 0.00 C ATOM 742 CE LYS A 50 38.673 -3.767 12.755 1.00 0.00 C ATOM 743 NZ LYS A 50 39.771 -3.130 11.977 1.00 0.00 N ATOM 0 H LYS A 50 34.390 -6.262 12.132 1.00 0.00 H new ATOM 0 HA LYS A 50 33.490 -3.568 11.752 1.00 0.00 H new ATOM 0 HB2 LYS A 50 35.763 -3.037 12.640 1.00 0.00 H new ATOM 0 HB3 LYS A 50 34.861 -4.139 13.662 1.00 0.00 H new ATOM 0 HG2 LYS A 50 36.832 -5.282 13.656 1.00 0.00 H new ATOM 0 HG3 LYS A 50 36.168 -5.970 12.188 1.00 0.00 H new ATOM 0 HD2 LYS A 50 38.192 -5.305 11.336 1.00 0.00 H new ATOM 0 HD3 LYS A 50 37.321 -3.805 11.087 1.00 0.00 H new ATOM 0 HE2 LYS A 50 38.148 -3.006 13.332 1.00 0.00 H new ATOM 0 HE3 LYS A 50 39.096 -4.473 13.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 40.423 -2.648 12.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 40.288 -3.859 11.446 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 39.370 -2.438 11.313 1.00 0.00 H new ATOM 757 N HIS A 51 35.842 -4.776 9.761 1.00 0.00 N ATOM 758 CA HIS A 51 36.511 -4.570 8.481 1.00 0.00 C ATOM 759 C HIS A 51 35.502 -4.549 7.337 1.00 0.00 C ATOM 760 O HIS A 51 35.667 -3.814 6.363 1.00 0.00 O ATOM 761 CB HIS A 51 37.549 -5.667 8.242 1.00 0.00 C ATOM 762 CG HIS A 51 37.228 -6.956 8.933 1.00 0.00 C ATOM 763 ND1 HIS A 51 36.204 -7.789 8.534 1.00 0.00 N ATOM 764 CD2 HIS A 51 37.803 -7.555 10.002 1.00 0.00 C ATOM 765 CE1 HIS A 51 36.163 -8.844 9.329 1.00 0.00 C ATOM 766 NE2 HIS A 51 37.123 -8.726 10.228 1.00 0.00 N ATOM 0 H HIS A 51 36.111 -5.633 10.245 1.00 0.00 H new ATOM 0 HA HIS A 51 37.015 -3.604 8.514 1.00 0.00 H new ATOM 0 HB2 HIS A 51 37.632 -5.850 7.171 1.00 0.00 H new ATOM 0 HB3 HIS A 51 38.523 -5.315 8.582 1.00 0.00 H new ATOM 0 HD2 HIS A 51 38.641 -7.181 10.571 1.00 0.00 H new ATOM 0 HE1 HIS A 51 35.463 -9.663 9.256 1.00 0.00 H new ATOM 0 HE2 HIS A 51 37.326 -9.396 10.970 1.00 0.00 H new ATOM 774 N HIS A 52 34.457 -5.362 7.461 1.00 0.00 N ATOM 775 CA HIS A 52 33.421 -5.437 6.437 1.00 0.00 C ATOM 776 C HIS A 52 32.790 -4.068 6.201 1.00 0.00 C ATOM 777 O HIS A 52 32.340 -3.762 5.096 1.00 0.00 O ATOM 778 CB HIS A 52 32.345 -6.444 6.843 1.00 0.00 C ATOM 779 CG HIS A 52 32.811 -7.867 6.801 1.00 0.00 C ATOM 780 ND1 HIS A 52 32.128 -8.901 7.407 1.00 0.00 N ATOM 781 CD2 HIS A 52 33.898 -8.426 6.220 1.00 0.00 C ATOM 782 CE1 HIS A 52 32.775 -10.034 7.202 1.00 0.00 C ATOM 783 NE2 HIS A 52 33.853 -9.773 6.483 1.00 0.00 N ATOM 0 H HIS A 52 34.306 -5.978 8.260 1.00 0.00 H new ATOM 0 HA HIS A 52 33.886 -5.768 5.508 1.00 0.00 H new ATOM 0 HB2 HIS A 52 32.003 -6.212 7.852 1.00 0.00 H new ATOM 0 HB3 HIS A 52 31.486 -6.332 6.182 1.00 0.00 H new ATOM 0 HD2 HIS A 52 34.659 -7.909 5.655 1.00 0.00 H new ATOM 0 HE1 HIS A 52 32.475 -11.007 7.561 1.00 0.00 H new ATOM 0 HE2 HIS A 52 34.540 -10.461 6.174 1.00 0.00 H new ATOM 791 N LEU A 53 32.760 -3.248 7.246 1.00 0.00 N ATOM 792 CA LEU A 53 32.183 -1.911 7.154 1.00 0.00 C ATOM 793 C LEU A 53 33.200 -0.916 6.604 1.00 0.00 C ATOM 794 O LEU A 53 32.853 -0.016 5.840 1.00 0.00 O ATOM 795 CB LEU A 53 31.692 -1.450 8.527 1.00 0.00 C ATOM 796 CG LEU A 53 31.414 0.046 8.672 1.00 0.00 C ATOM 797 CD1 LEU A 53 30.118 0.420 7.969 1.00 0.00 C ATOM 798 CD2 LEU A 53 31.358 0.438 10.142 1.00 0.00 C ATOM 0 H LEU A 53 33.129 -3.485 8.167 1.00 0.00 H new ATOM 0 HA LEU A 53 31.337 -1.954 6.468 1.00 0.00 H new ATOM 0 HB2 LEU A 53 30.778 -1.994 8.765 1.00 0.00 H new ATOM 0 HB3 LEU A 53 32.436 -1.735 9.271 1.00 0.00 H new ATOM 0 HG LEU A 53 32.230 0.594 8.201 1.00 0.00 H new ATOM 0 HD11 LEU A 53 29.937 1.489 8.083 1.00 0.00 H new ATOM 0 HD12 LEU A 53 30.195 0.176 6.909 1.00 0.00 H new ATOM 0 HD13 LEU A 53 29.291 -0.137 8.410 1.00 0.00 H new ATOM 0 HD21 LEU A 53 31.159 1.506 10.226 1.00 0.00 H new ATOM 0 HD22 LEU A 53 30.563 -0.119 10.637 1.00 0.00 H new ATOM 0 HD23 LEU A 53 32.312 0.208 10.617 1.00 0.00 H new ATOM 810 N VAL A 54 34.459 -1.086 6.997 1.00 0.00 N ATOM 811 CA VAL A 54 35.527 -0.206 6.541 1.00 0.00 C ATOM 812 C VAL A 54 35.547 -0.107 5.020 1.00 0.00 C ATOM 813 O VAL A 54 35.381 0.973 4.455 1.00 0.00 O ATOM 814 CB VAL A 54 36.904 -0.693 7.031 1.00 0.00 C ATOM 815 CG1 VAL A 54 38.015 -0.097 6.181 1.00 0.00 C ATOM 816 CG2 VAL A 54 37.100 -0.346 8.499 1.00 0.00 C ATOM 0 H VAL A 54 34.763 -1.825 7.630 1.00 0.00 H new ATOM 0 HA VAL A 54 35.327 0.779 6.963 1.00 0.00 H new ATOM 0 HB VAL A 54 36.944 -1.777 6.929 1.00 0.00 H new ATOM 0 HG11 VAL A 54 38.980 -0.452 6.542 1.00 0.00 H new ATOM 0 HG12 VAL A 54 37.882 -0.401 5.143 1.00 0.00 H new ATOM 0 HG13 VAL A 54 37.981 0.990 6.248 1.00 0.00 H new ATOM 