USER MOD reduce.3.24.130724 H: found=0, std=0, add=491, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 490 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 27 HIS :FLIP no HE2:sc= -3.28 F(o=-11,f=-10) USER MOD Set 1.2: A 31 HIS : no HD1:sc= -7.03 K(o=-10,f=-11!) USER MOD Set 1.3: A 34 SER OG : rot 168:sc= 0 USER MOD Set 2.1: A 14 SER OG : rot 180:sc= -0.313 USER MOD Set 2.2: A 15 SER OG : rot -137:sc= 0.0311 USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 GLN :FLIP amide:sc= -1.82 F(o=-2.3,f=-1.8) USER MOD Single : A 22 THR OG1 : rot 83:sc= 1.27 USER MOD Single : A 23 SER OG : rot 106:sc= 1.1 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 ASN : amide:sc= -3.67 K(o=-3.7,f=-7.2!) USER MOD Single : A 42 SER OG : rot 180:sc= -1.14 USER MOD Single : A 43 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 CYS SG : rot 141:sc=-0.00456 USER MOD Single : A 46 SER OG : rot 180:sc= -0.279 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot -138:sc= -0.223 USER MOD Single : A 52 MET CE :methyl -148:sc= -2.96 (180deg=-4.59!) USER MOD Single : A 53 SER OG : rot 180:sc= 0.0837 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot -117:sc= 1.13 USER MOD Single : A 59 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.144) USER MOD Single : A 63 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 65 LYS NZ :NH3+ -115:sc= 0 (180deg=-0.0744) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 68 LYS NZ :NH3+ -163:sc= -1.57 (180deg=-2.6) USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 163 N LYS A 12 -14.771 10.611 -2.937 1.00 0.00 N ATOM 164 CA LYS A 12 -13.944 9.735 -3.820 1.00 0.00 C ATOM 165 C LYS A 12 -14.694 8.435 -4.126 1.00 0.00 C ATOM 166 O LYS A 12 -15.872 8.310 -3.849 1.00 0.00 O ATOM 167 CB LYS A 12 -12.677 9.445 -3.014 1.00 0.00 C ATOM 168 CG LYS A 12 -11.897 10.743 -2.803 1.00 0.00 C ATOM 169 CD LYS A 12 -10.864 10.543 -1.693 1.00 0.00 C ATOM 170 CE LYS A 12 -10.497 11.898 -1.085 1.00 0.00 C ATOM 171 NZ LYS A 12 -9.783 11.571 0.181 1.00 0.00 N ATOM 0 HA LYS A 12 -13.720 10.206 -4.777 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -12.938 9.005 -2.052 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -12.058 8.718 -3.539 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -11.400 11.036 -3.728 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -12.579 11.551 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -11.265 9.884 -0.923 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -9.973 10.059 -2.094 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -9.863 12.474 -1.759 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -11.386 12.498 -0.893 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -9.499 12.451 0.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -10.414 11.028 0.805 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -8.937 11.005 -0.034 1.00 0.00 H new ATOM 185 N MET A 13 -14.016 7.471 -4.694 1.00 0.00 N ATOM 186 CA MET A 13 -14.679 6.174 -5.022 1.00 0.00 C ATOM 187 C MET A 13 -13.932 5.016 -4.353 1.00 0.00 C ATOM 188 O MET A 13 -12.915 4.561 -4.840 1.00 0.00 O ATOM 189 CB MET A 13 -14.593 6.059 -6.544 1.00 0.00 C ATOM 190 CG MET A 13 -15.821 6.718 -7.176 1.00 0.00 C ATOM 191 SD MET A 13 -15.580 8.511 -7.231 1.00 0.00 S ATOM 192 CE MET A 13 -17.310 8.979 -6.978 1.00 0.00 C ATOM 0 H MET A 13 -13.029 7.527 -4.945 1.00 0.00 H new ATOM 0 HA MET A 13 -15.709 6.135 -4.668 1.00 0.00 H new ATOM 0 HB2 MET A 13 -13.683 6.539 -6.905 1.00 0.00 H new ATOM 0 HB3 MET A 13 -14.538 5.011 -6.838 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.978 6.330 -8.182 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.714 6.478 -6.599 1.00 0.00 H new ATOM 0 HE1 MET A 13 -17.397 10.066 -6.977 1.00 0.00 H new ATOM 0 HE2 MET A 13 -17.920 8.567 -7.782 1.00 0.00 H new ATOM 0 HE3 MET A 13 -17.657 8.586 -6.022 1.00 0.00 H new ATOM 202 N SER A 14 -14.434 4.541 -3.242 1.00 0.00 N ATOM 203 CA SER A 14 -13.759 3.411 -2.533 1.00 0.00 C ATOM 204 C SER A 14 -14.136 2.079 -3.186 1.00 0.00 C ATOM 205 O SER A 14 -14.838 2.042 -4.178 1.00 0.00 O ATOM 206 CB SER A 14 -14.282 3.472 -1.098 1.00 0.00 C ATOM 207 OG SER A 14 -13.889 2.296 -0.404 1.00 0.00 O ATOM 0 H SER A 14 -15.283 4.887 -2.794 1.00 0.00 H new ATOM 0 HA SER A 14 -12.673 3.489 -2.573 1.00 0.00 H new ATOM 0 HB2 SER A 14 -13.889 4.354 -0.593 1.00 0.00 H new ATOM 0 HB3 SER A 14 -15.368 3.562 -1.098 1.00 0.00 H new ATOM 0 HG SER A 14 -14.222 2.333 0.517 1.00 0.00 H new ATOM 213 N SER A 15 -13.671 0.987 -2.634 1.00 0.00 N ATOM 214 CA SER A 15 -13.996 -0.351 -3.218 1.00 0.00 C ATOM 215 C SER A 15 -15.476 -0.679 -2.995 1.00 0.00 C ATOM 216 O SER A 15 -16.084 -1.393 -3.770 1.00 0.00 O ATOM 217 CB SER A 15 -13.109 -1.346 -2.468 1.00 0.00 C ATOM 218 OG SER A 15 -13.373 -1.252 -1.075 1.00 0.00 O ATOM 0 H SER A 15 -13.080 0.964 -1.803 1.00 0.00 H new ATOM 0 HA SER A 15 -13.819 -0.382 -4.293 1.00 0.00 H new ATOM 0 HB2 SER A 15 -13.302 -2.360 -2.819 1.00 0.00 H new ATOM 0 HB3 SER A 15 -12.058 -1.135 -2.666 1.00 0.00 H new ATOM 0 HG SER A 15 -12.528 -1.273 -0.580 1.00 0.00 H new ATOM 224 N TYR A 16 -16.055 -0.160 -1.942 1.00 0.00 N ATOM 225 CA TYR A 16 -17.499 -0.437 -1.661 1.00 0.00 C ATOM 226 C TYR A 16 -18.377 0.216 -2.731 1.00 0.00 C ATOM 227 O TYR A 16 -19.454 -0.261 -3.037 1.00 0.00 O ATOM 228 CB TYR A 16 -17.771 0.185 -0.290 1.00 0.00 C ATOM 229 CG TYR A 16 -19.007 -0.440 0.310 1.00 0.00 C ATOM 230 CD1 TYR A 16 -20.276 -0.022 -0.107 1.00 0.00 C ATOM 231 CD2 TYR A 16 -18.884 -1.437 1.285 1.00 0.00 C ATOM 232 CE1 TYR A 16 -21.422 -0.601 0.450 1.00 0.00 C ATOM 233 CE2 TYR A 16 -20.031 -2.016 1.842 1.00 0.00 C ATOM 234 CZ TYR A 16 -21.300 -1.599 1.424 1.00 0.00 C ATOM 235 OH TYR A 16 -22.430 -2.170 1.973 1.00 0.00 O ATOM 0 H TYR A 16 -15.591 0.444 -1.264 1.00 0.00 H new ATOM 0 HA TYR A 16 -17.722 -1.504 -1.671 1.00 0.00 H new ATOM 0 HB2 TYR A 16 -16.916 0.029 0.368 1.00 0.00 H new ATOM 0 HB3 TYR A 16 -17.906 1.262 -0.388 1.00 0.00 H new ATOM 0 HD1 TYR A 16 -20.371 0.748 -0.859 1.00 0.00 H new ATOM 0 HD2 TYR A 16 -17.905 -1.759 1.607 1.00 0.00 H new ATOM 0 HE1 TYR A 16 -22.401 -0.278 0.128 1.00 0.00 H new ATOM 0 HE2 TYR A 16 -19.936 -2.785 2.595 1.00 0.00 H new ATOM 0 HH TYR A 16 -22.168 -2.846 2.632 1.00 0.00 H new ATOM 245 N ALA A 17 -17.924 1.305 -3.300 1.00 0.00 N ATOM 246 CA ALA A 17 -18.728 1.997 -4.353 1.00 0.00 C ATOM 247 C ALA A 17 -18.605 1.249 -5.683 1.00 0.00 C ATOM 248 O ALA A 17 -19.550 1.163 -6.445 1.00 0.00 O ATOM 249 CB ALA A 17 -18.121 3.396 -4.466 1.00 0.00 C ATOM 0 H ALA A 17 -17.031 1.745 -3.080 1.00 0.00 H new ATOM 0 HA ALA A 17 -19.789 2.035 -4.104 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -18.660 3.966 -5.222 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -18.198 3.905 -3.505 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -17.072 3.316 -4.751 1.00 0.00 H new ATOM 255 N PHE A 18 -17.446 0.708 -5.964 1.00 0.00 N ATOM 256 CA PHE A 18 -17.253 -0.040 -7.244 1.00 0.00 C ATOM 257 C PHE A 18 -17.960 -1.397 -7.172 1.00 0.00 C ATOM 258 O PHE A 18 -18.396 -1.932 -8.173 1.00 0.00 O ATOM 259 CB PHE A 18 -15.741 -0.230 -7.374 1.00 0.00 C ATOM 260 CG PHE A 18 -15.139 0.970 -8.063 1.00 0.00 C ATOM 261 CD1 PHE A 18 -15.462 1.247 -9.397 1.00 0.00 C ATOM 262 CD2 PHE A 18 -14.258 1.808 -7.367 1.00 0.00 C ATOM 263 CE1 PHE A 18 -14.904 2.361 -10.036 1.00 0.00 C ATOM 264 CE2 PHE A 18 -13.700 2.922 -8.007 1.00 0.00 C ATOM 265 CZ PHE A 18 -14.023 3.198 -9.341 1.00 0.00 C ATOM 0 H PHE A 18 -16.624 0.752 -5.361 1.00 0.00 H new ATOM 0 HA PHE A 18 -17.669 0.493 -8.099 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -15.294 -0.358 -6.388 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -15.525 -1.135 -7.942 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -16.142 0.601 -9.933 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -14.009 1.595 -6.338 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -15.153 2.574 -11.065 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -13.020 3.568 -7.471 1.00 0.00 H new ATOM 0 HZ PHE A 18 -13.592 4.057 -9.834 1.00 0.00 H new ATOM 275 N PHE A 19 -18.075 -1.952 -5.992 1.00 0.00 N ATOM 276 CA PHE A 19 -18.755 -3.276 -5.844 1.00 0.00 C ATOM 277 C PHE A 19 -20.220 -3.168 -6.278 1.00 0.00 C ATOM 278 O PHE A 19 -20.689 -3.931 -7.100 1.00 0.00 O ATOM 279 CB PHE A 19 -18.660 -3.613 -4.354 1.00 0.00 C ATOM 280 CG PHE A 19 -18.978 -5.074 -4.146 1.00 0.00 C ATOM 281 CD1 PHE A 19 -18.088 -6.056 -4.599 1.00 0.00 C ATOM 282 CD2 PHE A 19 -20.160 -5.448 -3.498 1.00 0.00 C ATOM 283 CE1 PHE A 19 -18.382 -7.411 -4.405 1.00 0.00 C ATOM 284 CE2 PHE A 19 -20.455 -6.801 -3.304 1.00 0.00 C ATOM 285 CZ PHE A 19 -19.566 -7.784 -3.757 1.00 0.00 C ATOM 0 H PHE A 19 -17.727 -1.545 -5.124 1.00 0.00 H new ATOM 0 HA PHE A 19 -18.295 -4.046 -6.463 1.00 0.00 H new ATOM 0 HB2 PHE A 19 -17.659 -3.392 -3.983 1.00 0.00 H new ATOM 0 HB3 PHE A 19 -19.354 -2.994 -3.786 1.00 0.00 H new ATOM 0 HD1 PHE A 19 -17.175 -5.768 -5.098 1.00 0.00 H new ATOM 0 HD2 PHE A 19 -20.846 -4.691 -3.147 1.00 0.00 H new ATOM 0 HE1 PHE A 19 -17.696 -8.168 -4.755 1.00 0.00 H new ATOM 0 HE2 PHE A 19 -21.369 -7.088 -2.805 1.00 0.00 H new ATOM 0 HZ PHE A 19 -19.794 -8.829 -3.607 1.00 0.00 H new ATOM 295 N VAL A 20 -20.941 -2.223 -5.729 1.00 0.00 N ATOM 296 CA VAL A 20 -22.379 -2.056 -6.105 1.00 0.00 C ATOM 297 C VAL A 20 -22.482 -1.492 -7.528 1.00 0.00 C ATOM 298 O VAL A 20 -23.434 -1.753 -8.238 1.00 0.00 O ATOM 299 CB VAL A 20 -22.952 -1.067 -5.082 1.00 0.00 C ATOM 300 CG1 VAL A 20 -24.428 -0.796 -5.388 1.00 0.00 C ATOM 301 CG2 VAL A 20 -22.828 -1.663 -3.678 1.00 0.00 C ATOM 0 H VAL A 20 -20.596 -1.559 -5.036 1.00 0.00 H new ATOM 0 HA VAL A 20 -22.925 -3.000 -6.095 1.00 0.00 H new ATOM 0 HB VAL A 20 -22.396 -0.131 -5.137 1.00 0.00 H new ATOM 0 HG11 VAL A 20 -24.828 -0.093 -4.657 1.00 0.00 H new ATOM 0 HG12 VAL A 20 -24.520 -0.372 -6.388 1.00 0.00 H new ATOM 0 HG13 VAL A 20 -24.988 -1.730 -5.337 1.00 0.00 H new ATOM 0 HG21 VAL A 20 -23.234 -0.963 -2.948 1.00 0.00 H new ATOM 0 HG22 VAL A 20 -23.383 -2.600 -3.630 1.00 0.00 H new ATOM 0 HG23 VAL A 20 -21.778 -1.852 -3.454 1.00 0.00 H new ATOM 311 N GLN A 21 -21.508 -0.723 -7.944 1.00 0.00 N ATOM 312 CA GLN A 21 -21.543 -0.141 -9.321 1.00 0.00 C ATOM 313 C GLN A 21 -21.370 -1.249 -10.365 1.00 0.00 C ATOM 314 O GLN A 21 -21.917 -1.182 -11.449 1.00 0.00 O ATOM 315 CB GLN A 21 -20.369 0.838 -9.378 1.00 0.00 C ATOM 316 CG GLN A 21 -20.483 1.702 -10.636 1.00 0.00 C ATOM 317 CD GLN A 21 -19.885 0.951 -11.827 1.00 0.00 C ATOM 318 OE1 GLN A 21 -20.654 0.626 -12.831 1.00 0.00 O flip ATOM 319 NE2 GLN A 21 -18.706 0.658 -11.846 1.00 0.00 N flip ATOM 0 H GLN A 21 -20.689 -0.473 -7.390 1.00 0.00 H new ATOM 0 HA GLN A 21 -22.491 0.354 -9.533 1.00 0.00 H new ATOM 0 HB2 GLN A 21 -20.365 1.470 -8.490 1.00 0.00 H new ATOM 0 HB3 GLN A 21 -19.426 0.291 -9.384 1.00 0.00 H new ATOM 0 HG2 GLN A 21 -21.528 1.942 -10.832 1.00 0.00 H new ATOM 0 HG3 GLN A 21 -19.961 2.647 -10.489 1.00 0.00 H new ATOM 0 HE21 GLN A 21 -18.105 0.912 -11.062 1.00 0.00 H new ATOM 0 HE22 GLN A 21 -18.317 0.158 -12.646 1.00 0.00 H new ATOM 328 N THR A 22 -20.612 -2.265 -10.041 1.00 0.00 N ATOM 329 CA THR A 22 -20.397 -3.385 -11.005 1.00 0.00 C ATOM 330 C THR A 22 -21.524 -4.413 -10.878 1.00 0.00 C ATOM 331 O THR A 22 -21.874 -5.083 -11.831 1.00 0.00 O ATOM 332 CB THR A 22 -19.057 -4.004 -10.601 1.00 0.00 C ATOM 333 OG1 THR A 22 -18.062 -2.990 -10.563 1.00 0.00 O ATOM 334 CG2 THR A 22 -18.659 -5.074 -11.619 1.00 0.00 C ATOM 0 H THR A 22 -20.131 -2.367 -9.147 1.00 0.00 H new ATOM 0 HA THR A 22 -20.392 -3.045 -12.041 1.00 0.00 H new ATOM 0 HB THR A 22 -19.149 -4.461 -9.616 1.00 0.00 H new ATOM 0 HG1 THR A 22 -18.101 -2.525 -9.701 1.00 0.00 H new ATOM 0 HG21 THR A 22 -17.705 -5.514 -11.330 1.00 0.00 H new ATOM 0 HG22 THR A 22 -19.423 -5.851 -11.648 1.00 0.00 H new ATOM 0 HG23 THR A 22 -18.566 -4.621 -12.606 1.00 0.00 H new ATOM 342 N SER A 23 -22.093 -4.538 -9.706 1.00 0.00 N ATOM 343 CA SER A 23 -23.200 -5.519 -9.504 1.00 0.00 C ATOM 344 C SER A 23 -24.540 -4.897 -9.910 1.00 0.00 C ATOM 345 O SER A 23 -25.457 -5.588 -10.313 1.00 0.00 O ATOM 346 CB SER A 23 -23.184 -5.831 -8.009 1.00 0.00 C ATOM 347 OG SER A 23 -21.852 -6.116 -7.603 1.00 0.00 O ATOM 0 H SER A 23 -21.837 -4.000 -8.878 1.00 0.00 H new ATOM 0 HA SER A 23 -23.072 -6.417 -10.109 1.00 0.00 H new ATOM 0 HB2 SER A 23 -23.575 -4.984 -7.445 1.00 0.00 H new ATOM 0 HB3 SER A 23 -23.831 -6.682 -7.796 1.00 0.00 H new ATOM 0 HG SER A 23 -21.495 -5.357 -7.097 1.00 0.00 H new ATOM 353 N ARG A 24 -24.656 -3.597 -9.808 1.00 0.00 N ATOM 354 CA ARG A 24 -25.935 -2.921 -10.186 1.00 0.00 C ATOM 355 C ARG A 24 -26.064 -2.853 -11.711 1.00 0.00 C ATOM 356 O ARG A 24 -27.118 -3.101 -12.265 1.00 0.00 O ATOM 357 CB ARG A 24 -25.839 -1.515 -9.591 1.00 0.00 C ATOM 358 CG ARG A 24 -27.153 -0.767 -9.827 1.00 0.00 C ATOM 359 CD ARG A 24 -27.040 0.082 -11.096 1.00 0.00 C ATOM 360 NE ARG A 24 -26.527 1.401 -10.630 1.00 0.00 N ATOM 361 CZ ARG A 24 -26.939 2.499 -11.201 1.00 0.00 C ATOM 362 NH1 ARG A 24 -28.151 2.932 -10.983 1.00 0.00 N ATOM 363 NH2 ARG A 24 -26.140 3.166 -11.987 1.00 0.00 N ATOM 0 H ARG A 24 -23.919 -2.973 -9.479 1.00 0.00 H new ATOM 0 HA ARG A 24 -26.809 -3.457 -9.815 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -25.630 -1.575 -8.523 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -25.012 -0.971 -10.048 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -27.975 -1.477 -9.924 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -27.380 -0.131 -8.971 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -26.361 -0.374 -11.817 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -28.006 0.186 -11.589 1.00 0.00 H new ATOM 0 HE ARG A 24 -25.854 1.445 -9.865 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -28.775 2.412 -10.366 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -28.474 3.791 -11.429 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -25.192 2.829 -12.156 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -26.463 4.025 -12.433 1.00 0.00 H new ATOM 377 N GLU A 25 -24.995 -2.518 -12.392 1.00 0.00 N ATOM 378 CA GLU A 25 -25.042 -2.431 -13.882 1.00 0.00 C ATOM 379 C GLU A 25 -25.462 -3.778 -14.484 1.00 0.00 C ATOM 380 O GLU A 25 -26.047 -3.837 -15.549 1.00 0.00 O ATOM 381 CB GLU A 25 -23.615 -2.061 -14.303 1.00 0.00 C ATOM 382 CG GLU A 25 -22.629 -3.142 -13.845 1.00 0.00 C ATOM 383 CD GLU A 25 -21.254 -2.869 -14.458 1.00 0.00 C ATOM 384 OE1 GLU A 25 -20.635 -1.894 -14.065 1.00 0.00 O ATOM 385 OE2 GLU A 25 -20.844 -3.639 -15.311 1.00 0.00 O ATOM 0 H GLU A 25 -24.089 -2.301 -11.977 1.00 0.00 H new ATOM 0 HA GLU A 25 -25.769 -1.697 -14.231 1.00 0.00 H new ATOM 0 HB2 GLU A 25 -23.565 -1.949 -15.386 1.00 0.00 H new ATOM 0 HB3 GLU A 25 -23.338 -1.100 -13.870 1.00 0.00 H new ATOM 0 HG2 GLU A 25 -22.559 -3.149 -12.757 1.00 0.00 H new ATOM 0 HG3 GLU A 25 -22.985 -4.127 -14.148 1.00 0.00 H new ATOM 392 N GLU A 26 -25.169 -4.857 -13.803 1.00 0.00 N ATOM 393 CA GLU A 26 -25.548 -6.206 -14.321 1.00 0.00 C ATOM 394 C GLU A 26 -26.971 -6.562 -13.876 1.00 0.00 C ATOM 395 O GLU A 26 -27.660 -7.324 -14.526 1.00 0.00 O ATOM 396 CB GLU A 26 -24.534 -7.167 -13.701 1.00 0.00 