USER MOD reduce.3.24.130724 H: found=0, std=0, add=765, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 766 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 16 GLN : amide:sc= 0.171 X(o=0.17,f=-0.02) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 MET CE :methyl -175:sc= -1.24 (180deg=-1.37) USER MOD Single : A 24 GLN : amide:sc= 0 X(o=0,f=-0.15) USER MOD Single : A 25 GLN : amide:sc= -0.233 X(o=-0.23,f=-0.0095) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -173:sc= 0.325 (180deg=0.319) USER MOD Single : A 37 THR OG1 : rot 8:sc= 0.109 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 49 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot -48:sc= 0.196 USER MOD Single : A 59 THR OG1 : rot 145:sc= 0.315 USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot -59:sc= 0.249 USER MOD Single : A 71 ASN : amide:sc= 0.47 K(o=0.47,f=-1) USER MOD Single : A 74 LYS NZ :NH3+ 173:sc= -1.47! (180deg=-1.65) USER MOD Single : A 79 THR OG1 : rot 78:sc= 0.451 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 ASN : amide:sc= 1.29 K(o=1.3,f=0) USER MOD Single : A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 TYR OH : rot 180:sc= -0.0279 USER MOD Single : A 99 LYS NZ :NH3+ 139:sc= 0.878 (180deg=0.28) USER MOD ----------------------------------------------------------------- ATOM 176 N GLU A 12 -9.328 -0.459 3.380 1.00 0.00 N ATOM 177 CA GLU A 12 -8.208 0.337 3.890 1.00 0.00 C ATOM 178 C GLU A 12 -7.765 -0.137 5.293 1.00 0.00 C ATOM 179 O GLU A 12 -6.713 -0.748 5.427 1.00 0.00 O ATOM 180 CB GLU A 12 -8.732 1.785 3.908 1.00 0.00 C ATOM 181 CG GLU A 12 -9.051 2.325 2.494 1.00 0.00 C ATOM 182 CD GLU A 12 -10.057 3.481 2.488 1.00 0.00 C ATOM 183 OE1 GLU A 12 -10.713 3.714 3.527 1.00 0.00 O ATOM 184 OE2 GLU A 12 -10.358 4.018 1.396 1.00 0.00 O ATOM 0 HA GLU A 12 -7.318 0.239 3.268 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -9.631 1.833 4.522 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -7.990 2.429 4.379 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -8.125 2.658 2.025 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -9.443 1.511 1.884 1.00 0.00 H new ATOM 191 N SER A 13 -8.532 0.124 6.349 1.00 0.00 N ATOM 192 CA SER A 13 -8.153 -0.140 7.738 1.00 0.00 C ATOM 193 C SER A 13 -7.982 -1.646 8.012 1.00 0.00 C ATOM 194 O SER A 13 -7.242 -2.012 8.926 1.00 0.00 O ATOM 195 CB SER A 13 -9.245 0.524 8.602 1.00 0.00 C ATOM 196 OG SER A 13 -9.265 0.181 9.971 1.00 0.00 O ATOM 0 H SER A 13 -9.461 0.537 6.261 1.00 0.00 H new ATOM 0 HA SER A 13 -7.176 0.279 7.979 1.00 0.00 H new ATOM 0 HB2 SER A 13 -9.131 1.605 8.524 1.00 0.00 H new ATOM 0 HB3 SER A 13 -10.216 0.274 8.174 1.00 0.00 H new ATOM 0 HG SER A 13 -9.994 0.660 10.418 1.00 0.00 H new ATOM 202 N GLU A 14 -8.625 -2.508 7.221 1.00 0.00 N ATOM 203 CA GLU A 14 -8.412 -3.953 7.210 