0 HG21 VAL A 54 38.078 -0.697 8.829 1.00 0.00 H new ATOM 0 HG22 VAL A 54 37.040 0.735 8.629 1.00 0.00 H new ATOM 0 HG23 VAL A 54 36.323 -0.826 9.093 1.00 0.00 H new ATOM 826 N GLY A 55 35.751 -1.244 4.361 1.00 0.00 N ATOM 827 CA GLY A 55 35.789 -1.264 2.911 1.00 0.00 C ATOM 828 C GLY A 55 34.700 -0.411 2.291 1.00 0.00 C ATOM 829 O GLY A 55 34.846 0.076 1.169 1.00 0.00 O ATOM 0 H GLY A 55 35.891 -2.151 4.806 1.00 0.00 H new ATOM 0 HA2 GLY A 55 36.762 -0.909 2.571 1.00 0.00 H new ATOM 0 HA3 GLY A 55 35.685 -2.291 2.562 1.00 0.00 H new ATOM 833 N HIS A 56 33.604 -0.230 3.021 1.00 0.00 N ATOM 834 CA HIS A 56 32.485 0.570 2.535 1.00 0.00 C ATOM 835 C HIS A 56 32.618 2.021 2.987 1.00 0.00 C ATOM 836 O HIS A 56 32.343 2.946 2.223 1.00 0.00 O ATOM 837 CB HIS A 56 31.161 -0.012 3.032 1.00 0.00 C ATOM 838 CG HIS A 56 30.057 0.996 3.116 1.00 0.00 C ATOM 839 ND1 HIS A 56 29.252 1.321 2.045 1.00 0.00 N ATOM 840 CD2 HIS A 56 29.626 1.753 4.152 1.00 0.00 C ATOM 841 CE1 HIS A 56 28.374 2.234 2.418 1.00 0.00 C ATOM 842 NE2 HIS A 56 28.579 2.514 3.692 1.00 0.00 N ATOM 0 H HIS A 56 33.467 -0.626 3.951 1.00 0.00 H new ATOM 0 HA HIS A 56 32.498 0.545 1.445 1.00 0.00 H new ATOM 0 HB2 HIS A 56 30.855 -0.819 2.366 1.00 0.00 H new ATOM 0 HB3 HIS A 56 31.315 -0.453 4.017 1.00 0.00 H new ATOM 0 HD2 HIS A 56 30.030 1.758 5.154 1.00 0.00 H new ATOM 0 HE1 HIS A 56 27.617 2.677 1.788 1.00 0.00 H new ATOM 0 HE2 HIS A 56 28.047 3.186 4.245 1.00 0.00 H new ATOM 850 N MET A 57 33.040 2.212 4.232 1.00 0.00 N ATOM 851 CA MET A 57 33.210 3.551 4.785 1.00 0.00 C ATOM 852 C MET A 57 34.162 4.377 3.926 1.00 0.00 C ATOM 853 O MET A 57 34.101 5.606 3.920 1.00 0.00 O ATOM 854 CB MET A 57 33.736 3.471 6.219 1.00 0.00 C ATOM 855 CG MET A 57 32.795 2.754 7.173 1.00 0.00 C ATOM 856 SD MET A 57 31.703 3.887 8.054 1.00 0.00 S ATOM 857 CE MET A 57 31.011 4.818 6.689 1.00 0.00 C ATOM 0 H MET A 57 33.271 1.457 4.878 1.00 0.00 H new ATOM 0 HA MET A 57 32.236 4.041 4.790 1.00 0.00 H new ATOM 0 HB2 MET A 57 34.698 2.958 6.216 1.00 0.00 H new ATOM 0 HB3 MET A 57 33.915 4.481 6.589 1.00 0.00 H new ATOM 0 HG2 MET A 57 32.194 2.037 6.614 1.00 0.00 H new ATOM 0 HG3 MET A 57 33.380 2.185 7.895 1.00 0.00 H new ATOM 0 HE1 MET A 57 30.236 5.488 7.061 1.00 0.00 H new ATOM 0 HE2 MET A 57 31.797 5.403 6.212 1.00 0.00 H new ATOM 0 HE3 MET A 57 30.578 4.131 5.962 1.00 0.00 H new ATOM 867 N LYS A 58 35.042 3.694 3.202 1.00 0.00 N ATOM 868 CA LYS A 58 36.007 4.363 2.338 1.00 0.00 C ATOM 869 C LYS A 58 35.300 5.226 1.297 1.00 0.00 C ATOM 870 O LYS A 58 35.915 6.089 0.672 1.00 0.00 O ATOM 871 CB LYS A 58 36.900 3.334 1.641 1.00 0.00 C ATOM 872 CG LYS A 58 37.473 2.290 2.583 1.00 0.00 C ATOM 873 CD LYS A 58 38.668 1.580 1.968 1.00 0.00 C ATOM 874 CE LYS A 58 38.253 0.702 0.797 1.00 0.00 C ATOM 875 NZ LYS A 58 39.331 0.594 -0.224 1.00 0.00 N ATOM 0 H LYS A 58 35.107 2.676 3.197 1.00 0.00 H new ATOM 0 HA LYS A 58 36.626 5.009 2.961 1.00 0.00 H new ATOM 0 HB2 LYS A 58 36.324 2.833 0.863 1.00 0.00 H new ATOM 0 HB3 LYS A 58 37.720 3.853 1.145 1.00 0.00 H new ATOM 0 HG2 LYS A 58 37.772 2.766 3.517 1.00 0.00 H new ATOM 0 HG3 LYS A 58 36.702 1.560 2.830 1.00 0.00 H new ATOM 0 HD2 LYS A 58 39.397 2.317 1.631 1.00 0.00 H new ATOM 0 HD3 LYS A 58 39.159 0.970 2.726 1.00 0.00 H new ATOM 0 HE2 LYS A 58 37.997 -0.293 1.162 1.00 0.00 H new ATOM 0 HE3 LYS A 58 37.355 1.113 0.335 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 39.010 -0.012 -1.005 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 39.558 1.540 -0.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 40.180 0.178 0.210 1.00 0.00 H new ATOM 889 N ILE A 59 34.005 4.986 1.119 1.00 0.00 N ATOM 890 CA ILE A 59 33.215 5.743 0.156 1.00 0.00 C ATOM 891 C ILE A 59 32.718 7.052 0.761 1.00 0.00 C ATOM 892 O ILE A 59 32.279 7.952 0.044 1.00 0.00 O ATOM 893 CB ILE A 59 32.006 4.930 -0.343 1.00 0.00 C ATOM 894 CG1 ILE A 59 30.844 5.044 0.645 1.00 0.00 C ATOM 895 CG2 ILE A 59 32.395 3.473 -0.546 1.00 0.00 C ATOM 896 CD1 ILE A 59 29.593 4.322 0.194 1.00 0.00 C ATOM 0 H ILE A 59 33.481 4.274 1.628 1.00 0.00 H new ATOM 0 HA ILE A 59 33.870 5.961 -0.688 1.00 0.00 H new ATOM 0 HB ILE A 59 31.684 5.337 -1.302 1.00 0.00 H new ATOM 0 HG12 ILE A 59 31.157 4.643 1.609 1.00 0.00 H new ATOM 0 HG13 ILE A 59 30.610 6.098 0.798 1.00 0.00 H new ATOM 0 HG21 ILE A 59 31.530 2.911 -0.899 1.00 0.00 H new ATOM 0 HG22 ILE A 59 33.195 3.409 -1.284 1.00 0.00 H new ATOM 0 HG23 ILE A 59 32.739 3.053 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 28.811 4.446 