C ATOM 397 CG GLU A 26 -24.785 -8.584 -14.221 1.00 0.00 C ATOM 398 CD GLU A 26 -23.575 -9.465 -13.907 1.00 0.00 C ATOM 399 OE1 GLU A 26 -23.264 -9.614 -12.737 1.00 0.00 O ATOM 400 OE2 GLU A 26 -22.980 -9.977 -14.841 1.00 0.00 O ATOM 0 H GLU A 26 -24.682 -4.861 -12.907 1.00 0.00 H new ATOM 0 HA GLU A 26 -25.536 -6.250 -15.410 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -23.520 -6.852 -13.949 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -24.617 -7.148 -12.614 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -25.680 -8.999 -13.758 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -24.963 -8.562 -15.296 1.00 0.00 H new ATOM 407 N HIS A 27 -27.412 -6.013 -12.771 1.00 0.00 N ATOM 408 CA HIS A 27 -28.791 -6.313 -12.275 1.00 0.00 C ATOM 409 C HIS A 27 -29.855 -5.696 -13.198 1.00 0.00 C ATOM 410 O HIS A 27 -31.030 -5.982 -13.066 1.00 0.00 O ATOM 411 CB HIS A 27 -28.862 -5.680 -10.883 1.00 0.00 C ATOM 412 CG HIS A 27 -30.126 -6.117 -10.196 1.00 0.00 C ATOM 413 ND1 HIS A 27 -31.437 -5.743 -10.362 1.00 0.00 N flip ATOM 414 CD2 HIS A 27 -30.129 -7.063 -9.183 1.00 0.00 C flip ATOM 415 CE1 HIS A 27 -32.241 -6.446 -9.470 1.00 0.00 C flip ATOM 416 NE2 HIS A 27 -31.403 -7.226 -8.783 1.00 0.00 N flip ATOM 0 H HIS A 27 -26.875 -5.369 -12.190 1.00 0.00 H new ATOM 0 HA HIS A 27 -28.985 -7.385 -12.251 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -27.994 -5.975 -10.293 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -28.837 -4.593 -10.965 1.00 0.00 H new ATOM 0 HD1 HIS A 27 -31.771 -5.055 -11.037 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -29.265 -7.576 -8.787 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -33.313 -6.376 -9.358 1.00 0.00 H new ATOM 424 N LYS A 28 -29.461 -4.854 -14.127 1.00 0.00 N ATOM 425 CA LYS A 28 -30.459 -4.227 -15.047 1.00 0.00 C ATOM 426 C LYS A 28 -30.628 -5.063 -16.324 1.00 0.00 C ATOM 427 O LYS A 28 -31.087 -4.567 -17.337 1.00 0.00 O ATOM 428 CB LYS A 28 -29.876 -2.854 -15.382 1.00 0.00 C ATOM 429 CG LYS A 28 -30.165 -1.881 -14.239 1.00 0.00 C ATOM 430 CD LYS A 28 -29.936 -0.446 -14.716 1.00 0.00 C ATOM 431 CE LYS A 28 -31.089 -0.022 -15.629 1.00 0.00 C ATOM 432 NZ LYS A 28 -30.921 1.448 -15.800 1.00 0.00 N ATOM 0 H LYS A 28 -28.492 -4.576 -14.285 1.00 0.00 H new ATOM 0 HA LYS A 28 -31.446 -4.158 -14.589 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -28.801 -2.934 -15.542 1.00 0.00 H new ATOM 0 HB3 LYS A 28 -30.310 -2.480 -16.310 1.00 0.00 H new ATOM 0 HG2 LYS A 28 -31.193 -2.001 -13.897 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -29.518 -2.100 -13.389 1.00 0.00 H new ATOM 0 HD2 LYS A 28 -29.869 0.227 -13.861 1.00 0.00 H new ATOM 0 HD3 LYS A 28 -28.989 -0.376 -15.252 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -31.045 -0.539 -16.588 1.00 0.00 H new ATOM 0 HE3 LYS A 28 -32.055 -0.260 -15.183 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 -31.675 1.814 -16.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 -30.974 1.914 -14.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 -29.996 1.644 -16.233 1.00 0.00 H new ATOM 446 N LYS A 29 -30.265 -6.321 -16.285 1.00 0.00 N ATOM 447 CA LYS A 29 -30.406 -7.187 -17.495 1.00 0.00 C ATOM 448 C LYS A 29 -31.383 -8.342 -17.229 1.00 0.00 C ATOM 449 O LYS A 29 -31.868 -8.972 -18.151 1.00 0.00 O ATOM 450 CB LYS A 29 -29.001 -7.728 -17.759 1.00 0.00 C ATOM 451 CG LYS A 29 -28.147 -6.638 -18.409 1.00 0.00 C ATOM 452 CD LYS A 29 -26.847 -7.252 -18.932 1.00 0.00 C ATOM 453 CE LYS A 29 -27.116 -7.964 -20.259 1.00 0.00 C ATOM 454 NZ LYS A 29 -25.771 -8.356 -20.765 1.00 0.00 N ATOM 0 H LYS A 29 -29.876 -6.786 -15.465 1.00 0.00 H new ATOM 0 HA LYS A 29 -30.803 -6.634 -18.346 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -28.544 -8.054 -16.825 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -29.052 -8.601 -18.410 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -28.696 -6.171 -19.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -27.926 -5.854 -17.685 1.00 0.00 H new ATOM 0 HD2 LYS A 29 -26.095 -6.475 -19.070 1.00 0.00 H new ATOM 0 HD3 LYS A 29 -26.447 -7.957 -18.204 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -27.754 -8.836 -20.117 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -27.627 -7.307 -20.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -25.873 -8.851 -21.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -25.188 -7.505 -20.897 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -25.312 -8.987 -20.077 1.00 0.00 H new ATOM 468 N LYS A 30 -31.674 -8.628 -15.981 1.00 0.00 N ATOM 469 CA LYS A 30 -32.615 -9.746 -15.662 1.00 0.00 C ATOM 470 C LYS A 30 -33.549 -9.354 -14.514 1.00 0.00 C ATOM 471 O LYS A 30 -34.046 -10.202 -13.798 1.00 0.00 O ATOM 472 CB LYS A 30 -31.722 -10.926 -15.253 1.00 0.00 C ATOM 473 CG LYS A 30 -30.798 -10.522 -14.091 1.00 0.00 C ATOM 474 CD LYS A 30 -29.334 -10.742 -14.488 1.00 0.00 C ATOM 475 CE LYS A 30 -29.026 -12.242 -14.491 1.00 0.00 C ATOM 476 NZ LYS A 30 -27.778 -12.375 -15.291 1.00 0.00 N ATOM 0 H LYS A 30 -31.300 -8.134 -15.171 1.00 0.00 H new ATOM 0 HA LYS A 30 -33.251 -9.995 -16.512 1.00 0.00 H new ATOM 0 HB2 LYS A 30 -32.341 -11.773 -14.956 1.00 0.00 H new ATOM 0 HB3 LYS A 30 -31.125 -11.251 -16.105 1.00 0.00 H new ATOM 0 HG2 LYS A 30 -30.960 -9.476 -13.833 1.00 0.00 H new ATOM 0 HG3 LYS A 30 -31.036 -11.110 -13.204 1.00 0.00 H new ATOM 0 HD2 LYS A 30 -29.146 -10.319 -15.475 1.00 0.00 H new ATOM 0 HD3 LYS A 30 -28.675 -10.226 -13.790 1.00 0.00 H new ATOM 0 HE2 LYS A 30 -28.888 -12.619 -13.478 1.00 0.00 H new ATOM 0 HE3 LYS A 30 -29.842 -12.812 -14.935 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 -27.502 -13.376 -15.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 -27.942 -12.014 -16.253 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 -27.017 -11.827 -14.841 1.00 0.00 H new ATOM 490 N HIS A 31 -33.796 -8.079 -14.340 1.00 0.00 N ATOM 491 CA HIS A 31 -34.703 -7.631 -13.239 1.00 0.00 C ATOM 492 C HIS A 31 -35.497 -6.387 -13.676 1.00 0.00 C ATOM 493 O HIS A 31 -35.230 -5.295 -13.213 1.00 0.00 O ATOM 494 CB HIS A 31 -33.776 -7.300 -12.064 1.00 0.00 C ATOM 495 CG HIS A 31 -33.019 -8.535 -11.659 1.00 0.00 C ATOM 496 ND1 HIS A 31 -33.660 -9.708 -11.295 1.00 0.00 N ATOM 497 CD2 HIS A 31 -31.675 -8.799 -11.573 1.00 0.00 C ATOM 498 CE1 HIS A 31 -32.710 -10.617 -11.013 1.00 0.00 C ATOM 499 NE2 HIS A 31 -31.483 -10.115 -11.164 1.00 0.00 N ATOM 0 H HIS A 31 -33.409 -7.329 -14.913 1.00 0.00 H new ATOM 0 HA HIS A 31 -35.435 -8.393 -12.972 1.00 0.00 H new ATOM 0 HB2 HIS A 31 -33.080 -6.510 -12.347 1.00 0.00 H new ATOM 0 HB3 HIS A 31 -34.358 -6.925 -11.222 1.00 0.00 H new ATOM 0 HD2 HIS A 31 -30.887 -8.093 -11.790 1.00 0.00 H new ATOM 0 HE1 HIS A 31 -32.915 -11.631 -10.702 1.00 0.00 H new ATOM 0 HE2 HIS A 31 -30.595 -10.593 -11.012 1.00 0.00 H new ATOM 507 N PRO A 32 -36.455 -6.585 -14.559 1.00 0.00 N ATOM 508 CA PRO A 32 -37.275 -5.448 -15.043 1.00 0.00 C ATOM 509 C PRO A 32 -38.264 -5.003 -13.961 1.00 0.00 C ATOM 510 O PRO A 32 -38.353 -3.835 -13.633 1.00 0.00 O ATOM 511 CB PRO A 32 -38.013 -6.020 -16.249 1.00 0.00 C ATOM 512 CG PRO A 32 -38.065 -7.495 -16.012 1.00 0.00 C ATOM 513 CD PRO A 32 -36.859 -7.857 -15.184 1.00 0.00 C ATOM 0 HA PRO A 32 -36.680 -4.570 -15.293 1.00 0.00 H new ATOM 0 HB2 PRO A 32 -39.015 -5.599 -16.334 1.00 0.00 H new ATOM 0 HB3 PRO A 32 -37.490 -5.788 -17.177 1.00 0.00 H new ATOM 0 HG2 PRO A 32 -38.984 -7.769 -15.493 1.00 0.00 H new ATOM 0 HG3 PRO A 32 -38.059 -8.037 -16.958 1.00 0.00 H new ATOM 0 HD2 PRO A 32 -37.102 -8.610 -14.434 1.00 0.00 H new ATOM 0 HD3 PRO A 32 -36.061 -8.269 -15.802 