1.00 0.00 C ATOM 204 C GLU A 14 -6.988 -4.242 6.703 1.00 0.00 C ATOM 205 O GLU A 14 -6.165 -4.875 7.363 1.00 0.00 O ATOM 206 CB GLU A 14 -9.498 -4.581 6.298 1.00 0.00 C ATOM 207 CG GLU A 14 -10.733 -5.096 7.044 1.00 0.00 C ATOM 208 CD GLU A 14 -10.475 -6.490 7.605 1.00 0.00 C ATOM 209 OE1 GLU A 14 -10.468 -7.463 6.822 1.00 0.00 O ATOM 210 OE2 GLU A 14 -10.250 -6.608 8.830 1.00 0.00 O ATOM 0 H GLU A 14 -9.331 -2.207 6.549 1.00 0.00 H new ATOM 0 HA GLU A 14 -8.499 -4.387 8.206 1.00 0.00 H new ATOM 0 HB2 GLU A 14 -9.815 -3.838 5.566 1.00 0.00 H new ATOM 0 HB3 GLU A 14 -9.054 -5.407 5.742 1.00 0.00 H new ATOM 0 HG2 GLU A 14 -10.987 -4.413 7.854 1.00 0.00 H new ATOM 0 HG3 GLU A 14 -11.588 -5.122 6.369 1.00 0.00 H new ATOM 217 N ILE A 15 -6.691 -3.759 5.503 1.00 0.00 N ATOM 218 CA ILE A 15 -5.474 -4.030 4.756 1.00 0.00 C ATOM 219 C ILE A 15 -4.258 -3.377 5.413 1.00 0.00 C ATOM 220 O ILE A 15 -3.158 -3.912 5.292 1.00 0.00 O ATOM 221 CB ILE A 15 -5.716 -3.569 3.305 1.00 0.00 C ATOM 222 CG1 ILE A 15 -6.713 -4.547 2.645 1.00 0.00 C ATOM 223 CG2 ILE A 15 -4.423 -3.470 2.489 1.00 0.00 C ATOM 224 CD1 ILE A 15 -7.308 -3.991 1.353 1.00 0.00 C ATOM 0 H ILE A 15 -7.325 -3.137 5.002 1.00 0.00 H new ATOM 0 HA ILE A 15 -5.242 -5.095 4.753 1.00 0.00 H new ATOM 0 HB ILE A 15 -6.129 -2.561 3.327 1.00 0.00 H new ATOM 0 HG12 ILE A 15 -6.207 -5.489 2.432 1.00 0.00 H new ATOM 0 HG13 ILE A 15 -7.518 -4.769 3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 15 -4.656 -3.141 1.476 1.00 0.00 H new ATOM 0 HG22 ILE A 15 -3.751 -2.752 2.958 1.00 0.00 H new ATOM 0 HG23 ILE A 15 -3.941 -4.447 2.451 1.00 0.00 H new ATOM 0 HD11 ILE A 15 -8.002 -4.717 0.930 1.00 0.00 H new ATOM 0 HD12 ILE A 15 -7.839 -3.064 1.567 1.00 0.00 H new ATOM 0 HD13 ILE A 15 -6.508 -3.795 0.639 1.00 0.00 H new ATOM 236 N GLN A 16 -4.440 -2.265 6.125 1.00 0.00 N ATOM 237 CA GLN A 16 -3.404 -1.602 6.902 1.00 0.00 C ATOM 238 C GLN A 16 -2.694 -2.589 7.839 1.00 0.00 C ATOM 239 O GLN A 16 -1.474 -2.533 7.988 1.00 0.00 O ATOM 240 CB GLN A 16 -4.052 -0.425 7.661 1.00 0.00 C ATOM 241 CG GLN A 16 -3.038 0.656 8.055 1.00 0.00 C ATOM 242 CD GLN A 16 -2.674 0.683 9.537 1.00 0.00 C ATOM 243 OE1 GLN A 16 -3.540 0.818 10.396 1.00 0.00 O ATOM 244 NE2 GLN A 16 -1.397 0.620 9.876 1.00 0.00 N ATOM 0 H GLN A 16 -5.341 -1.790 6.176 1.00 0.00 H new ATOM 0 HA GLN A 16 -2.628 -1.212 6.243 1.00 0.00 H new ATOM 0 HB2 GLN A 16 -4.828 0.020 7.038 1.00 0.00 H new ATOM 0 HB3 GLN A 16 -4.541 -0.803 8.559 1.00 0.00 H new ATOM 0 HG2 GLN A 16 -2.127 0.509 7.474 1.00 0.00 H new ATOM 0 HG3 GLN A 16 -3.440 1.630 7.776 1.00 0.00 H new ATOM 0 HE21 GLN A 16 -0.683 0.508 9.156 1.00 0.00 H new ATOM 0 HE22 GLN A 16 -1.126 0.684 10.857 1.00 0.00 H new ATOM 253 N LYS A 17 -3.457 -3.511 8.432 1.00 0.00 N ATOM 254 CA LYS A 17 -2.953 -4.591 9.277 1.00 0.00 C