0.943 1.00 0.00 H new ATOM 0 HD12 ILE A 59 29.255 4.738 -0.755 1.00 0.00 H new ATOM 0 HD13 ILE A 59 29.810 3.261 0.068 1.00 0.00 H new ATOM 908 N HIS A 60 32.792 7.152 2.084 1.00 0.00 N ATOM 909 CA HIS A 60 32.352 8.353 2.786 1.00 0.00 C ATOM 910 C HIS A 60 33.541 9.102 3.379 1.00 0.00 C ATOM 911 O HIS A 60 33.387 9.900 4.305 1.00 0.00 O ATOM 912 CB HIS A 60 31.361 7.988 3.892 1.00 0.00 C ATOM 913 CG HIS A 60 30.131 7.296 3.390 1.00 0.00 C ATOM 914 ND1 HIS A 60 29.284 7.851 2.454 1.00 0.00 N ATOM 915 CD2 HIS A 60 29.608 6.086 3.697 1.00 0.00 C ATOM 916 CE1 HIS A 60 28.292 7.014 2.210 1.00 0.00 C ATOM 917 NE2 HIS A 60 28.466 5.934 2.951 1.00 0.00 N ATOM 0 H HIS A 60 33.152 6.416 2.692 1.00 0.00 H new ATOM 0 HA HIS A 60 31.858 9.005 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 60 31.859 7.345 4.617 1.00 0.00 H new ATOM 0 HB3 HIS A 60 31.068 8.896 4.420 1.00 0.00 H new ATOM 0 HD1 HIS A 60 29.405 8.765 2.018 1.00 0.00 H new ATOM 0 HD2 HIS A 60 30.014 5.372 4.399 1.00 0.00 H new ATOM 0 HE1 HIS A 60 27.477 7.183 1.522 1.00 0.00 H new ATOM 1001 N TYR A 66 47.874 15.198 0.127 1.00 0.00 N ATOM 1002 CA TYR A 66 48.910 16.009 0.756 1.00 0.00 C ATOM 1003 C TYR A 66 48.908 15.815 2.269 1.00 0.00 C ATOM 1004 O TYR A 66 47.855 15.820 2.905 1.00 0.00 O ATOM 1005 CB TYR A 66 48.705 17.487 0.419 1.00 0.00 C ATOM 1006 CG TYR A 66 48.457 17.744 -1.050 1.00 0.00 C ATOM 1007 CD1 TYR A 66 49.457 17.536 -1.991 1.00 0.00 C ATOM 1008 CD2 TYR A 66 47.221 18.195 -1.497 1.00 0.00 C ATOM 1009 CE1 TYR A 66 49.235 17.771 -3.334 1.00 0.00 C ATOM 1010 CE2 TYR A 66 46.989 18.431 -2.838 1.00 0.00 C ATOM 1011 CZ TYR A 66 47.999 18.218 -3.753 1.00 0.00 C ATOM 1012 OH TYR A 66 47.773 18.451 -5.090 1.00 0.00 O ATOM 0 HA TYR A 66 49.876 15.686 0.367 1.00 0.00 H new ATOM 0 HB2 TYR A 66 47.861 17.868 0.994 1.00 0.00 H new ATOM 0 HB3 TYR A 66 49.585 18.048 0.734 1.00 0.00 H new ATOM 0 HD1 TYR A 66 50.425 17.184 -1.667 1.00 0.00 H new ATOM 0 HD2 TYR A 66 46.428 18.364 -0.784 1.00 0.00 H new ATOM 0 HE1 TYR A 66 50.025 17.606 -4.052 1.00 0.00 H new ATOM 0 HE2 TYR A 66 46.022 18.780 -3.168 1.00 0.00 H new ATOM 0 HH TYR A 66 46.852 18.761 -5.217 1.00 0.00 H new ATOM 1022 N GLU A 67 50.098 15.647 2.839 1.00 0.00 N ATOM 1023 CA GLU A 67 50.234 15.452 4.278 1.00 0.00 C ATOM 1024 C GLU A 67 51.501 16.123 4.800 1.00 0.00 C ATOM 1025 O GLU A 67 52.571 16.007 4.201 1.00 0.00 O ATOM 1026 CB GLU A 67 50.260 13.959 4.612 1.00 0.00 C ATOM 1027 CG GLU A 67 50.709 13.661 6.033 1.00 0.00 C ATOM 1028 CD GLU A 67 50.185 12.334 6.545 1.00 0.00 C ATOM 1029 OE1 GLU A 67 50.847 11.302 6.303 1.00 0.00 O ATOM 1030 OE2 GLU A 67 49.113 12.326 7.186 1.00 0.00 O ATOM 0 H GLU A 67 50.980 15.642 2.327 1.00 0.00 H new ATOM 0 HA GLU A 67 49.373 15.911 4.764 1.00 0.00 H new ATOM 0 HB2 GLU A 67 49.264 13.544 4.460 1.00 0.00 H new ATOM 0 HB3 GLU A 67 50.927 13.451 3.915 1.00 0.00 H new ATOM 0 HG2 GLU A 67 51.798 13.657 6.072 1.00 0.00 H new ATOM 0 HG3 GLU A 67 50.370 14.460 6.692 1.00 0.00 H new ATOM 1037 N CYS A 68 51.372 16.827 5.920 1.00 0.00 N ATOM 1038 CA CYS A 68 52.505 17.518 6.523 1.00 0.00 C ATOM 1039 C CYS A 68 53.629 16.539 6.851 1.00 0.00 C ATOM 1040 O CYS A 68 53.467 15.327 6.719 1.00 0.00 O ATOM 1041 CB CYS A 68 52.065 18.249 7.793 1.00 0.00 C ATOM 1042 SG CYS A 68 53.111 19.675 8.231 1.00 0.00 S ATOM 0 H CYS A 68 50.494 16.934 6.428 1.00 0.00 H new ATOM 0 HA CYS A 68 52.880 18.245 5.803 1.00 0.00 H new ATOM 0 HB2 CYS A 68 51.038 18.591 7.665 1.00 0.00 H new ATOM 0 HB3 CYS A 68 52.065 17.543 8.624 1.00 0.00 H new ATOM 0 HG CYS A 68 52.362 20.646 8.663 1.00 0.00 H new ATOM 1047 N ASN A 69 54.767 17.075 7.278 1.00 0.00 N ATOM 1048 CA ASN A 69 55.918 16.249 7.624 1.00 0.00 C ATOM 1049 C ASN A 69 56.184 16.287 9.126 1.00 0.00 C ATOM 1050 O ASN A 69 56.674 15.317 9.705 1.00 0.00 O ATOM 1051 CB ASN A 69 57.159 16.722 6.863 1.00 0.00 C ATOM 1052 CG ASN A 69 57.228 18.233 6.752 1.00 0.00 C ATOM 1053 OD1 ASN A 69 56.217 18.896 6.520 1.00 0.00 O ATOM 1054 ND2 ASN A 69 58.424 18.784 6.918 1.00 0.00 N ATOM 0 H ASN A 69 54.917 18.077 7.393 1.00 0.00 H new ATOM 0 HA ASN A 69 55.694 15.221 7.339 1.00 0.00 H new ATOM 0 HB2 ASN A 69 58.053 16.356 7.368 1.00 0.00 H new ATOM 0 HB3 ASN A 69 57.157 16.287 5.864 1.00 0.00 H new ATOM 0 HD21 ASN A 69 58.532 19.796 6.855 1.00 0.00 H new ATOM 0 HD22 ASN A 69 59.235 18.195 7.109 1.00 0.00 H new ATOM 1061 N ILE A 70 55.856 17.413 9.751 1.00 0.00 N ATOM 1062 CA ILE A 70 56.057 17.577 11.185 1.00 0.00 C ATOM 1063 C ILE A 70 54.905 16.965 11.975 