1.00 0.00 H new ATOM 521 N ASP A 33 -39.006 -5.929 -13.408 1.00 0.00 N ATOM 522 CA ASP A 33 -39.994 -5.570 -12.346 1.00 0.00 C ATOM 523 C ASP A 33 -39.420 -5.877 -10.961 1.00 0.00 C ATOM 524 O ASP A 33 -40.062 -6.502 -10.138 1.00 0.00 O ATOM 525 CB ASP A 33 -41.214 -6.447 -12.628 1.00 0.00 C ATOM 526 CG ASP A 33 -42.435 -5.872 -11.908 1.00 0.00 C ATOM 527 OD1 ASP A 33 -42.960 -4.875 -12.377 1.00 0.00 O ATOM 528 OD2 ASP A 33 -42.823 -6.436 -10.898 1.00 0.00 O ATOM 0 H ASP A 33 -38.970 -6.920 -13.647 1.00 0.00 H new ATOM 0 HA ASP A 33 -40.243 -4.509 -12.356 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -41.401 -6.494 -13.701 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -41.027 -7.467 -12.292 1.00 0.00 H new ATOM 533 N SER A 34 -38.213 -5.441 -10.701 1.00 0.00 N ATOM 534 CA SER A 34 -37.586 -5.703 -9.372 1.00 0.00 C ATOM 535 C SER A 34 -37.399 -4.389 -8.606 1.00 0.00 C ATOM 536 O SER A 34 -37.406 -4.364 -7.391 1.00 0.00 O ATOM 537 CB SER A 34 -36.232 -6.335 -9.690 1.00 0.00 C ATOM 538 OG SER A 34 -35.656 -6.840 -8.492 1.00 0.00 O ATOM 0 H SER A 34 -37.634 -4.914 -11.355 1.00 0.00 H new ATOM 0 HA SER A 34 -38.201 -6.350 -8.746 1.00 0.00 H new ATOM 0 HB2 SER A 34 -36.355 -7.139 -10.415 1.00 0.00 H new ATOM 0 HB3 SER A 34 -35.570 -5.596 -10.142 1.00 0.00 H new ATOM 0 HG SER A 34 -34.890 -7.410 -8.712 1.00 0.00 H new ATOM 544 N SER A 35 -37.228 -3.295 -9.312 1.00 0.00 N ATOM 545 CA SER A 35 -37.036 -1.967 -8.641 1.00 0.00 C ATOM 546 C SER A 35 -35.901 -2.038 -7.611 1.00 0.00 C ATOM 547 O SER A 35 -36.103 -2.445 -6.483 1.00 0.00 O ATOM 548 CB SER A 35 -38.369 -1.662 -7.951 1.00 0.00 C ATOM 549 OG SER A 35 -39.435 -1.934 -8.851 1.00 0.00 O ATOM 0 H SER A 35 -37.213 -3.265 -10.331 1.00 0.00 H new ATOM 0 HA SER A 35 -36.762 -1.191 -9.356 1.00 0.00 H new ATOM 0 HB2 SER A 35 -38.473 -2.268 -7.051 1.00 0.00 H new ATOM 0 HB3 SER A 35 -38.399 -0.619 -7.637 1.00 0.00 H new ATOM 0 HG SER A 35 -40.290 -1.742 -8.413 1.00 0.00 H new ATOM 555 N VAL A 36 -34.713 -1.645 -7.997 1.00 0.00 N ATOM 556 CA VAL A 36 -33.561 -1.689 -7.048 1.00 0.00 C ATOM 557 C VAL A 36 -33.423 -0.348 -6.318 1.00 0.00 C ATOM 558 O VAL A 36 -32.881 0.604 -6.847 1.00 0.00 O ATOM 559 CB VAL A 36 -32.331 -1.958 -7.925 1.00 0.00 C ATOM 560 CG1 VAL A 36 -31.072 -2.007 -7.055 1.00 0.00 C ATOM 561 CG2 VAL A 36 -32.496 -3.302 -8.639 1.00 0.00 C ATOM 0 H VAL A 36 -34.492 -1.295 -8.929 1.00 0.00 H new ATOM 0 HA VAL A 36 -33.687 -2.454 -6.281 1.00 0.00 H new ATOM 0 HB VAL A 36 -32.236 -1.158 -8.659 1.00 0.00 H new ATOM 0 HG11 VAL A 36 -30.202 -2.198 -7.684 1.00 0.00 H new ATOM 0 HG12 VAL A 36 -30.946 -1.053 -6.543 1.00 0.00 H new ATOM 0 HG13 VAL A 36 -31.170 -2.804 -6.318 1.00 0.00 H new ATOM 0 HG21 VAL A 36 -31.622 -3.493 -9.262 1.00 0.00 H new ATOM 0 HG22 VAL A 36 -32.595 -4.097 -7.900 1.00 0.00 H new ATOM 0 HG23 VAL A 36 -33.388 -3.275 -9.264 1.00 0.00 H new ATOM 571 N ASN A 37 -33.900 -0.276 -5.100 1.00 0.00 N ATOM 572 CA ASN A 37 -33.786 0.996 -4.319 1.00 0.00 C ATOM 573 C ASN A 37 -32.531 0.950 -3.442 1.00 0.00 C ATOM 574 O ASN A 37 -32.567 1.266 -2.272 1.00 0.00 O ATOM 575 CB ASN A 37 -35.055 1.069 -3.459 1.00 0.00 C ATOM 576 CG ASN A 37 -35.164 -0.167 -2.558 1.00 0.00 C ATOM 577 OD1 ASN A 37 -34.257 -0.475 -1.813 1.00 0.00 O ATOM 578 ND2 ASN A 37 -36.248 -0.892 -2.599 1.00 0.00 N ATOM 0 H ASN A 37 -34.363 -1.043 -4.612 1.00 0.00 H new ATOM 0 HA ASN A 37 -33.698 1.872 -4.962 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -35.036 1.971 -2.848 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -35.933 1.137 -4.101 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -36.333 -1.717 -2.005 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -37.011 -0.634 -3.225 1.00 0.00 H new ATOM 585 N PHE A 38 -31.423 0.549 -4.019 1.00 0.00 N ATOM 586 CA PHE A 38 -30.131 0.450 -3.266 1.00 0.00 C ATOM 587 C PHE A 38 -30.251 -0.532 -2.096 1.00 0.00 C ATOM 588 O PHE A 38 -29.799 -1.647 -2.188 1.00 0.00 O ATOM 589 CB PHE A 38 -29.793 1.861 -2.767 1.00 0.00 C ATOM 590 CG PHE A 38 -29.630 2.782 -3.950 1.00 0.00 C ATOM 591 CD1 PHE A 38 -28.407 2.834 -4.630 1.00 0.00 C ATOM 592 CD2 PHE A 38 -30.698 3.584 -4.369 1.00 0.00 C ATOM 593 CE1 PHE A 38 -28.251 3.686 -5.729 1.00 0.00 C ATOM 594 CE2 PHE A 38 -30.542 4.437 -5.469 1.00 0.00 C ATOM 595 CZ PHE A 38 -29.319 4.488 -6.149 1.00 0.00 C ATOM 0 H PHE A 38 -31.359 0.281 -5.001 1.00 0.00 H new ATOM 0 HA PHE A 38 -29.339 0.071 -3.911 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -30.584 2.227 -2.113 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -28.876 1.841 -2.178 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -27.583 2.216 -4.306 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -31.641 3.545 -3.845 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -27.307 3.725 -6.253 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -31.366 5.056 -5.793 1.00 0.00 H new ATOM 0 HZ PHE A 38 -29.200 5.146 -6.997 1.00 0.00 H new ATOM 605 N ALA A 39 -30.845 -0.133 -0.998 1.00 0.00 N ATOM 606 CA ALA A 39 -30.968 -1.058 0.181 1.00 0.00 C ATOM 607 C ALA A 39 -31.541 -2.418 -0.222 1.00 0.00 C ATOM 608 O ALA A 39 -31.247 -3.420 0.402 1.00 0.00 O ATOM 609 CB ALA A 39 -31.903 -0.347 1.160 1.00 0.00 C ATOM 0 H ALA A 39 -31.251 0.793 -0.863 1.00 0.00 H new ATOM 0 HA ALA A 39 -29.992 -1.264 0.621 1.00 0.00 H new ATOM 0 HB1 ALA A 39 -32.039 -0.965 2.047 1.00 0.00 H new ATOM 0 HB2 ALA A 39 -31.468 0.610 1.448 1.00 0.00 H new ATOM 0 HB3 ALA A 39 -32.869 -0.178 0.683 1.00 0.00 H new ATOM 615 N GLU A 40 -32.330 -2.471 -1.259 1.00 0.00 N ATOM 616 CA GLU A 40 -32.886 -3.785 -1.696 1.00 0.00 C ATOM 617 C GLU A 40 -31.786 -4.618 -2.366 1.00 0.00 C ATOM 618 O GLU A 40 -31.905 -5.822 -2.496 1.00 0.00 O ATOM 619 CB GLU A 40 -33.998 -3.449 -2.692 1.00 0.00 C ATOM 620 CG GLU A 40 -34.884 -4.678 -2.902 1.00 0.00 C ATOM 621 CD GLU A 40 -35.756 -4.473 -4.142 1.00 0.00 C ATOM 622 OE1 GLU A 40 -35.204 -4.407 -5.227 1.00 0.00 O ATOM 623 OE2 GLU A 40 -36.963 -4.384 -3.984 1.00 0.00 O ATOM 0 H GLU A 40 -32.613 -1.668 -1.820 1.00 0.00 H new ATOM 0 HA GLU A 40 -33.268 -4.371 -0.860 1.00 0.00 H new ATOM 0 HB2 GLU A 40 -34.595 -2.617 -2.319 1.00 0.00 H new ATOM 0 HB3 GLU A 40 -33.567 -3.132 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 40 -34.267 -5.568 -3.022 1.00 0.00 H new ATOM 0 HG3 GLU A 40 -35.512 -4.841 -2.026 1.00 0.00 H new ATOM 630 N PHE A 41 -30.713 -3.986 -2.784 1.00 0.00 N ATOM 631 CA PHE A 41 -29.603 -4.738 -3.435 1.00 0.00 C ATOM 632 C PHE A 41 -28.325 -4.604 -2.606 1.00 0.00 C ATOM 633 O PHE A 41 -27.627 -5.570 -2.361 1.00 0.00 O ATOM 634 CB PHE A 41 -29.438 -4.083 -4.806 1.00 0.00 C ATOM 635 CG PHE A 41 -28.423 -4.848 -5.616 1.00 0.00 C ATOM 636 CD1 PHE A 41 -28.628 -6.204 -5.897 1.00 0.00 C ATOM 637 CD2 PHE A 41 -27.275 -4.201 -6.089 1.00 0.00 C ATOM 638 CE1 PHE A 41 -27.686 -6.912 -6.652 1.00 0.00 C ATOM 639 CE2 PHE A 41 -26.333 -4.909 -6.843 1.00 0.00 C ATOM 640 CZ PHE A 41 -26.539 -6.265 -7.124 1.00 0.00 C ATOM 0 H PHE A 41 -30.563 -2.981 -2.700 1.00 0.00 H new ATOM 0 HA PHE A 41 -29.811 -5.805 -3.521 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -30.395 -4.064 -5.328 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -29.118 -3.048 -4.689 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -29.513 -6.704 -5.531 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -27.117 -3.155 -5.872 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -27.845 -7.958 -6.870 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -25.448 -4.410 -7.208 1.00 0.00 H new ATOM 0 HZ PHE A 41 -25.812 -6.812 -7.706 1.00 0.00 H new