ATOM 255 C LYS A 17 -2.326 -5.692 8.425 1.00 0.00 C ATOM 256 O LYS A 17 -1.197 -6.099 8.699 1.00 0.00 O ATOM 257 CB LYS A 17 -4.114 -5.114 10.160 1.00 0.00 C ATOM 258 CG LYS A 17 -3.745 -5.123 11.651 1.00 0.00 C ATOM 259 CD LYS A 17 -3.097 -6.431 12.115 1.00 0.00 C ATOM 260 CE LYS A 17 -4.149 -7.482 12.509 1.00 0.00 C ATOM 261 NZ LYS A 17 -4.580 -7.360 13.920 1.00 0.00 N ATOM 0 H LYS A 17 -4.472 -3.525 8.333 1.00 0.00 H new ATOM 0 HA LYS A 17 -2.163 -4.222 9.932 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -4.994 -4.489 10.008 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -4.381 -6.123 9.847 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -3.062 -4.298 11.853 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -4.644 -4.944 12.240 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -2.468 -6.828 11.318 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -2.446 -6.232 12.966 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -5.018 -7.382 11.858 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -3.740 -8.479 12.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -5.288 -8.092 14.131 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.758 -7.483 14.546 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -4.996 -6.420 14.076 1.00 0.00 H new ATOM 275 N LEU A 18 -3.019 -6.139 7.373 1.00 0.00 N ATOM 276 CA LEU A 18 -2.547 -7.237 6.531 1.00 0.00 C ATOM 277 C LEU A 18 -1.173 -6.950 5.920 1.00 0.00 C ATOM 278 O LEU A 18 -0.316 -7.831 5.872 1.00 0.00 O ATOM 279 CB LEU A 18 -3.533 -7.543 5.390 1.00 0.00 C ATOM 280 CG LEU A 18 -4.931 -8.028 5.807 1.00 0.00 C ATOM 281 CD1 LEU A 18 -5.711 -8.385 4.540 1.00 0.00 C ATOM 282 CD2 LEU A 18 -4.892 -9.258 6.715 1.00 0.00 C ATOM 0 H LEU A 18 -3.917 -5.751 7.084 1.00 0.00 H new ATOM 0 HA LEU A 18 -2.470 -8.101 7.191 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -3.649 -6.642 4.788 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -3.086 -8.301 4.746 1.00 0.00 H new ATOM 0 HG LEU A 18 -5.404 -7.224 6.370 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -6.708 -8.732 4.812 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -5.795 -7.504 3.904 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -5.187 -9.174 4.000 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -5.909 -9.551 6.974 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -4.399 -10.079 6.194 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -4.340 -9.022 7.624 1.00 0.00 H new ATOM 294 N LEU A 19 -0.957 -5.737 5.412 1.00 0.00 N ATOM 295 CA LEU A 19 0.296 -5.365 4.761 1.00 0.00 C ATOM 296 C LEU A 19 1.454 -5.377 5.748 1.00 0.00 C ATOM 297 O LEU A 19 2.584 -5.660 5.355 1.00 0.00 O ATOM 298 CB LEU A 19 0.186 -3.956 4.176 1.00 0.00 C ATOM 299 CG LEU A 19 -0.706 -3.871 2.933 1.00 0.00 C ATOM 300 CD1 LEU A 19 -1.070 -2.409 