1.00 0.00 C ATOM 1064 O ILE A 70 55.088 15.991 12.706 1.00 0.00 O ATOM 1065 CB ILE A 70 56.195 19.063 11.568 1.00 0.00 C ATOM 1066 CG1 ILE A 70 57.377 19.694 10.831 1.00 0.00 C ATOM 1067 CG2 ILE A 70 56.363 19.208 13.073 1.00 0.00 C ATOM 1068 CD1 ILE A 70 57.016 20.246 9.469 1.00 0.00 C ATOM 0 H ILE A 70 55.450 18.225 9.286 1.00 0.00 H new ATOM 0 HA ILE A 70 56.982 17.058 11.435 1.00 0.00 H new ATOM 0 HB ILE A 70 55.286 19.586 11.272 1.00 0.00 H new ATOM 0 HG12 ILE A 70 57.789 20.497 11.442 1.00 0.00 H new ATOM 0 HG13 ILE A 70 58.163 18.947 10.715 1.00 0.00 H new ATOM 0 HG21 ILE A 70 56.459 20.263 13.328 1.00 0.00 H new ATOM 0 HG22 ILE A 70 55.492 18.790 13.578 1.00 0.00 H new ATOM 0 HG23 ILE A 70 57.258 18.674 13.392 1.00 0.00 H new ATOM 0 HD11 ILE A 70 57.903 20.678 9.005 1.00 0.00 H new ATOM 0 HD12 ILE A 70 56.632 19.442 8.841 1.00 0.00 H new ATOM 0 HD13 ILE A 70 56.253 21.016 9.579 1.00 0.00 H new ATOM 1080 N CYS A 71 53.718 17.541 11.822 1.00 0.00 N ATOM 1081 CA CYS A 71 52.535 17.052 12.520 1.00 0.00 C ATOM 1082 C CYS A 71 51.895 15.894 11.759 1.00 0.00 C ATOM 1083 O CYS A 71 51.010 15.213 12.276 1.00 0.00 O ATOM 1084 CB CYS A 71 51.519 18.182 12.699 1.00 0.00 C ATOM 1085 SG CYS A 71 50.995 18.965 11.139 1.00 0.00 S ATOM 0 H CYS A 71 53.549 18.347 11.221 1.00 0.00 H new ATOM 0 HA CYS A 71 52.845 16.693 13.501 1.00 0.00 H new ATOM 0 HB2 CYS A 71 50.640 17.788 13.209 1.00 0.00 H new ATOM 0 HB3 CYS A 71 51.950 18.944 13.349 1.00 0.00 H new ATOM 0 HG CYS A 71 52.013 19.057 10.336 1.00 0.00 H new ATOM 1090 N ALA A 72 52.350 15.678 10.529 1.00 0.00 N ATOM 1091 CA ALA A 72 51.824 14.602 9.699 1.00 0.00 C ATOM 1092 C ALA A 72 50.330 14.779 9.451 1.00 0.00 C ATOM 1093 O ALA A 72 49.601 13.805 9.259 1.00 0.00 O ATOM 1094 CB ALA A 72 52.097 13.253 10.348 1.00 0.00 C ATOM 0 H ALA A 72 53.081 16.234 10.086 1.00 0.00 H new ATOM 0 HA ALA A 72 52.332 14.639 8.735 1.00 0.00 H new ATOM 0 HB1 ALA A 72 51.699 12.458 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 72 53.172 13.117 10.467 1.00 0.00 H new ATOM 0 HB3 ALA A 72 51.616 13.216 11.326 1.00 0.00 H new ATOM 1100 N LYS A 73 49.878 16.029 9.458 1.00 0.00 N ATOM 1101 CA LYS A 73 48.470 16.335 9.234 1.00 0.00 C ATOM 1102 C LYS A 73 48.091 16.114 7.773 1.00 0.00 C ATOM 1103 O LYS A 73 48.946 16.147 6.888 1.00 0.00 O ATOM 1104 CB LYS A 73 48.171 17.781 9.636 1.00 0.00 C ATOM 1105 CG LYS A 73 47.747 17.934 11.086 1.00 0.00 C ATOM 1106 CD LYS A 73 46.932 19.199 11.298 1.00 0.00 C ATOM 1107 CE LYS A 73 47.823 20.390 11.614 1.00 0.00 C ATOM 1108 NZ LYS A 73 47.102 21.429 12.400 1.00 0.00 N ATOM 0 H LYS A 73 50.467 16.847 9.616 1.00 0.00 H new ATOM 0 HA LYS A 73 47.875 15.662 9.851 1.00 0.00 H new ATOM 0 HB2 LYS A 73 49.058 18.389 9.460 1.00 0.00 H new ATOM 0 HB3 LYS A 73 47.383 18.173 8.993 1.00 0.00 H new ATOM 0 HG2 LYS A 73 47.160 17.067 11.388 1.00 0.00 H new ATOM 0 HG3 LYS A 73 48.631 17.958 11.724 1.00 0.00 H new ATOM 0 HD2 LYS A 73 46.346 19.409 10.404 1.00 0.00 H new ATOM 0 HD3 LYS A 73 46.225 19.045 12.114 1.00 0.00 H new ATOM 0 HE2 LYS A 73 48.696 20.052 12.173 1.00 0.00 H new ATOM 0 HE3 LYS A 73 48.189 20.827 10.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 47.743 22.224 12.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 46.284 21.770 11.856 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 46.775 21.020 13.298 1.00 0.00 H new ATOM 1122 N ARG A 74 46.804 15.888 7.528 1.00 0.00 N ATOM 1123 CA ARG A 74 46.313 15.662 6.174 1.00 0.00 C ATOM 1124 C ARG A 74 45.413 16.809 5.724 1.00 0.00 C ATOM 1125 O ARG A 74 44.607 17.321 6.500 1.00 0.00 O ATOM 1126 CB ARG A 74 45.547 14.340 6.102 1.00 0.00 C ATOM 1127 CG ARG A 74 46.403 13.122 6.409 1.00 0.00 C ATOM 1128 CD ARG A 74 45.559 11.863 6.527 1.00 0.00 C ATOM 1129 NE ARG A 74 46.381 10.659 6.612 1.00 0.00 N ATOM 1130 CZ ARG A 74 47.043 10.147 5.580 1.00 0.00 C ATOM 1131 NH1 ARG A 74 46.981 10.731 4.392 1.00 0.00 N ATOM 1132 NH2 ARG A 74 47.771 9.048 5.737 1.00 0.00 N ATOM 0 H ARG A 74 46.083 15.857 8.249 1.00 0.00 H new ATOM 0 HA ARG A 74 47.172 15.614 5.505 1.00 0.00 H new ATOM 0 HB2 ARG A 74 44.714 14.374 6.804 1.00 0.00 H new ATOM 0 HB3 ARG A 74 45.120 14.231 5.105 1.00 0.00 H new ATOM 0 HG2 ARG A 74 47.146 12.991 5.622 1.00 0.00 H new ATOM 0 HG3 ARG A 74 46.948 13.284 7.339 1.00 0.00 H new ATOM 0 HD2 ARG A 74 44.926 11.933 7.411 1.00 0.00 H new ATOM 0 HD3 ARG A 74 44.896 11.789 5.665 1.00 0.00 H new ATOM 0 HE ARG A 74 46.451 10.185 7.513 1.00 0.00 H new ATOM 0 HH11 ARG A 74 46.424 11.576 4.268 1.00 