ATOM 650 N SER A 42 -28.029 -3.414 -2.160 1.00 0.00 N ATOM 651 CA SER A 42 -26.812 -3.186 -1.321 1.00 0.00 C ATOM 652 C SER A 42 -26.839 -4.110 -0.094 1.00 0.00 C ATOM 653 O SER A 42 -25.813 -4.430 0.475 1.00 0.00 O ATOM 654 CB SER A 42 -26.899 -1.718 -0.898 1.00 0.00 C ATOM 655 OG SER A 42 -27.862 -1.580 0.139 1.00 0.00 O ATOM 0 H SER A 42 -28.584 -2.578 -2.342 1.00 0.00 H new ATOM 0 HA SER A 42 -25.887 -3.400 -1.857 1.00 0.00 H new ATOM 0 HB2 SER A 42 -25.925 -1.369 -0.554 1.00 0.00 H new ATOM 0 HB3 SER A 42 -27.176 -1.098 -1.751 1.00 0.00 H new ATOM 0 HG SER A 42 -27.917 -0.640 0.411 1.00 0.00 H new ATOM 661 N LYS A 43 -28.011 -4.547 0.302 1.00 0.00 N ATOM 662 CA LYS A 43 -28.123 -5.459 1.477 1.00 0.00 C ATOM 663 C LYS A 43 -27.515 -6.822 1.134 1.00 0.00 C ATOM 664 O LYS A 43 -27.000 -7.516 1.991 1.00 0.00 O ATOM 665 CB LYS A 43 -29.628 -5.594 1.738 1.00 0.00 C ATOM 666 CG LYS A 43 -30.033 -4.687 2.901 1.00 0.00 C ATOM 667 CD LYS A 43 -31.292 -5.242 3.569 1.00 0.00 C ATOM 668 CE LYS A 43 -30.911 -6.398 4.496 1.00 0.00 C ATOM 669 NZ LYS A 43 -32.208 -6.953 4.971 1.00 0.00 N ATOM 0 H LYS A 43 -28.897 -4.308 -0.143 1.00 0.00 H new ATOM 0 HA LYS A 43 -27.594 -5.078 2.351 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -30.188 -5.325 0.842 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -29.875 -6.630 1.969 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -29.222 -4.624 3.626 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -30.217 -3.675 2.540 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -31.792 -4.457 4.136 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -31.997 -5.586 2.812 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -30.329 -7.153 3.967 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -30.301 -6.051 5.330 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -32.030 -7.751 5.613 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -32.738 -6.214 5.476 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -32.764 -7.282 4.156 1.00 0.00 H new ATOM 683 N LYS A 44 -27.574 -7.205 -0.116 1.00 0.00 N ATOM 684 CA LYS A 44 -27.004 -8.522 -0.532 1.00 0.00 C ATOM 685 C LYS A 44 -25.515 -8.374 -0.855 1.00 0.00 C ATOM 686 O LYS A 44 -24.708 -9.206 -0.484 1.00 0.00 O ATOM 687 CB LYS A 44 -27.789 -8.913 -1.784 1.00 0.00 C ATOM 688 CG LYS A 44 -27.701 -10.426 -1.992 1.00 0.00 C ATOM 689 CD LYS A 44 -26.473 -10.755 -2.841 1.00 0.00 C ATOM 690 CE LYS A 44 -26.617 -12.161 -3.426 1.00 0.00 C ATOM 691 NZ LYS A 44 -25.767 -12.158 -4.649 1.00 0.00 N ATOM 0 H LYS A 44 -27.994 -6.660 -0.869 1.00 0.00 H new ATOM 0 HA LYS A 44 -27.085 -9.275 0.252 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -28.831 -8.610 -1.682 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -27.389 -8.392 -2.654 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -27.637 -10.933 -1.029 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -28.604 -10.789 -2.483 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -26.367 -10.025 -3.644 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -25.571 -10.694 -2.233 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -26.286 -12.919 -2.717 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -27.656 -12.383 -3.668 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -25.814 -13.091 -5.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -26.110 -11.431 -5.309 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -24.782 -11.950 -4.387 1.00 0.00 H new ATOM 705 N CYS A 45 -25.148 -7.321 -1.543 1.00 0.00 N ATOM 706 CA CYS A 45 -23.708 -7.115 -1.892 1.00 0.00 C ATOM 707 C CYS A 45 -22.868 -6.996 -0.616 1.00 0.00 C ATOM 708 O CYS A 45 -21.700 -7.335 -0.599 1.00 0.00 O ATOM 709 CB CYS A 45 -23.664 -5.809 -2.691 1.00 0.00 C ATOM 710 SG CYS A 45 -24.365 -6.087 -4.337 1.00 0.00 S ATOM 0 H CYS A 45 -25.783 -6.596 -1.878 1.00 0.00 H new ATOM 0 HA CYS A 45 -23.302 -7.949 -2.465 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -24.225 -5.033 -2.171 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -22.636 -5.456 -2.776 1.00 0.00 H new ATOM 0 HG CYS A 45 -25.076 -5.056 -4.686 1.00 0.00 H new ATOM 716 N SER A 46 -23.460 -6.522 0.453 1.00 0.00 N ATOM 717 CA SER A 46 -22.703 -6.387 1.735 1.00 0.00 C ATOM 718 C SER A 46 -22.451 -7.769 2.340 1.00 0.00 C ATOM 719 O SER A 46 -21.462 -7.990 3.014 1.00 0.00 O ATOM 720 CB SER A 46 -23.605 -5.557 2.650 1.00 0.00 C ATOM 721 OG SER A 46 -24.854 -6.218 2.802 1.00 0.00 O ATOM 0 H SER A 46 -24.434 -6.223 0.493 1.00 0.00 H new ATOM 0 HA SER A 46 -21.730 -5.916 1.593 1.00 0.00 H new ATOM 0 HB2 SER A 46 -23.131 -5.422 3.622 1.00 0.00 H new ATOM 0 HB3 SER A 46 -23.755 -4.563 2.228 1.00 0.00 H new ATOM 0 HG SER A 46 -25.435 -5.690 3.389 1.00 0.00 H new ATOM 727 N GLU A 47 -23.339 -8.700 2.098 1.00 0.00 N ATOM 728 CA GLU A 47 -23.157 -10.077 2.652 1.00 0.00 C ATOM 729 C GLU A 47 -22.043 -10.800 1.891 1.00 0.00 C ATOM 730 O GLU A 47 -21.348 -11.636 2.437 1.00 0.00 O ATOM 731 CB GLU A 47 -24.498 -10.779 2.435 1.00 0.00 C ATOM 732 CG GLU A 47 -25.436 -10.457 3.601 1.00 0.00 C ATOM 733 CD GLU A 47 -25.094 -11.350 4.794 1.00 0.00 C ATOM 734 OE1 GLU A 47 -24.127 -11.050 5.475 1.00 0.00 O ATOM 735 OE2 GLU A 47 -25.804 -12.319 5.007 1.00 0.00 O ATOM 0 H GLU A 47 -24.183 -8.566 1.541 1.00 0.00 H new ATOM 0 HA GLU A 47 -22.875 -10.066 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -24.943 -10.453 1.495 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -24.349 -11.856 2.361 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -25.340 -9.408 3.880 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -26.472 -10.614 3.302 1.00 0.00 H new ATOM 742 N ARG A 48 -21.867 -10.477 0.635 1.00 0.00 N ATOM 743 CA ARG A 48 -20.798 -11.134 -0.173 1.00 0.00 C ATOM 744 C ARG A 48 -19.501 -10.325 -0.078 1.00 0.00 C ATOM 745 O ARG A 48 -18.417 -10.875 -0.030 1.00 0.00 O ATOM 746 CB ARG A 48 -21.328 -11.133 -1.608 1.00 0.00 C ATOM 747 CG ARG A 48 -20.581 -12.184 -2.430 1.00 0.00 C ATOM 748 CD ARG A 48 -21.201 -12.276 -3.826 1.00 0.00 C ATOM 749 NE ARG A 48 -20.715 -13.571 -4.378 1.00 0.00 N ATOM 750 CZ ARG A 48 -21.523 -14.330 -5.067 1.00 0.00 C ATOM 751 NH1 ARG A 48 -22.436 -15.035 -4.455 1.00 0.00 N ATOM 752 NH2 ARG A 48 -21.418 -14.386 -6.366 1.00 0.00 N ATOM 0 H ARG A 48 -22.421 -9.783 0.133 1.00 0.00 H new ATOM 0 HA ARG A 48 -20.573 -12.142 0.175 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -22.397 -11.346 -1.612 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -21.197 -10.147 -2.054 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -19.526 -11.920 -2.506 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -20.632 -13.153 -1.933 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -22.290 -12.251 -3.777 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -20.891 -11.439 -4.452 1.00 0.00 H new ATOM 0 HE ARG A 48 -19.751 -13.865 -4.218 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -22.517 -14.992 -3.439 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -23.068 -15.628 -4.993 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -20.704 -13.836 -6.844 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -22.050 -14.979 -6.904 1.00 0.00 H new ATOM 766 N TRP A 49 -19.611 -9.021 -0.048 1.00 0.00 N ATOM 767 CA TRP A 49 -18.392 -8.159 0.047 1.00 0.00 C ATOM 768 C TRP A 49 -17.688 -8.391 1.390 1.00 0.00 C ATOM 769 O TRP A 49 -16.475 -8.388 1.472 1.00 0.00 O ATOM 770 CB TRP A 49 -18.917 -6.719 -0.057 1.00 0.00 C ATOM 771 CG TRP A 49 -17.786 -5.745 0.086 1.00 0.00 C ATOM 772 CD1 TRP A 49 -17.635 -4.881 1.114 1.00 0.00 C ATOM 773 CD2 TRP A 49 -16.654 -5.525 -0.804 1.00 0.00 C ATOM 774 NE1 TRP A 49 -16.484 -4.143 0.913 1.00 0.00 N ATOM 775 CE2 TRP A 49 -15.843 -4.503 -0.256 1.00 0.00 C ATOM 776 CE3 TRP A 49 -16.255 -6.106 -2.022 1.00 0.00 C ATOM 777 CZ2 TRP A 49 -14.679 -4.073 -0.892 1.00 0.00 C ATOM 778 CZ3 TRP A 49 -15.083 -5.675 -2.665 1.00 0.00 C ATOM 779 CH2 TRP A 49 -14.296 -4.661 -2.100 1.00 0.00 C ATOM 0 H TRP A 49 -20.495 -8.514 -0.085 1.00 0.00 H new ATOM 0 HA TRP A 49 -17.662 -8.379 -0.732 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -19.413 -6.573 -1.017 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -19.662 -6.539 0.718 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -18.305 -4.783 1.956 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -16.149 -3.421 1.550 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -16.854 -6.888 -2.465 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -14.077 -3.290 -0.454 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -14.786 -6.127 -3.600 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -13.395 -4.335 -2.598 1.00 0.00 H new ATOM 790 N LYS A 50 -18.445 -8.584 2.439 1.00 0.00 N ATOM 791 CA LYS A 50 -17.830 -8.809 3.783 1.00 0.00 C ATOM 792 C LYS A 50 -17.360 -10.260 3.925 1.00 0.00 C ATOM 793 O LYS A 50 -16.471 -10.555 4.703 1.00 0.00 O ATOM 794 CB LYS A 50 -18.943 -8.500 4.784 1.00 0.00 C ATOM 795 CG LYS A 50 -19.041 -6.985 4.983 1.00 0.00 C ATOM 796 CD LYS A 50 -19.942 -6.683 6.182 1.00 0.00 C ATOM 797 CE LYS A 50 -19.277 -7.191 7.462 1.00 0.00 C ATOM 798 NZ LYS A 50 -19.906 -6.405 8.560 1.00 0.00 N ATOM 0 H LYS A 50 -19.465 -8.596 2.424 1.00 0.00 H new ATOM 0 HA LYS A 50 -16.952 -8.182 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -19.893 -8.893 4.421 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -18.738 -8.990 5.736 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -18.049 -6.564 5.146 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -19.443 -6.515 4.085 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -20.122 -5.610 6.254 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -20.913 -7.161 6.050 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -19.443 -8.260 7.596 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -18.198 -7.037 7.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -19.501 -6.697 9.472 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -19.725 -5.392 8.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -20.932 -6.576 8.566 1.00 0.00 H new ATOM 812 N THR A 51 -17.949 -11.167 3.184 1.00 0.00 N ATOM 813 CA THR A 51 -17.535 -12.600 3.277 1.00 0.00 C ATOM 814 C THR A 51 -16.491 -12.933 2.204 1.00 0.00 C ATOM 815 O THR A 51 -15.743 -13.885 2.334 1.00 0.00 O ATOM 816 CB THR A 51 -18.818 -13.399 3.043 1.00 0.00 C ATOM 817 OG1 THR A 51 -19.384 -13.025 1.795 1.00 0.00 O ATOM 818 CG2 THR A 51 -19.813 -13.112 4.166 1.00 0.00 C ATOM 0 H THR A 51 -18.698 -10.976 2.519 1.00 0.00 H new ATOM 0 HA THR A 51 -17.077 -12.831 4.239 1.00 0.00 H new ATOM 0 HB THR A 51 -18.587 -14.464 3.033 1.00 0.00 H new ATOM 0 HG1 THR A 51 -20.356 -12.940 1.889 1.00 0.00 H new ATOM 0 HG21 THR A 51 -20.726 -13.682 3.997 1.00 0.00 H new ATOM 0 HG22 THR A 51 -19.376 -13.401 5.122 1.00 0.00 H new ATOM 0 HG23 THR A 51 -20.047 -12.048 4.181 1.00 0.00 H new ATOM 826 N MET A 52 -16.434 -12.161 1.145 1.00 0.00 N ATOM 827 CA MET A 52 -15.436 -12.436 0.060 1.00 0.00 C ATOM 828 C MET A 52 -14.013 -12.428 0.629 1.00 0.00 C ATOM 829 O MET A 52 -13.781 -11.977 1.735 1.00 0.00 O ATOM 830 CB MET A 52 -15.613 -11.301 -0.952 1.00 0.00 C ATOM 831 CG MET A 52 -16.672 -11.696 -1.982 1.00 0.00 C ATOM 832 SD MET A 52 -17.392 -10.203 -2.710 1.00 0.00 S ATOM 833 CE MET A 52 -15.950 -9.709 -3.686 1.00 0.00 C ATOM 0 H MET A 52 -17.035 -11.352 0.984 1.00 0.00 H new ATOM 0 HA MET A 52 -15.591 -13.414 -0.396 1.00 0.00 H new ATOM 0 HB2 MET A 52 -15.912 -10.386 -0.440 1.00 0.00 H new ATOM 0 HB3 MET A 52 -14.666 -11.093 -1.450 1.00 0.00 H new ATOM 0 HG2 MET A 52 -16.225 -12.314 -2.761 1.00 0.00 H new ATOM 0 HG3 MET A 52 -17.450 -12.294 -1.508 1.00 0.00 H new ATOM 0 HE1 MET A 52 -15.913 -8.622 -3.756 1.00 0.00 H new ATOM 0 HE2 MET A 52 -15.043 -10.073 -3.204 1.00 0.00 H new ATOM 0 HE3 MET A 52 -16.025 -10.135 -4.687 1.00 0.00 H new ATOM 843 N SER A 53 -13.063 -12.926 -0.122 1.00 0.00 N ATOM 844 CA SER A 53 -11.651 -12.954 0.367 1.00 0.00 C ATOM 845 C SER A 53 -10.828 -11.861 -0.319 1.00 0.00 C ATOM 846 O SER A 53 -11.362 -10.990 -0.979 1.00 0.00 O ATOM 847 CB SER A 53 -11.129 -14.337 -0.016 1.00 0.00 C ATOM 848 OG SER A 53 -9.919 -14.593 0.686 1.00 0.00 O ATOM 0 H SER A 53 -13.205 -13.315 -1.054 1.00 0.00 H new ATOM 0 HA SER A 53 -11.583 -12.773 1.440 1.00 0.00 H new ATOM 0 HB2 SER A 53 -11.871 -15.098 0.225 1.00 0.00 H new ATOM 0 HB3 SER A 53 -10.957 -14.389 -1.091 1.00 0.00 H new ATOM 0 HG SER A 53 -9.582 -15.481 0.444 1.00 0.00 H new ATOM 854 N ALA A 54 -9.529 -11.905 -0.166 1.00 0.00 N ATOM 855 CA ALA A 54 -8.656 -10.873 -0.805 1.00 0.00 C ATOM 856 C ALA A 54 -8.488 -11.143 -2.309 1.00 0.00 C ATOM 857 O ALA A 54 -7.943 -10.326 -3.027 1.00 0.00 O ATOM 858 CB ALA A 54 -7.308 -10.994 -0.089 1.00 0.00 C ATOM 0 H ALA A 54 -9.034 -12.613 0.376 1.00 0.00 H new ATOM 0 HA ALA A 54 -9.085 -9.875 -0.717 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -6.610 -10.267 -0.503 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -7.443 -10.803 0.976 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -6.910 -11.999 -0.229 1.00 0.00 H new ATOM 864 N LYS A 55 -8.951 -12.274 -2.792 1.00 0.00 N ATOM 865 CA LYS A 55 -8.812 -12.578 -4.250 1.00 0.00 C ATOM 866 C LYS A 55 -9.814 -11.744 -5.051 1.00 0.00 C ATOM 867 O LYS A 55 -9.567 -11.377 -6.184 1.00 0.00 O ATOM 868 CB LYS A 55 -9.127 -14.069 -4.384 1.00 0.00 C ATOM 869 CG LYS A 55 -7.881 -14.887 -4.037 1.00 0.00 C ATOM 870 CD LYS A 55 -8.176 -16.375 -4.236 1.00 0.00 C ATOM 871 CE LYS A 55 -6.860 -17.153 -4.292 1.00 0.00 C ATOM 872 NZ LYS A 55 -7.222 -18.479 -4.866 1.00 0.00 N ATOM 0 H LYS A 55 -9.417 -12.995 -2.241 1.00 0.00 H new ATOM 0 HA LYS A 55 -7.818 -12.342 -4.629 1.00 0.00 H new ATOM 0 HB2 LYS A 55 -9.949 -14.339 -3.721 1.00 0.00 H new ATOM 0 HB3 LYS A 55 -9.451 -14.293 -5.400 1.00 0.00 H new ATOM 0 HG2 LYS A 55 -7.046 -14.583 -4.668 1.00 0.00 H new ATOM 0 HG3 LYS A 55 -7.585 -14.699 -3.005 1.00 0.00 H new ATOM 0 HD2 LYS A 55 -8.796 -16.746 -3.420 1.00 0.00 H new ATOM 0 HD3 LYS A 55 -8.739 -16.525 -5.157 1.00 0.00 H new ATOM 0 HE2 LYS A 55 -6.125 -16.641 -4.913 1.00 0.00 H new ATOM 0 HE3 LYS A 55 -6.421 -17.259 -3.300 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 -6.370 -19.071 -4.