2.708 1.00 0.00 C ATOM 301 CD2 LEU A 19 -0.001 -4.406 1.679 1.00 0.00 C ATOM 0 H LEU A 19 -1.646 -4.986 5.441 1.00 0.00 H new ATOM 0 HA LEU A 19 0.483 -6.094 3.973 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -0.206 -3.285 4.940 1.00 0.00 H new ATOM 0 HB3 LEU A 19 1.184 -3.600 3.921 1.00 0.00 H new ATOM 0 HG LEU A 19 -1.591 -4.484 3.102 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -1.706 -2.324 1.827 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -1.604 -2.029 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -0.161 -1.827 2.557 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -0.671 -4.326 0.823 1.00 0.00 H new ATOM 0 HD22 LEU A 19 0.900 -3.822 1.491 1.00 0.00 H new ATOM 0 HD23 LEU A 19 0.270 -5.451 1.832 1.00 0.00 H new ATOM 313 N MET A 20 1.191 -5.039 7.008 1.00 0.00 N ATOM 314 CA MET A 20 2.205 -5.012 8.044 1.00 0.00 C ATOM 315 C MET A 20 2.655 -6.429 8.361 1.00 0.00 C ATOM 316 O MET A 20 3.856 -6.679 8.305 1.00 0.00 O ATOM 317 CB MET A 20 1.642 -4.279 9.273 1.00 0.00 C ATOM 318 CG MET A 20 1.626 -2.757 9.068 1.00 0.00 C ATOM 319 SD MET A 20 3.093 -1.838 9.629 1.00 0.00 S ATOM 320 CE MET A 20 4.488 -2.858 9.070 1.00 0.00 C ATOM 0 H MET A 20 0.261 -4.776 7.335 1.00 0.00 H new ATOM 0 HA MET A 20 3.088 -4.468 7.708 1.00 0.00 H new ATOM 0 HB2 MET A 20 0.630 -4.630 9.474 1.00 0.00 H new ATOM 0 HB3 MET A 20 2.243 -4.522 10.149 1.00 0.00 H new ATOM 0 HG2 MET A 20 1.487 -2.559 8.005 1.00 0.00 H new ATOM 0 HG3 MET A 20 0.755 -2.354 9.584 1.00 0.00 H new ATOM 0 HE1 MET A 20 5.421 -2.432 9.439 1.00 0.00 H new ATOM 0 HE2 MET A 20 4.375 -3.872 9.455 1.00 0.00 H new ATOM 0 HE3 MET A 20 4.507 -2.883 7.980 1.00 0.00 H new ATOM 330 N GLU A 21 1.717 -7.350 8.588 1.00 0.00 N ATOM 331 CA GLU A 21 1.960 -8.784 8.668 1.00 0.00 C ATOM 332 C GLU A 21 2.879 -9.263 7.538 1.00 0.00 C ATOM 333 O GLU A 21 3.954 -9.817 7.770 1.00 0.00 O ATOM 334 CB GLU A 21 0.583 -9.476 8.617 1.00 0.00 C ATOM 335 CG GLU A 21 0.237 -10.153 9.938 1.00 0.00 C ATOM 336 CD GLU A 21 0.860 -11.545 9.995 1.00 0.00 C ATOM 337 OE1 GLU A 21 2.098 -11.631 9.835 1.00 0.00 O ATOM 338 OE2 GLU A 21 0.112 -12.542 10.108 1.00 0.00 O ATOM 0 H GLU A 21 0.736 -7.106 8.725 1.00 0.00 H new ATOM 0 HA GLU A 21 2.477 -9.035 9.594 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -0.184 -8.740 8.374 1.00 0.00 H new ATOM 0 HB3 GLU A 21 0.579 -10.217 7.817 1.00 0.00 H new ATOM 0 HG2 GLU A 21 0.600 -9.550 10.770 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -0.845 -10.226 10.045 1.00 0.00 H new ATOM 345 N ALA A 22 2.470 -8.984 6.296 1.00 0.00 N ATOM 346 CA ALA A 22 3.202 -9.393 5.114 1.00 0.00 C ATOM 347 C ALA A 22 4.628 -8.835 5.120 1.00 0.00 C ATOM 348 O ALA A 22 5.558 -9.569 4.798 1.00 0.00 O ATOM 349 CB ALA A 22 2.424 -8.963 3.868 1.00 0.00 C ATOM 0 H ALA A 22 1.616 -8.465 6.092 1.00 