0.00 H new ATOM 0 HH12 ARG A 74 47.490 10.335 3.602 1.00 0.00 H new ATOM 0 HH21 ARG A 74 47.822 8.596 6.650 1.00 0.00 H new ATOM 0 HH22 ARG A 74 48.279 8.655 4.944 1.00 0.00 H new ATOM 1146 N PHE A 75 45.557 17.207 4.464 1.00 0.00 N ATOM 1147 CA PHE A 75 44.758 18.294 3.910 1.00 0.00 C ATOM 1148 C PHE A 75 44.207 17.920 2.538 1.00 0.00 C ATOM 1149 O PHE A 75 44.964 17.655 1.604 1.00 0.00 O ATOM 1150 CB PHE A 75 45.598 19.569 3.804 1.00 0.00 C ATOM 1151 CG PHE A 75 46.147 20.037 5.122 1.00 0.00 C ATOM 1152 CD1 PHE A 75 47.202 19.370 5.723 1.00 0.00 C ATOM 1153 CD2 PHE A 75 45.608 21.142 5.759 1.00 0.00 C ATOM 1154 CE1 PHE A 75 47.710 19.798 6.935 1.00 0.00 C ATOM 1155 CE2 PHE A 75 46.112 21.575 6.971 1.00 0.00 C ATOM 1156 CZ PHE A 75 47.164 20.901 7.560 1.00 0.00 C ATOM 0 H PHE A 75 46.219 16.793 3.808 1.00 0.00 H new ATOM 0 HA PHE A 75 43.919 18.474 4.582 1.00 0.00 H new ATOM 0 HB2 PHE A 75 46.426 19.393 3.117 1.00 0.00 H new ATOM 0 HB3 PHE A 75 44.988 20.362 3.372 1.00 0.00 H new ATOM 0 HD1 PHE A 75 47.632 18.506 5.239 1.00 0.00 H new ATOM 0 HD2 PHE A 75 44.784 21.672 5.304 1.00 0.00 H new ATOM 0 HE1 PHE A 75 48.533 19.270 7.393 1.00 0.00 H new ATOM 0 HE2 PHE A 75 45.684 22.439 7.457 1.00 0.00 H new ATOM 0 HZ PHE A 75 47.559 21.236 8.508 1.00 0.00 H new ATOM 1166 N MET A 76 42.883 17.899 2.424 1.00 0.00 N ATOM 1167 CA MET A 76 42.229 17.557 1.166 1.00 0.00 C ATOM 1168 C MET A 76 42.633 18.529 0.062 1.00 0.00 C ATOM 1169 O MET A 76 42.910 18.121 -1.066 1.00 0.00 O ATOM 1170 CB MET A 76 40.709 17.565 1.338 1.00 0.00 C ATOM 1171 CG MET A 76 39.949 17.486 0.024 1.00 0.00 C ATOM 1172 SD MET A 76 38.184 17.203 0.259 1.00 0.00 S ATOM 1173 CE MET A 76 37.621 18.862 0.633 1.00 0.00 C ATOM 0 H MET A 76 42.242 18.115 3.187 1.00 0.00 H new ATOM 0 HA MET A 76 42.549 16.555 0.879 1.00 0.00 H new ATOM 0 HB2 MET A 76 40.418 16.724 1.968 1.00 0.00 H new ATOM 0 HB3 MET A 76 40.416 18.474 1.864 1.00 0.00 H new ATOM 0 HG2 MET A 76 40.094 18.413 -0.531 1.00 0.00 H new ATOM 0 HG3 MET A 76 40.364 16.682 -0.584 1.00 0.00 H new ATOM 0 HE1 MET A 76 36.576 18.831 0.942 1.00 0.00 H new ATOM 0 HE2 MET A 76 38.226 19.278 1.439 1.00 0.00 H new ATOM 0 HE3 MET A 76 37.718 19.488 -0.254 1.00 0.00 H new ATOM 1183 N TRP A 77 42.664 19.814 0.394 1.00 0.00 N ATOM 1184 CA TRP A 77 43.034 20.844 -0.571 1.00 0.00 C ATOM 1185 C TRP A 77 44.549 20.953 -0.696 1.00 0.00 C ATOM 1186 O TRP A 77 45.283 20.636 0.240 1.00 0.00 O ATOM 1187 CB TRP A 77 42.445 22.194 -0.157 1.00 0.00 C ATOM 1188 CG TRP A 77 40.979 22.134 0.149 1.00 0.00 C ATOM 1189 CD1 TRP A 77 40.404 21.802 1.343 1.00 0.00 C ATOM 1190 CD2 TRP A 77 39.903 22.412 -0.753 1.00 0.00 C ATOM 1191 NE1 TRP A 77 39.036 21.857 1.237 1.00 0.00 N ATOM 1192 CE2 TRP A 77 38.703 22.230 -0.039 1.00 0.00 C ATOM 1193 CE3 TRP A 77 39.837 22.800 -2.094 1.00 0.00 C ATOM 1194 CZ2 TRP A 77 37.453 22.421 -0.623 1.00 0.00 C ATOM 1195 CZ3 TRP A 77 38.596 22.988 -2.672 1.00 0.00 C ATOM 1196 CH2 TRP A 77 37.418 22.800 -1.937 1.00 0.00 C ATOM 0 H TRP A 77 42.438 20.168 1.323 1.00 0.00 H new ATOM 0 HA TRP A 77 42.628 20.561 -1.542 1.00 0.00 H new ATOM 0 HB2 TRP A 77 42.977 22.561 0.721 1.00 0.00 H new ATOM 0 HB3 TRP A 77 42.613 22.916 -0.956 1.00 0.00 H new ATOM 0 HD1 TRP A 77 40.946 21.535 2.239 1.00 0.00 H new ATOM 0 HE1 TRP A 77 38.375 21.653 1.987 1.00 0.00 H new ATOM 0 HE3 TRP A 77 40.739 22.950 -2.668 1.00 0.00 H new ATOM 0 HZ2 TRP A 77 36.544 22.275 -0.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 77 38.533 23.285 -3.708 1.00 0.00 H new ATOM 0 HH2 TRP A 77 36.464 22.957 -2.417 1.00 0.00 H new ATOM 1207 N ARG A 78 45.012 21.403 -1.858 1.00 0.00 N ATOM 1208 CA ARG A 78 46.441 21.553 -2.105 1.00 0.00 C ATOM 1209 C ARG A 78 46.976 22.822 -1.449 1.00 0.00 C ATOM 1210 O ARG A 78 47.939 22.777 -0.682 1.00 0.00 O ATOM 1211 CB ARG A 78 46.719 21.587 -3.609 1.00 0.00 C ATOM 1212 CG ARG A 78 48.174 21.859 -3.953 1.00 0.00 C ATOM 1213 CD ARG A 78 48.375 21.997 -5.454 1.00 0.00 C ATOM 1214 NE ARG A 78 49.648 22.634 -5.780 1.00 0.00 N ATOM 1215 CZ ARG A 78 49.913 23.187 -6.958 1.00 0.00 C ATOM 1216 NH1 ARG A 78 48.998 23.180 -7.918 1.00 0.00 N ATOM 1217 NH2 ARG A 78 51.095 23.748 -7.178 1.00 0.00 N ATOM 0 H ARG A 78 44.418 21.670 -2.643 1.00 0.00 H new ATOM 0 HA ARG A 78 46.952 20.696 -1.667 1.00 0.00 H new ATOM 0 HB2 ARG A 78 46.423 20.633 -4.046 1.00 0.00 H new ATOM 0 HB3 ARG A 78 46.096 22.355 -4.068 1.00 0.00 H new ATOM 0 HG2 ARG A 78 48.502 22.772 -3.455 1.00 0.00 H new ATOM 0 HG3 ARG A 78 48.796 21.048 -3.574 1.00 