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 -7.918 -18.946 -4.250 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 -7.631 -18.347 -5.813 1.00 0.00 H new ATOM 886 N GLU A 56 -10.942 -11.442 -4.461 1.00 0.00 N ATOM 887 CA GLU A 56 -11.972 -10.628 -5.169 1.00 0.00 C ATOM 888 C GLU A 56 -11.932 -9.183 -4.665 1.00 0.00 C ATOM 889 O GLU A 56 -12.104 -8.247 -5.423 1.00 0.00 O ATOM 890 CB GLU A 56 -13.303 -11.286 -4.811 1.00 0.00 C ATOM 891 CG GLU A 56 -13.350 -12.695 -5.402 1.00 0.00 C ATOM 892 CD GLU A 56 -14.808 -13.122 -5.591 1.00 0.00 C ATOM 893 OE1 GLU A 56 -15.408 -13.555 -4.621 1.00 0.00 O ATOM 894 OE2 GLU A 56 -15.298 -13.008 -6.702 1.00 0.00 O ATOM 0 H GLU A 56 -11.194 -11.726 -3.514 1.00 0.00 H new ATOM 0 HA GLU A 56 -11.811 -10.594 -6.247 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -13.419 -11.330 -3.728 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -14.131 -10.691 -5.197 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -12.827 -12.717 -6.358 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -12.838 -13.395 -4.742 1.00 0.00 H new ATOM 901 N LYS A 57 -11.701 -9.002 -3.391 1.00 0.00 N ATOM 902 CA LYS A 57 -11.642 -7.620 -2.822 1.00 0.00 C ATOM 903 C LYS A 57 -10.412 -6.879 -3.356 1.00 0.00 C ATOM 904 O LYS A 57 -10.395 -5.665 -3.434 1.00 0.00 O ATOM 905 CB LYS A 57 -11.534 -7.813 -1.307 1.00 0.00 C ATOM 906 CG LYS A 57 -12.931 -7.767 -0.685 1.00 0.00 C ATOM 907 CD LYS A 57 -12.812 -7.815 0.840 1.00 0.00 C ATOM 908 CE LYS A 57 -12.497 -6.416 1.373 1.00 0.00 C ATOM 909 NZ LYS A 57 -11.931 -6.641 2.732 1.00 0.00 N ATOM 0 H LYS A 57 -11.550 -9.753 -2.717 1.00 0.00 H new ATOM 0 HA LYS A 57 -12.515 -7.027 -3.095 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -11.057 -8.767 -1.085 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -10.906 -7.034 -0.874 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -13.448 -6.858 -0.992 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -13.527 -8.607 -1.041 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -13.741 -8.181 1.276 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -12.027 -8.512 1.132 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -11.785 -5.899 0.729 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -13.394 -5.799 1.416 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -11.690 -5.726 3.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -12.633 -7.128 3.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -11.074 -7.226 2.659 1.00 0.00 H new ATOM 923 N SER A 58 -9.383 -7.603 -3.721 1.00 0.00 N ATOM 924 CA SER A 58 -8.147 -6.944 -4.250 1.00 0.00 C ATOM 925 C SER A 58 -8.450 -6.230 -5.570 1.00 0.00 C ATOM 926 O SER A 58 -7.861 -5.212 -5.883 1.00 0.00 O ATOM 927 CB SER A 58 -7.147 -8.080 -4.475 1.00 0.00 C ATOM 928 OG SER A 58 -7.780 -9.123 -5.203 1.00 0.00 O ATOM 0 H SER A 58 -9.345 -8.621 -3.676 1.00 0.00 H new ATOM 0 HA SER A 58 -7.759 -6.193 -3.562 1.00 0.00 H new ATOM 0 HB2 SER A 58 -6.279 -7.713 -5.023 1.00 0.00 H new ATOM 0 HB3 SER A 58 -6.785 -8.456 -3.518 1.00 0.00 H new ATOM 0 HG SER A 58 -7.810 -9.934 -4.653 1.00 0.00 H new ATOM 934 N LYS A 59 -9.365 -6.757 -6.344 1.00 0.00 N ATOM 935 CA LYS A 59 -9.712 -6.113 -7.648 1.00 0.00 C ATOM 936 C LYS A 59 -10.426 -4.780 -7.405 1.00 0.00 C ATOM 937 O LYS A 59 -10.340 -3.866 -8.203 1.00 0.00 O ATOM 938 CB LYS A 59 -10.646 -7.100 -8.352 1.00 0.00 C ATOM 939 CG LYS A 59 -10.806 -6.695 -9.818 1.00 0.00 C ATOM 940 CD LYS A 59 -11.785 -7.648 -10.507 1.00 0.00 C ATOM 941 CE LYS A 59 -12.184 -7.074 -11.868 1.00 0.00 C ATOM 942 NZ LYS A 59 -10.993 -7.283 -12.738 1.00 0.00 N ATOM 0 H LYS A 59 -9.887 -7.606 -6.129 1.00 0.00 H new ATOM 0 HA LYS A 59 -8.827 -5.898 -8.246 1.00 0.00 H new ATOM 0 HB2 LYS A 59 -10.242 -8.110 -8.285 1.00 0.00 H new ATOM 0 HB3 LYS A 59 -11.618 -7.112 -7.859 1.00 0.00 H new ATOM 0 HG2 LYS A 59 -11.171 -5.670 -9.885 1.00 0.00 H new ATOM 0 HG3 LYS A 59 -9.840 -6.723 -10.322 1.00 0.00 H new ATOM 0 HD2 LYS A 59 -11.326 -8.628 -10.634 1.00 0.00 H new ATOM 0 HD3 LYS A 59 -12.670 -7.789 -9.886 1.00 0.00 H new ATOM 0 HE2 LYS A 59 -13.060 -7.583 -12.269 1.00 0.00 H new ATOM 0 HE3 LYS A 59 -12.437 -6.016 -11.792 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 -10.640 -6.363 -13.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 -10.247 -7.765 -12.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 -11.259 -7.868 -13.556 1.00 0.00 H new ATOM 956 N PHE A 60 -11.129 -4.667 -6.307 1.00 0.00 N ATOM 957 CA PHE A 60 -11.853 -3.397 -6.002 1.00 0.00 C ATOM 958 C PHE A 60 -10.986 -2.493 -5.121 1.00 0.00 C ATOM 959 O PHE A 60 -11.095 -1.281 -5.165 1.00 0.00 O ATOM 960 CB PHE A 60 -13.112 -3.830 -5.251 1.00 0.00 C ATOM 961 CG PHE A 60 -14.097 -4.433 -6.224 1.00 0.00 C ATOM 962 CD1 PHE A 60 -14.021 -5.793 -6.546 1.00 0.00 C ATOM 963 CD2 PHE A 60 -15.087 -3.631 -6.805 1.00 0.00 C ATOM 964 CE1 PHE A 60 -14.934 -6.352 -7.447 1.00 0.00 C ATOM 965 CE2 PHE A 60 -16.000 -4.190 -7.707 1.00 0.00 C ATOM 966 CZ PHE A 60 -15.923 -5.550 -8.028 1.00 0.00 C ATOM 0 H PHE A 60 -11.233 -5.402 -5.607 1.00 0.00 H new ATOM 0 HA PHE A 60 -12.090 -2.830 -6.902 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -12.856 -4.556 -4.479 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -13.560 -2.974 -4.747 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -13.257 -6.411 -6.099 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -15.146 -2.581 -6.557 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -14.876 -7.402 -7.694 1.00 0.00 H new ATOM 0 HE2 PHE A 60 -16.764 -3.572 -8.155 1.00 0.00 H new ATOM 0 HZ PHE A 60 -16.627 -5.981 -8.724 1.00 0.00 H new ATOM 976 N GLU A 61 -10.127 -3.075 -4.323 1.00 0.00 N ATOM 977 CA GLU A 61 -9.247 -2.255 -3.434 1.00 0.00 C ATOM 978 C GLU A 61 -8.163 -1.559 -4.261 1.00 0.00 C ATOM 979 O GLU A 61 -7.686 -0.498 -3.907 1.00 0.00 O ATOM 980 CB GLU A 61 -8.619 -3.252 -2.458 1.00 0.00 C ATOM 981 CG GLU A 61 -9.616 -3.573 -1.343 1.00 0.00 C ATOM 982 CD GLU A 61 -9.685 -2.398 -0.366 1.00 0.00 C ATOM 983 OE1 GLU A 61 -10.394 -1.450 -0.657 1.00 0.00 O ATOM 984 OE2 GLU A 61 -9.026 -2.466 0.659 1.00 0.00 O ATOM 0 H GLU A 61 -9.996 -4.084 -4.248 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.802 -1.475 -2.914 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -8.339 -4.165 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -7.705 -2.836 -2.034 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -10.602 -3.766 -1.766 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -9.312 -4.479 -0.818 1.00 0.00 H new ATOM 991 N ASP A 62 -7.773 -2.151 -5.362 1.00 0.00 N ATOM 992 CA ASP A 62 -6.719 -1.530 -6.221 1.00 0.00 C ATOM 993 C ASP A 62 -7.320 -0.395 -7.056 1.00 0.00 C ATOM 994 O ASP A 62 -6.642 0.552 -7.409 1.00 0.00 O ATOM 995 CB ASP A 62 -6.224 -2.659 -7.127 1.00 0.00 C ATOM 996 CG ASP A 62 -4.871 -2.276 -7.729 1.00 0.00 C ATOM 997 OD1 ASP A 62 -4.836 -1.339 -8.509 1.00 0.00 O ATOM 998 OD2 ASP A 62 -3.893 -2.927 -7.399 1.00 0.00 O ATOM 0 H ASP A 62 -8.140 -3.039 -5.704 1.00 0.00 H new ATOM 0 HA ASP A 62 -5.909 -1.098 -5.632 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -6.131 -3.583 -6.556 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.947 -2.846 -7.921 1.00 0.00 H new ATOM 1003 N MET A 63 -8.587 -0.487 -7.371 1.00 0.00 N ATOM 1004 CA MET A 63 -9.242 0.584 -8.183 1.00 0.00 C ATOM 1005 C MET A 63 -9.628 1.764 -7.287 1.00 0.00 C ATOM 1006 O MET A 63 -9.675 2.898 -7.728 1.00 0.00 O ATOM 1007 CB MET A 63 -10.491 -0.072 -8.773 1.00 0.00 C ATOM 1008 CG MET A 63 -10.085 -1.015 -9.908 1.00 0.00 C ATOM 1009 SD MET A 63 -9.614 -0.043 -11.360 1.00 0.00 S ATOM 1010 CE MET A 63 -8.400 -1.209 -12.028 1.00 0.00 C ATOM 0 H MET A 63 -9.197 -1.258 -7.101 1.00 0.00 H new ATOM 0 HA MET A 63 -8.583 0.975 -8.958 1.00 0.00 H new ATOM 0 HB2 MET A 63 -11.024 -0.625 -8.000 1.00 0.00 H new ATOM 0 HB3 MET A 63 -11.174 0.691 -9.147 1.00 0.00 H new ATOM 0 HG2 MET A 63 -9.253 -1.644 -9.592 1.00 0.00 H new ATOM 0 HG3 MET A 63 -10.912 -1.681 -10.155 1.00 0.00 H new ATOM 0 HE1 MET A 63 -7.973 -0.804 -12.945 1.00 0.00 H new ATOM 0 HE2 MET A 63 -7.607 -1.367 -11.297 1.00 0.00 H new ATOM 0 HE3 MET A 63 -8.889 -2.159 -12.244 1.00 0.00 H new ATOM 1020 N ALA A 64 -9.901 1.504 -6.034 1.00 0.00 N ATOM 1021 CA ALA A 64 -10.284 2.608 -5.100 1.00 0.00 C ATOM 1022 C ALA A 64 -9.051 3.435 -4.729 1.00 0.00 C ATOM 1023 O ALA A 64 -9.105 4.649 -4.664 1.00 0.00 O ATOM 1024 CB ALA A 64 -10.854 1.909 -3.864 1.00 0.00 C ATOM 0 H ALA A 64 -9.875 0.574 -5.616 1.00 0.00 H new ATOM 0 HA ALA A 64 -11.005 3.293 -5.546 