0.00 H new ATOM 0 HA ALA A 22 3.298 -10.479 5.108 1.00 0.00 H new ATOM 0 HB1 ALA A 22 2.970 -9.268 2.975 1.00 0.00 H new ATOM 0 HB2 ALA A 22 1.441 -9.435 3.872 1.00 0.00 H new ATOM 0 HB3 ALA A 22 2.306 -7.879 3.869 1.00 0.00 H new ATOM 355 N LEU A 23 4.816 -7.559 5.475 1.00 0.00 N ATOM 356 CA LEU A 23 6.120 -6.901 5.466 1.00 0.00 C ATOM 357 C LEU A 23 7.115 -7.626 6.371 1.00 0.00 C ATOM 358 O LEU A 23 8.268 -7.800 5.973 1.00 0.00 O ATOM 359 CB LEU A 23 5.979 -5.440 5.922 1.00 0.00 C ATOM 360 CG LEU A 23 7.317 -4.674 5.870 1.00 0.00 C ATOM 361 CD1 LEU A 23 7.745 -4.417 4.425 1.00 0.00 C ATOM 362 CD2 LEU A 23 7.142 -3.335 6.572 1.00 0.00 C ATOM 0 H LEU A 23 4.056 -6.951 5.779 1.00 0.00 H new ATOM 0 HA LEU A 23 6.500 -6.930 4.445 1.00 0.00 H new ATOM 0 HB2 LEU A 23 5.249 -4.934 5.290 1.00 0.00 H new ATOM 0 HB3 LEU A 23 5.590 -5.416 6.940 1.00 0.00 H new ATOM 0 HG LEU A 23 8.083 -5.275 6.361 1.00 0.00 H new ATOM 0 HD11 LEU A 23 8.691 -3.876 4.417 1.00 0.00 H new ATOM 0 HD12 LEU A 23 7.867 -5.368 3.907 1.00 0.00 H new ATOM 0 HD13 LEU A 23 6.983 -3.824 3.920 1.00 0.00 H new ATOM 0 HD21 LEU A 23 8.081 -2.783 6.542 1.00 0.00 H new ATOM 0 HD22 LEU A 23 6.366 -2.759 6.068 1.00 0.00 H new ATOM 0 HD23 LEU A 23 6.853 -3.503 7.609 1.00 0.00 H new ATOM 374 N GLN A 24 6.703 -8.054 7.570 1.00 0.00 N ATOM 375 CA GLN A 24 7.611 -8.759 8.465 1.00 0.00 C ATOM 376 C GLN A 24 8.172 -10.015 7.793 1.00 0.00 C ATOM 377 O GLN A 24 9.361 -10.329 7.916 1.00 0.00 O ATOM 378 CB GLN A 24 6.854 -9.192 9.728 1.00 0.00 C ATOM 379 CG GLN A 24 6.122 -8.088 10.498 1.00 0.00 C ATOM 380 CD GLN A 24 7.021 -6.986 11.041 1.00 0.00 C ATOM 381 OE1 GLN A 24 8.196 -7.188 11.364 1.00 0.00 O ATOM 382 NE2 GLN A 24 6.462 -5.800 11.181 1.00 0.00 N ATOM 0 H GLN A 24 5.759 -7.924 7.934 1.00 0.00 H new ATOM 0 HA GLN A 24 8.429 -8.084 8.716 1.00 0.00 H new ATOM 0 HB2 GLN A 24 6.125 -9.952 9.445 1.00 0.00 H new ATOM 0 HB3 GLN A 24 7.564 -9.667 10.405 1.00 0.00 H new ATOM 0 HG2 GLN A 24 5.377 -7.639 9.841 1.00 0.00 H new ATOM 0 HG3 GLN A 24 5.583 -8.541 11.330 1.00 0.00 H new ATOM 0 HE21 GLN A 24 5.490 -5.659 10.907 1.00 0.00 H new ATOM 0 HE22 GLN A 24 7.002 -5.024 11.564 1.00 0.00 H new ATOM 391 N GLN A 25 7.304 -10.736 7.088 1.00 0.00 N ATOM 392 CA GLN A 25 7.568 -12.030 6.483 1.00 0.00 C ATOM 393 C GLN A 25 8.065 -11.920 5.027 1.00 0.00 C ATOM 394 O GLN A 25 8.288 -12.950 4.381 1.00 0.00 O ATOM 395 CB GLN A 25 6.273 -12.847 6.633 1.00 0.00 C ATOM 396 CG GLN A 25 6.095 -13.406 8.067 1.00 0.00 C ATOM 397 CD GLN A 25 6.147 -14.936 8.138 1.00 0.00 C ATOM 398 OE1 GLN A 25 5.419 -15.584 8.884 1.00 0.00 O ATOM 399 NE2 GLN A 25 6.997 -15.581 7.351 1.00 0.00 N ATOM 0 H GLN A 25 6.351 -10.414 6.917 1.00 0.00 H new ATOM 0 HA GLN A 25 8.391 -12.536 6.988 1.00 0.00 H new ATOM 0 HB2 GLN A 25 5.418 -12.219 6.381 1.00 0.00 H