0.00 H new ATOM 0 HD2 ARG A 78 48.334 21.011 -5.917 1.00 0.00 H new ATOM 0 HD3 ARG A 78 47.558 22.582 -5.877 1.00 0.00 H new ATOM 0 HE ARG A 78 50.374 22.655 -5.063 1.00 0.00 H new ATOM 0 HH11 ARG A 78 48.088 22.749 -7.752 1.00 0.00 H new ATOM 0 HH12 ARG A 78 49.204 23.605 -8.822 1.00 0.00 H new ATOM 0 HH21 ARG A 78 51.801 23.755 -6.442 1.00 0.00 H new ATOM 0 HH22 ARG A 78 51.298 24.172 -8.083 1.00 0.00 H new ATOM 1231 N ASP A 79 46.347 23.951 -1.755 1.00 0.00 N ATOM 1232 CA ASP A 79 46.759 25.232 -1.194 1.00 0.00 C ATOM 1233 C ASP A 79 46.772 25.180 0.330 1.00 0.00 C ATOM 1234 O ASP A 79 47.626 25.788 0.975 1.00 0.00 O ATOM 1235 CB ASP A 79 45.825 26.346 -1.671 1.00 0.00 C ATOM 1236 CG ASP A 79 45.565 26.285 -3.163 1.00 0.00 C ATOM 1237 OD1 ASP A 79 46.484 26.623 -3.938 1.00 0.00 O ATOM 1238 OD2 ASP A 79 44.444 25.901 -3.556 1.00 0.00 O ATOM 0 H ASP A 79 45.550 24.005 -2.389 1.00 0.00 H new ATOM 0 HA ASP A 79 47.771 25.443 -1.540 1.00 0.00 H new ATOM 0 HB2 ASP A 79 44.877 26.275 -1.137 1.00 0.00 H new ATOM 0 HB3 ASP A 79 46.260 27.313 -1.420 1.00 0.00 H new ATOM 1243 N SER A 80 45.819 24.449 0.900 1.00 0.00 N ATOM 1244 CA SER A 80 45.718 24.321 2.349 1.00 0.00 C ATOM 1245 C SER A 80 46.914 23.558 2.912 1.00 0.00 C ATOM 1246 O SER A 80 47.315 23.766 4.057 1.00 0.00 O ATOM 1247 CB SER A 80 44.419 23.609 2.730 1.00 0.00 C ATOM 1248 OG SER A 80 44.460 22.241 2.362 1.00 0.00 O ATOM 0 H SER A 80 45.106 23.937 0.381 1.00 0.00 H new ATOM 0 HA SER A 80 45.714 25.323 2.778 1.00 0.00 H new ATOM 0 HB2 SER A 80 44.255 23.695 3.804 1.00 0.00 H new ATOM 0 HB3 SER A 80 43.576 24.096 2.239 1.00 0.00 H new ATOM 0 HG SER A 80 44.985 22.139 1.541 1.00 0.00 H new ATOM 1254 N PHE A 81 47.479 22.673 2.097 1.00 0.00 N ATOM 1255 CA PHE A 81 48.628 21.877 2.513 1.00 0.00 C ATOM 1256 C PHE A 81 49.878 22.744 2.626 1.00 0.00 C ATOM 1257 O PHE A 81 50.446 22.897 3.708 1.00 0.00 O ATOM 1258 CB PHE A 81 48.871 20.738 1.520 1.00 0.00 C ATOM 1259 CG PHE A 81 50.257 20.164 1.595 1.00 0.00 C ATOM 1260 CD1 PHE A 81 50.629 19.350 2.653 1.00 0.00 C ATOM 1261 CD2 PHE A 81 51.190 20.439 0.607 1.00 0.00 C ATOM 1262 CE1 PHE A 81 51.903 18.820 2.724 1.00 0.00 C ATOM 1263 CE2 PHE A 81 52.465 19.911 0.673 1.00 0.00 C ATOM 1264 CZ PHE A 81 52.823 19.102 1.733 1.00 0.00 C ATOM 0 H PHE A 81 47.160 22.489 1.146 1.00 0.00 H new ATOM 0 HA PHE A 81 48.411 21.455 3.494 1.00 0.00 H new ATOM 0 HB2 PHE A 81 48.147 19.944 1.705 1.00 0.00 H new ATOM 0 HB3 PHE A 81 48.692 21.104 0.509 1.00 0.00 H new ATOM 0 HD1 PHE A 81 49.914 19.127 3.432 1.00 0.00 H new ATOM 0 HD2 PHE A 81 50.917 21.073 -0.224 1.00 0.00 H new ATOM 0 HE1 PHE A 81 52.179 18.186 3.553 1.00 0.00 H new ATOM 0 HE2 PHE A 81 53.182 20.131 -0.104 1.00 0.00 H new ATOM 0 HZ PHE A 81 53.820 18.691 1.787 1.00 0.00 H new ATOM 1274 N HIS A 82 50.302 23.310 1.500 1.00 0.00 N ATOM 1275 CA HIS A 82 51.486 24.162 1.472 1.00 0.00 C ATOM 1276 C HIS A 82 51.308 25.369 2.388 1.00 0.00 C ATOM 1277 O HIS A 82 52.215 25.730 3.138 1.00 0.00 O ATOM 1278 CB HIS A 82 51.770 24.629 0.044 1.00 0.00 C ATOM 1279 CG HIS A 82 52.059 23.508 -0.907 1.00 0.00 C ATOM 1280 ND1 HIS A 82 51.124 23.010 -1.790 1.00 0.00 N ATOM 1281 CD2 HIS A 82 53.187 22.789 -1.110 1.00 0.00 C ATOM 1282 CE1 HIS A 82 51.665 22.032 -2.494 1.00 0.00 C ATOM 1283 NE2 HIS A 82 52.917 21.878 -2.101 1.00 0.00 N ATOM 0 H HIS A 82 49.844 23.194 0.596 1.00 0.00 H new ATOM 0 HA HIS A 82 52.333 23.577 1.831 1.00 0.00 H new ATOM 0 HB2 HIS A 82 50.912 25.193 -0.322 1.00 0.00 H new ATOM 0 HB3 HIS A 82 52.619 25.312 0.056 1.00 0.00 H new ATOM 0 HD2 HIS A 82 54.125 22.909 -0.589 1.00 0.00 H new ATOM 0 HE1 HIS A 82 51.168 21.456 -3.261 1.00 0.00 H new ATOM 0 HE2 HIS A 82 53.576 21.194 -2.473 1.00 0.00 H new ATOM 1291 N ARG A 83 50.135 25.989 2.321 1.00 0.00 N ATOM 1292 CA ARG A 83 49.839 27.156 3.144 1.00 0.00 C ATOM 1293 C ARG A 83 50.155 26.881 4.611 1.00 0.00 C ATOM 1294 O ARG A 83 50.753 27.712 5.295 1.00 0.00 O ATOM 1295 CB ARG A 83 48.370 27.554 2.992 1.00 0.00 C ATOM 1296 CG ARG A 83 47.924 28.623 3.978 1.00 0.00 C ATOM 1297 CD ARG A 83 46.457 28.975 3.791 1.00 0.00 C ATOM 1298 NE ARG A 83 46.271 30.046 2.816 1.00 0.00 N ATOM 1299 CZ ARG A 83 46.512 31.327 3.076 1.00 0.00 C ATOM 1300 NH1 ARG A 83 46.947 31.693 4.274 1.00 0.00 N ATOM 1301 NH2 ARG A 83 46.319 32.243 2.137 1.00 0.00 N ATOM 0 H ARG A 83 49.374 25.703 1.705 1.00 0.00 H new ATOM 0 HA ARG A 83 50.468 27.979 2.804 1.00 0.00 H new ATOM 0 HB2 ARG A 83 48.203 27.915 1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 