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -11.158 2.656 -3.131 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -11.718 1.310 -4.151 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -10.093 1.262 -3.428 1.00 0.00 H new ATOM 1030 N LYS A 65 -7.941 2.784 -4.486 1.00 0.00 N ATOM 1031 CA LYS A 65 -6.696 3.526 -4.119 1.00 0.00 C ATOM 1032 C LYS A 65 -6.234 4.391 -5.295 1.00 0.00 C ATOM 1033 O LYS A 65 -5.642 5.438 -5.109 1.00 0.00 O ATOM 1034 CB LYS A 65 -5.658 2.446 -3.809 1.00 0.00 C ATOM 1035 CG LYS A 65 -4.459 3.078 -3.099 1.00 0.00 C ATOM 1036 CD LYS A 65 -4.802 3.311 -1.627 1.00 0.00 C ATOM 1037 CE LYS A 65 -3.583 3.893 -0.905 1.00 0.00 C ATOM 1038 NZ LYS A 65 -2.732 2.714 -0.578 1.00 0.00 N ATOM 0 H LYS A 65 -7.843 1.769 -4.526 1.00 0.00 H new ATOM 0 HA LYS A 65 -6.850 4.193 -3.271 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -6.099 1.672 -3.181 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -5.335 1.962 -4.731 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -3.589 2.427 -3.182 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -4.197 4.022 -3.576 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -5.648 3.993 -1.543 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -5.102 2.373 -1.159 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -3.050 4.602 -1.539 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -3.877 4.430 -0.003 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -2.675 2.603 0.454 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -3.149 1.858 -0.996 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -1.777 2.858 -0.964 1.00 0.00 H new ATOM 1052 N SER A 66 -6.503 3.959 -6.501 1.00 0.00 N ATOM 1053 CA SER A 66 -6.083 4.753 -7.697 1.00 0.00 C ATOM 1054 C SER A 66 -6.794 6.108 -7.704 1.00 0.00 C ATOM 1055 O SER A 66 -6.222 7.116 -8.075 1.00 0.00 O ATOM 1056 CB SER A 66 -6.508 3.919 -8.906 1.00 0.00 C ATOM 1057 OG SER A 66 -6.006 4.521 -10.092 1.00 0.00 O ATOM 0 H SER A 66 -6.995 3.091 -6.710 1.00 0.00 H new ATOM 0 HA SER A 66 -5.011 4.953 -7.702 1.00 0.00 H new ATOM 0 HB2 SER A 66 -6.128 2.902 -8.812 1.00 0.00 H new ATOM 0 HB3 SER A 66 -7.595 3.851 -8.951 1.00 0.00 H new ATOM 0 HG SER A 66 -6.275 3.988 -10.869 1.00 0.00 H new ATOM 1063 N ASP A 67 -8.037 6.136 -7.296 1.00 0.00 N ATOM 1064 CA ASP A 67 -8.796 7.423 -7.273 1.00 0.00 C ATOM 1065 C ASP A 67 -8.557 8.151 -5.947 1.00 0.00 C ATOM 1066 O ASP A 67 -8.544 9.367 -5.892 1.00 0.00 O ATOM 1067 CB ASP A 67 -10.264 7.018 -7.407 1.00 0.00 C ATOM 1068 CG ASP A 67 -11.095 8.239 -7.807 1.00 0.00 C ATOM 1069 OD1 ASP A 67 -11.552 8.938 -6.918 1.00 0.00 O ATOM 1070 OD2 ASP A 67 -11.261 8.452 -8.997 1.00 0.00 O ATOM 0 H ASP A 67 -8.560 5.321 -6.977 1.00 0.00 H new ATOM 0 HA ASP A 67 -8.487 8.101 -8.068 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -10.369 6.232 -8.155 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -10.628 6.610 -6.464 1.00 0.00 H new ATOM 1075 N LYS A 68 -8.367 7.414 -4.883 1.00 0.00 N ATOM 1076 CA LYS A 68 -8.127 8.057 -3.553 1.00 0.00 C ATOM 1077 C LYS A 68 -6.801 8.824 -3.571 1.00 0.00 C ATOM 1078 O LYS A 68 -6.634 9.804 -2.870 1.00 0.00 O ATOM 1079 CB LYS A 68 -8.062 6.901 -2.552 1.00 0.00 C ATOM 1080 CG LYS A 68 -8.630 7.357 -1.206 1.00 0.00 C ATOM 1081 CD LYS A 68 -8.021 6.517 -0.081 1.00 0.00 C ATOM 1082 CE LYS A 68 -6.832 7.263 0.531 1.00 0.00 C ATOM 1083 NZ LYS A 68 -5.814 7.319 -0.554 1.00 0.00 N ATOM 0 H LYS A 68 -8.367 6.394 -4.876 1.00 0.00 H new ATOM 0 HA LYS A 68 -8.908 8.772 -3.296 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -8.628 6.049 -2.928 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -7.031 6.570 -2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -8.410 8.412 -1.046 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -9.715 7.254 -1.204 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -8.771 6.317 0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -7.697 5.551 -0.469 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -7.118 8.263 0.856 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -6.447 6.741 1.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -4.885 7.546 -0.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -5.766 6.397 -1.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -6.079 8.053 -1.242 1.00 0.00 H new ATOM 1097 N ALA A 69 -5.863 8.381 -4.367 1.00 0.00 N ATOM 1098 CA ALA A 69 -4.542 9.078 -4.440 1.00 0.00 C ATOM 1099 C ALA A 69 -4.630 10.291 -5.373 1.00 0.00 C ATOM 1100 O ALA A 69 -3.874 11.236 -5.243 1.00 0.00 O ATOM 1101 CB ALA A 69 -3.575 8.037 -5.003 1.00 0.00 C ATOM 0 H ALA A 69 -5.954 7.565 -4.972 1.00 0.00 H new ATOM 0 HA ALA A 69 -4.219 9.451 -3.468 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -2.580 8.473 -5.087 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -3.539 7.176 -4.336 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -3.916 7.719 -5.988 1.00 0.00 H new ATOM 1107 N ARG A 70 -5.543 10.269 -6.311 1.00 0.00 N ATOM 1108 CA ARG A 70 -5.682 11.419 -7.255 1.00 0.00 C ATOM 1109 C ARG A 70 -6.810 12.352 -6.805 1.00 0.00 C ATOM 1110 O ARG A 70 -7.386 13.068 -7.602 1.00 0.00 O ATOM 1111 CB ARG A 70 -6.024 10.781 -8.601 1.00 0.00 C ATOM 1112 CG ARG A 70 -5.919 11.831 -9.707 1.00 0.00 C ATOM 1113 CD ARG A 70 -5.817 11.133 -11.066 1.00 0.00 C ATOM 1114 NE ARG A 70 -4.394 10.707 -11.174 1.00 0.00 N ATOM 1115 CZ ARG A 70 -4.061 9.474 -10.907 1.00 0.00 C ATOM 1116 NH1 ARG A 70 -4.417 8.513 -11.715 1.00 0.00 N ATOM 1117 NH2 ARG A 70 -3.371 9.202 -9.834 1.00 0.00 N ATOM 0 H ARG A 70 -6.199 9.503 -6.464 1.00 0.00 H new ATOM 0 HA ARG A 70 -4.776 12.023 -7.302 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -5.345 9.953 -8.806 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.032 10.367 -8.573 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -6.791 12.485 -9.687 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -5.045 12.461 -9.543 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -6.490 10.278 -11.122 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.090 11.807 -11.878 1.00 0.00 H new ATOM 0 HE ARG A 70 -3.680 11.379 -11.456 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.955 8.726 -12.555 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -4.157 7.549 -11.507 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -3.092 9.953 -9.203 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -3.111 8.238 -9.626 1.00 0.00 H new ATOM 1131 N TYR A 71 -7.131 12.348 -5.535 1.00 0.00 N ATOM 1132 CA TYR A 71 -8.223 13.234 -5.030 1.00 0.00 C ATOM 1133 C TYR A 71 -7.837 13.830 -3.672 1.00 0.00 C ATOM 1134 O TYR A 71 -8.682 14.089 -2.838 1.00 0.00 O ATOM 1135 CB TYR A 71 -9.441 12.319 -4.888 1.00 0.00 C ATOM 1136 CG TYR A 71 -10.684 13.053 -5.330 1.00 0.00 C ATOM 1137 CD1 TYR A 71 -11.254 14.027 -4.502 1.00 0.00 C ATOM 1138 CD2 TYR A 71 -11.267 12.761 -6.569 1.00 0.00 C ATOM 1139 CE1 TYR A 71 -12.406 14.709 -4.912 1.00 0.00 C ATOM 1140 CE2 TYR A 71 -12.419 13.441 -6.979 1.00 0.00 C ATOM 1141 CZ TYR A 71 -12.989 14.416 -6.150 1.00 0.00 C ATOM 1142 OH TYR A 71 -14.124 15.087 -6.555 1.00 0.00 O ATOM 0 H TYR A 71 -6.683 11.768 -4.826 1.00 0.00 H new ATOM 0 HA TYR A 71 -8.418 14.072 -5.700 1.00 0.00 H new ATOM 0 HB2 TYR A 71 -9.305 11.420 -5.489 1.00 0.00 H new ATOM 0 HB3 TYR A 71 -9.547 11.996 -3.852 1.00 0.00 H new ATOM 0 HD1 TYR A 71 -10.805 14.253 -3.546 1.00 0.00 H new ATOM 0 HD2 TYR A 71 -10.827 12.010 -7.209 1.00 0.00 H new ATOM 0 HE1 TYR A 71 -12.845 15.461 -4.273 1.00 0.00 H new ATOM 0 HE2 TYR A 71 -12.869 13.214 -7.934 1.00 0.00 H new ATOM 0 HH TYR A 71 -14.397 14.764 -7.439 1.00 0.00 H new