83 47.747 26.669 3.122 1.00 0.00 H new ATOM 0 HG2 ARG A 83 48.088 28.271 4.997 1.00 0.00 H new ATOM 0 HG3 ARG A 83 48.533 29.517 3.847 1.00 0.00 H new ATOM 0 HD2 ARG A 83 45.910 28.090 3.466 1.00 0.00 H new ATOM 0 HD3 ARG A 83 46.032 29.278 4.748 1.00 0.00 H new ATOM 0 HE ARG A 83 45.938 29.797 1.884 1.00 0.00 H new ATOM 0 HH11 ARG A 83 47.097 30.991 4.998 1.00 0.00 H new ATOM 0 HH12 ARG A 83 47.131 32.677 4.471 1.00 0.00 H new ATOM 0 HH21 ARG A 83 45.985 31.965 1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 83 46.504 33.226 2.338 1.00 0.00 H new ATOM 1315 N HIS A 84 49.747 25.709 5.089 1.00 0.00 N ATOM 1316 CA HIS A 84 49.986 25.325 6.475 1.00 0.00 C ATOM 1317 C HIS A 84 51.413 24.816 6.660 1.00 0.00 C ATOM 1318 O HIS A 84 52.174 25.351 7.466 1.00 0.00 O ATOM 1319 CB HIS A 84 48.989 24.249 6.907 1.00 0.00 C ATOM 1320 CG HIS A 84 49.507 23.352 7.989 1.00 0.00 C ATOM 1321 ND1 HIS A 84 49.072 23.421 9.296 1.00 0.00 N ATOM 1322 CD2 HIS A 84 50.427 22.360 7.952 1.00 0.00 C ATOM 1323 CE1 HIS A 84 49.704 22.511 10.016 1.00 0.00 C ATOM 1324 NE2 HIS A 84 50.532 21.854 9.224 1.00 0.00 N ATOM 0 H HIS A 84 49.250 25.010 4.537 1.00 0.00 H new ATOM 0 HA HIS A 84 49.850 26.208 7.099 1.00 0.00 H new ATOM 0 HB2 HIS A 84 48.074 24.731 7.253 1.00 0.00 H new ATOM 0 HB3 HIS A 84 48.723 23.643 6.041 1.00 0.00 H new ATOM 0 HD1 HIS A 84 48.372 24.072 9.651 1.00 0.00 H new ATOM 0 HD2 HIS A 84 50.976 22.028 7.083 1.00 0.00 H new ATOM 0 HE1 HIS A 84 49.567 22.334 11.073 1.00 0.00 H new ATOM 1332 N VAL A 85 51.768 23.779 5.909 1.00 0.00 N ATOM 1333 CA VAL A 85 53.103 23.198 5.989 1.00 0.00 C ATOM 1334 C VAL A 85 54.173 24.283 6.026 1.00 0.00 C ATOM 1335 O VAL A 85 55.050 24.278 6.891 1.00 0.00 O ATOM 1336 CB VAL A 85 53.380 22.260 4.799 1.00 0.00 C ATOM 1337 CG1 VAL A 85 54.763 21.639 4.919 1.00 0.00 C ATOM 1338 CG2 VAL A 85 52.309 21.183 4.710 1.00 0.00 C ATOM 0 H VAL A 85 51.150 23.324 5.238 1.00 0.00 H new ATOM 0 HA VAL A 85 53.142 22.621 6.913 1.00 0.00 H new ATOM 0 HB VAL A 85 53.350 22.847 3.881 1.00 0.00 H new ATOM 0 HG11 VAL A 85 54.941 20.980 4.070 1.00 0.00 H new ATOM 0 HG12 VAL A 85 55.516 22.427 4.930 1.00 0.00 H new ATOM 0 HG13 VAL A 85 54.825 21.065 5.843 1.00 0.00 H new ATOM 0 HG21 VAL A 85 52.520 20.529 3.864 1.00 0.00 H new ATOM 0 HG22 VAL A 85 52.305 20.597 5.629 1.00 0.00 H new ATOM 0 HG23 VAL A 85 51.334 21.650 4.573 1.00 0.00 H new ATOM 1348 N THR A 86 54.096 25.216 5.082 1.00 0.00 N ATOM 1349 CA THR A 86 55.058 26.308 5.006 1.00 0.00 C ATOM 1350 C THR A 86 55.366 26.867 6.390 1.00 0.00 C ATOM 1351 O THR A 86 56.519 27.150 6.713 1.00 0.00 O ATOM 1352 CB THR A 86 54.543 27.448 4.107 1.00 0.00 C ATOM 1353 OG1 THR A 86 54.356 26.971 2.770 1.00 0.00 O ATOM 1354 CG2 THR A 86 55.518 28.616 4.102 1.00 0.00 C ATOM 0 H THR A 86 53.377 25.237 4.359 1.00 0.00 H new ATOM 0 HA THR A 86 55.970 25.897 4.573 1.00 0.00 H new ATOM 0 HB THR A 86 53.589 27.793 4.506 1.00 0.00 H new ATOM 0 HG1 THR A 86 53.672 26.269 2.766 1.00 0.00 H new ATOM 0 HG21 THR A 86 55.133 29.409 3.460 1.00 0.00 H new ATOM 0 HG22 THR A 86 55.636 28.996 5.117 1.00 0.00 H new ATOM 0 HG23 THR A 86 56.485 28.282 3.725 1.00 0.00 H new ATOM 1362 N SER A 87 54.327 27.023 7.204 1.00 0.00 N ATOM 1363 CA SER A 87 54.487 27.552 8.554 1.00 0.00 C ATOM 1364 C SER A 87 54.895 26.448 9.525 1.00 0.00 C ATOM 1365 O SER A 87 55.898 26.565 10.230 1.00 0.00 O ATOM 1366 CB SER A 87 53.187 28.206 9.025 1.00 0.00 C ATOM 1367 OG SER A 87 53.331 28.748 10.327 1.00 0.00 O ATOM 0 H SER A 87 53.366 26.791 6.953 1.00 0.00 H new ATOM 0 HA SER A 87 55.277 28.303 8.532 1.00 0.00 H new ATOM 0 HB2 SER A 87 52.900 28.994 8.329 1.00 0.00 H new ATOM 0 HB3 SER A 87 52.384 27.469 9.021 1.00 0.00 H new ATOM 0 HG SER A 87 52.487 29.162 10.604 1.00 0.00 H new ATOM 1373 N CYS A 88 54.110 25.376 9.556 1.00 0.00 N ATOM 1374 CA CYS A 88 54.387 24.250 10.440 1.00 0.00 C ATOM 1375 C CYS A 88 55.886 23.977 10.519 1.00 0.00 C ATOM 1376 O CYS A 88 56.404 23.591 11.567 1.00 0.00 O ATOM 1377 CB CYS A 88 53.655 22.999 9.951 1.00 0.00 C ATOM 1378 SG CYS A 88 53.389 21.741 11.242 1.00 0.00 S ATOM 0 H CYS A 88 53.277 25.264 8.979 1.00 0.00 H new ATOM 0 HA CYS A 88 54.029 24.506 11.437 1.00 0.00 H new ATOM 0 HB2 CYS A 88 52.689 23.293 9.541 1.00 0.00 H new ATOM 0 HB3 CYS A 88 54.225 22.553 9.136 1.00 0.00 H new ATOM 0 HG CYS A 88 52.475 20.904 10.850 1.00 0.00 H new ATOM 1383 N THR A 89 56.579 24.181 9.403 1.00 0.00 N ATOM 1384 CA THR A 89 58.018 23.956 9.344 1.00 0.00 C ATOM 1385 C THR A 89 58.784 25.154 9.893 1.00 0.00 C ATOM 1386 O THR A 89 59.721 24.999 10.677 1.00 0.00 O ATOM 1387 CB THR A 89 58.485 23.678 7.903 1.00 0.00 C ATOM 1388 OG1 THR A 89 57.696 22.632 7.325 1.00 0.00 O ATOM 1389 CG2 THR A 89 59.955 23.285 7.877 1.00 0.00 C ATOM 0 H THR A 89 56.166 24.502 8.527 1.00 0.00 H new ATOM 0 HA THR A 89 58.227 23.081 9.960 1.00 0.00 H new ATOM 0 HB THR A 89 58.359 24.591 7.321 1.00 0.00 H new ATOM 0 HG1 THR A 89 56.801 22.974 7.117 1.00 0.00 H new ATOM 0 HG21 THR A 89 60.262 23.094 6.849 1.00 0.00 H new ATOM 0 HG22 THR A 89 60.556 24.095 8.290 1.00 0.00 H new ATOM 0 HG23 THR A 89 60.101 22.384 8.473 1.00 0.00 H new ATOM 1397 N LYS A 90 58.381 26.350 9.476 1.00 0.00 N ATOM 1398 CA LYS A 90 59.028 27.576 9.927 1.00 0.00 C ATOM 1399 C LYS A 90 59.507 27.440 11.369 1.00 0.00 C ATOM 1400 O LYS A 90 60.684 27.647 11.664 1.00 0.00 O ATOM 1401 CB LYS A 90 58.064 28.759 9.808 1.00 0.00 C ATOM 1402 CG LYS A 90 57.889 29.260 8.385 1.00 0.00 C ATOM 1403 CD LYS A 90 58.895 30.348 8.049 1.00 0.00 C ATOM 1404 CE LYS A 90 58.520 31.673 8.696 1.00 0.00 C ATOM 1405 NZ LYS A 90 57.365 32.316 8.011 1.00 0.00 N ATOM 0 H LYS A 90 57.609 26.496 8.826 1.00 0.00 H new ATOM 0 HA LYS A 90 59.894 27.755 9.290 1.00 0.00 H new ATOM 0 HB2 LYS A 90 57.091 28.466 10.203 1.00 0.00 H new ATOM 0 HB3 LYS A 90 58.427 29.577 10.430 1.00 0.00 H new ATOM 0 HG2 LYS A 90 58.004 28.429 7.689 1.00 0.00 H new ATOM 0 HG3 LYS A 90 56.878 29.646 8.256 1.00 0.00 H new ATOM 0 HD2 LYS A 90 59.886 30.045 8.386 1.00 0.00 H new ATOM 0 HD3 LYS A 90 58.950 30.473 6.968 1.00 0.00 H new ATOM 0 HE2 LYS A 90 58.275 31.508 9.745 1.00 0.00 H new ATOM 0 HE3 LYS A 90 59.378 32.345 8.671 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 57.246 33.286 8.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 57.540 32.342 6.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 56.501 31.770 8.201 1.00 0.00 H new ATOM 1419 N SER A 91 58.587 27.090 12.263 1.00 0.00 N ATOM 1420 CA SER A 91 58.916 26.929 13.674 1.00 0.00 C ATOM 1421 C SER A 91 59.821 25.719 13.887 1.00 0.00 C ATOM 1422 O SER A 91 60.771 25.770 14.669 1.00 0.00 O ATOM 1423 CB SER A 91 57.639 26.775 14.503 1.00 0.00 C ATOM 1424 OG SER A 91 57.058 28.037 14.784 1.00 0.00 O ATOM 0 H SER A 91 57.609 26.913 12.035 1.00 0.00 H new ATOM 0 HA SER A 91 59.449 27.822 14.001 1.00 0.00 H new ATOM 0 HB2 SER A 91 56.924 26.154 13.963 1.00 0.00 H new ATOM 0 HB3 SER A 91 57.867 26.260 15.436 1.00 0.00 H new ATOM 0 HG SER A 91 56.243 27.911 15.313 1.00 0.00 H new ATOM 1430 N TYR A 92 59.521 24.633 13.184 1.00 0.00 N ATOM 1431 CA TYR A 92 60.305 23.409 13.297 1.00 0.00 C ATOM 1432 C TYR A 92 61.785 23.685 13.048 1.00 0.00 C ATOM 1433 O TYR A 92 62.640 23.309 13.849 1.00 0.00 O ATOM 1434 CB TYR A 92 59.797 22.360 12.306 1.00 0.00 C ATOM 1435 CG TYR A 92 60.715 21.167 12.163 1.00 0.00 C ATOM 1436 CD1 TYR A 92 61.947 21.286 11.530 1.00 0.00 C ATOM 1437 CD2 TYR A 92 60.351 19.922 12.660 1.00 0.00 C ATOM 1438 CE1 TYR A 92 62.789 20.198 11.397 1.00 0.00 C ATOM 1439 CE2 TYR A 92 61.187 18.830 12.533 1.00 0.00 C ATOM 1440 CZ TYR A 92 62.405 18.973 11.900 1.00 0.00 C ATOM 1441 OH TYR A 92 63.240 17.887 11.770 1.00 0.00 O ATOM 0 H TYR A 92 58.741 24.575 12.530 1.00 0.00 H new ATOM 0 HA TYR A 92 60.191 23.027 14.311 1.00 0.00 H new ATOM 0 HB2 TYR A 92 58.814 22.015 12.627 1.00 0.00 H new ATOM 0 HB3 TYR A 92 59.668 22.827 11.330 1.00 0.00 H new ATOM 0 HD1 TYR A 92 62.251 22.244 11.136 1.00 0.00 H new ATOM 0 HD2 TYR A 92 59.398 19.806 13.154 1.00 0.00 H new ATOM 0 HE1 TYR A 92 63.743 20.307 10.902 1.00 0.00 H new ATOM 0 HE2 TYR A 92 60.889 17.869 12.927 1.00 0.00 H new ATOM 0 HH TYR A 92 62.821 17.101 12.179 1.00 0.00 H new ATOM 1451 N GLU A 93 62.077 24.346 11.933 1.00 0.00 N ATOM 1452 CA GLU A 93 63.453 24.673 11.578 1.00 0.00 C ATOM 1453 C GLU A 93 64.149 25.408 12.720 1.00 0.00 C ATOM 1454 O GLU A 93 65.280 25.084 13.083 1.00 0.00 O ATOM 1455 CB GLU A 93 63.487 25.530 10.310 1.00 0.00 C ATOM 1456 CG GLU A 93 63.545 24.717 9.028 1.00 0.00 C ATOM 1457 CD GLU A 93 63.421 25.577 7.785 1.00 0.00 C ATOM 1458 OE1 GLU A 93 62.405 26.292 7.657 1.00 0.00 O ATOM 1459 OE2 GLU A 93 64.340 25.536 6.941 1.00 0.00 O ATOM 0 H GLU A 93 61.380 24.666 11.260 1.00 0.00 H new ATOM 0 HA GLU A 93 63.984 23.740 11.391 1.00 0.00 H new ATOM 0 HB2 GLU A 93 62.602 26.166 10.287 1.00 0.00 H new ATOM 0 HB3 GLU A 93 64.353 26.191 10.351 1.00 0.00 H new ATOM 0 HG2 GLU A 93 64.486 24.168 8.993 1.00 0.00 H new ATOM 0 HG3 GLU A 93 62.744 23.977 9.035 1.00 0.00 H new