new ATOM 0 HB3 GLN A 25 6.282 -13.673 5.922 1.00 0.00 H new ATOM 0 HG2 GLN A 25 6.874 -12.994 8.708 1.00 0.00 H new ATOM 0 HG3 GLN A 25 5.140 -13.064 8.466 1.00 0.00 H new ATOM 0 HE21 GLN A 25 7.609 -15.058 6.725 1.00 0.00 H new ATOM 0 HE22 GLN A 25 7.039 -16.600 7.372 1.00 0.00 H new ATOM 408 N LEU A 26 8.242 -10.700 4.511 1.00 0.00 N ATOM 409 CA LEU A 26 8.665 -10.409 3.150 1.00 0.00 C ATOM 410 C LEU A 26 10.171 -10.642 3.002 1.00 0.00 C ATOM 411 O LEU A 26 10.985 -10.004 3.674 1.00 0.00 O ATOM 412 CB LEU A 26 8.289 -8.955 2.817 1.00 0.00 C ATOM 413 CG LEU A 26 8.817 -8.454 1.467 1.00 0.00 C ATOM 414 CD1 LEU A 26 8.292 -9.240 0.261 1.00 0.00 C ATOM 415 CD2 LEU A 26 8.461 -6.982 1.291 1.00 0.00 C ATOM 0 H LEU A 26 8.086 -9.855 5.060 1.00 0.00 H new ATOM 0 HA LEU A 26 8.161 -11.076 2.450 1.00 0.00 H new ATOM 0 HB2 LEU A 26 7.203 -8.863 2.825 1.00 0.00 H new ATOM 0 HB3 LEU A 26 8.669 -8.305 3.605 1.00 0.00 H new ATOM 0 HG LEU A 26 9.897 -8.602 1.493 1.00 0.00 H new ATOM 0 HD11 LEU A 26 8.712 -8.824 -0.655 1.00 0.00 H new ATOM 0 HD12 LEU A 26 8.586 -10.286 0.352 1.00 0.00 H new ATOM 0 HD13 LEU A 26 7.205 -9.170 0.226 1.00 0.00 H new ATOM 0 HD21 LEU A 26 8.837 -6.629 0.331 1.00 0.00 H new ATOM 0 HD22 LEU A 26 7.378 -6.863 1.322 1.00 0.00 H new ATOM 0 HD23 LEU A 26 8.913 -6.400 2.094 1.00 0.00 H new ATOM 427 N ARG A 27 10.560 -11.526 2.081 1.00 0.00 N ATOM 428 CA ARG A 27 11.946 -11.899 1.780 1.00 0.00 C ATOM 429 C ARG A 27 12.694 -10.818 0.977 1.00 0.00 C ATOM 430 O ARG A 27 13.277 -11.119 -0.067 1.00 0.00 O ATOM 431 CB ARG A 27 11.918 -13.262 1.076 1.00 0.00 C ATOM 432 CG ARG A 27 13.273 -13.989 1.088 1.00 0.00 C ATOM 433 CD ARG A 27 13.154 -15.346 0.397 1.00 0.00 C ATOM 434 NE ARG A 27 12.861 -15.212 -1.038 1.00 0.00 N ATOM 435 CZ ARG A 27 12.949 -16.171 -1.964 1.00 0.00 C ATOM 436 NH1 ARG A 27 13.263 -17.421 -1.647 1.00 0.00 N ATOM 437 NH2 ARG A 27 12.695 -15.850 -3.228 1.00 0.00 N ATOM 0 H ARG A 27 9.888 -12.025 1.498 1.00 0.00 H new ATOM 0 HA ARG A 27 12.516 -11.980 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 27 11.172 -13.894 1.556 1.00 0.00 H new ATOM 0 HB3 ARG A 27 11.600 -13.122 0.043 1.00 0.00 H new ATOM 0 HG2 ARG A 27 14.024 -13.381 0.583 1.00 0.00 H new ATOM 0 HG3 ARG A 27 13.611 -14.125 2.115 1.00 0.00 H new ATOM 0 HD2 ARG A 27 14.083 -15.901 0.527 1.00 0.00 H new ATOM 0 HD3 ARG A 27 12.366 -15.928 0.875 1.00 0.00 H new ATOM 0 HE ARG A 27 12.560 -14.292 -1.359 1.00 0.00 H new ATOM 0 HH11 ARG A 27 13.444 -17.670 -0.675 1.00 0.00 H new ATOM 0 HH12 ARG A 27 13.323 -18.132 -2.376 1.00 0.00 H new ATOM 0 HH21 ARG A 27 12.441 -14.892 -3.470 1.00 0.00 H new ATOM 0 HH22 ARG A 27 12.754 -16.561 -3.957 1.00 0.00 H new ATOM 451 N ASP A 28 12.709 -9.567 1.447 1.00 0.00 N ATOM 452 CA ASP A 28 13.399 -8.451 0.781 1.00 0.00 C ATOM 453 C ASP A 28 14.450 -7.831 1.713 1.00 0.00 C ATOM 454 O ASP A 28 14.188 -6.818 2.359 1.00 0.00 O ATOM 455 CB ASP A 28 12.415 -7.390 0.253 1.00 0.00 C ATOM 456 CG ASP A 28 11.840 -7.702 -1.133 1.00 0.00 C ATOM 457 OD1 ASP A 28 12.228 -8.709 -1.768 1.00 0.00 O ATOM 458 OD2 ASP A 28 11.167 -6.846 -1.743 1.00 0.00 O ATOM 0 H ASP A 28 12.238 -9.295 2.310 1.00 0.00 H new ATOM 0 HA ASP A 28 13.913 -8.857 -0.090 1.00 0.00 H new ATOM 0 HB2 ASP A 28 11.592 -7.289 0.961 1.00 0.00 H new ATOM 0 HB3 ASP A 28 12.923 -6.426 0.215 1.00 0.00 H new ATOM 463 N PRO A 29 15.677 -8.377 1.761 1.00 0.00 N ATOM 464 CA PRO A 29 16.801 -7.770 2.477 1.00 0.00 C ATOM 465 C PRO A 29 17.162 -6.387 1.920 1.00 0.00 C ATOM 466 O PRO A 29 17.687 -5.533 2.634 1.00 0.00 O ATOM 467 CB PRO A 29 17.971 -8.744 2.287 1.00 0.00 C ATOM 468 CG PRO A 29 17.620 -9.506 1.007 1.00 0.00 C ATOM 469 CD PRO A 29 16.096 -9.576 1.062 1.00 0.00 C ATOM 0 HA PRO A 29 16.553 -7.611 3.526 1.00 0.00 H new ATOM 0 HB2 PRO A 29 18.918 -8.214 2.188 1.00 0.00 H new ATOM 0 HB3 PRO A 29 18.070 -9.418 3.138 1.00 0.00 H new ATOM 0 HG2 PRO A 29 17.969 -8.983 0.117 1.00 0.00 H new ATOM 0 HG3 PRO A 29 18.070 -10.499 0.991 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.669 -9.615 0.060 1.00 0.00 H new ATOM 0 HD3 PRO A 29 15.763 -10.472 1.586 1.00 0.00 H new ATOM 477 N ARG A 30 16.873 -6.151 0.636 1.00 0.00 N ATOM 478 CA ARG A 30 17.218 -4.913 -0.074 1.00 0.00 C ATOM 479 C ARG A 30 16.279 -3.751 0.295 1.00 0.00 C ATOM 480 O ARG A 30 16.332 -2.698 -0.343 1.00 0.00 O ATOM 481 CB ARG A 30 17.221 -5.177 -1.593 1.00 0.00 C ATOM 482 CG ARG A 30 18.188 -6.298 -2.030 1.00 0.00 C ATOM 483 CD ARG A 30 17.891 -6.736 -3.472 1.00 0.00 C ATOM 484 NE ARG A 30 18.801 -7.810 -3.906 1.00 0.00 N ATOM 485 CZ ARG A 30 19.993 -7.649 -4.490 1.00 0.00 C ATOM 486 NH1 ARG A 30 20.469 -6.425 -4.704 1.00 0.00 N ATOM 487 NH2 ARG A 30 20.701 -8.717 -4.850 1.00 0.00 N ATOM 0 H ARG A 30 16.384 -6.827 0.049 1.00 0.00 H new ATOM 0 HA ARG A 30 18.217 -4.606 0.236 1.00 0.00 H new ATOM 0 HB2 ARG A 30 16.211 -5.438 -1.909 1.00 0.00 H new ATOM 0 HB3 ARG A 30 17.489 -4.256 -2.112 1.00 0.00 H new ATOM 0 HG2 ARG A 30 19.217 -5.947 -1.955 1.00 0.00 H new ATOM 0 HG3 ARG A 30 18.092 -7.151 -1.358 1.00 0.00 H new ATOM 0 HD2 ARG A 30 16.859 -7.080 -3.544 1.00 0.00 H new ATOM 0 HD3 ARG A 30 17.989 -5.881 -4.141 1.00 0.00 H new ATOM 0 HE ARG A 30 18.492 -8.769 -3.746 1.00 0.00 H new ATOM 0 HH11 ARG A 30 19.925 -5.610 -4.423 1.00 0.00 H new ATOM 0 HH12 ARG A 30 21.378 -6.302 -5.149 1.00 0.00 H new ATOM 0 HH21 ARG A 30 20.334 -9.653 -4.680 1.00 0.00 H new ATOM 0 HH22 ARG A 30 21.611 -8.599 -5.296 1.00 0.00 H new ATOM 501 N LEU A 31 15.396 -3.934 1.283 1.00 0.00 N ATOM 502 CA LEU A 31 14.463 -2.937 1.785 1.00 0.00 C ATOM 503 C LEU A 31 14.675 -2.811 3.294 1.00 0.00 C ATOM 504 O LEU A 31 14.376 -3.744 4.041 1.00 0.00 O ATOM 505 CB LEU A 31 13.023 -3.359 1.427 1.00 0.00 C ATOM 506 CG LEU A 31 11.933 -2.613 2.223 1.00 0.00 C ATOM 507 CD1 LEU A 31 11.939 -1.107 1.932 1.00 0.00 C ATOM 508 CD2 LEU A 31 10.558 -3.203 1.908 1.00 0.00 C ATOM 0 H LEU A 31 15.314 -4.825 1.773 1.00 0.00 H new ATOM 0 HA LEU A 31 14.634 -1.962 1.329 1.00 0.00 H new ATOM 0 HB2 LEU A 31 12.860 -3.190 0.363 1.00 0.00 H new ATOM 0 HB3 LEU A 31 12.916 -4.430 1.600 1.00 0.00 H new ATOM 0 HG LEU A 31 12.152 -2.743 3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 31 11.156 -0.621 2.514 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.907 -0.687 2.205 1.00 0.00 H new ATOM 0 HD13 LEU A 31 11.758 -0.941 0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 31 9.795 -2.670 2.475 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.355 -3.103 0.842 1.00 0.00 H new ATOM 0 HD23 LEU A 31 10.543 -4.258 2.183 1.00 0.00 H new ATOM 520 N LYS A 32 15.155 -1.646 3.734 1.00 0.00 N ATOM 521 CA LYS A 32 15.310 -1.238 5.128 1.00 0.00 C ATOM 522 C LYS A 32 13.942 -1.145 5.828 1.00 0.00 C ATOM 523 O LYS A 32 13.444 -0.042 6.072 1.00 0.00 O ATOM 524 CB LYS A 32 16.032 0.127 5.154 1.00 0.00 C ATOM 525 CG LYS A 32 17.518 0.114 4.747 1.00 0.00 C ATOM 526 CD LYS A 32 17.934 1.507 4.236 1.00 0.00 C ATOM 527 CE LYS A 32 19.427 1.703 3.939 1.00 0.00 C ATOM 528 NZ LYS A 32 19.883 1.076 2.681 1.00 0.00 N ATOM 0 H LYS A 32 15.464 -0.921 3.087 1.00 0.00 H new ATOM 0 HA LYS A 32 15.899 -1.980 5.667 1.00 0.00 H new ATOM 0 HB2 LYS A 32 15.500 0.809 4.491 1.00 0.00 H new ATOM 0 HB3 LYS A 32 15.955 0.537 6.161 1.00 0.00 H new ATOM 0 HG2 LYS A 32 18.135 -0.169 5.600 1.00 0.00 H new ATOM 0 HG3 LYS A 32 17.685 -0.633 3.971 1.00 0.00 H new ATOM 0 HD2 LYS A 32 17.373 1.719 3.326 1.00 0.00 H new ATOM 0 HD3 LYS A 32 17.632 2.248 4.977 1.00 0.00 H new ATOM 0 HE2 LYS A 32 19.640 2.771 3.897 1.00 0.00 H new ATOM 0 HE3 LYS A 32 20.007 1.294 4.766 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 20.900 1.253 2.553 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 19.713 0.051 2.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 19.358 1.482 1.880 1.00 0.00 H new ATOM 542 N LYS A 33 13.293 -2.264 6.174 1.00 0.00 N ATOM 543 CA LYS A 33 11.957 -2.240 6.775 1.00 0.00 C ATOM 544 C LYS A 33 11.925 -1.673 8.206 1.00 0.00 C ATOM 545 O LYS A 33 10.848 -1.453 8.757 1.00 0.00 O ATOM 546 CB LYS A 33 11.282 -3.616 6.674 1.00 0.00 C ATOM 547 CG LYS A 33 12.073 -4.761 7.313 1.00 0.00 C ATOM 548 CD LYS A 33 11.224 -6.030 7.511 1.00 0.00 C ATOM 549 CE LYS A 33 12.031 -7.258 7.087 1.00 0.00 C ATOM 550 NZ LYS A 33 11.594 -8.505 7.749 1.00 0.00 N ATOM 0 H LYS A 33 13.675 -3.201 6.046 1.00 0.00 H new ATOM 0 HA LYS A 33 11.371 -1.534 6.186 1.00 0.00 H new ATOM 0 HB2 LYS A 33 10.301 -3.561 7.147 1.00 0.00 H new ATOM 0 HB3 LYS A 33 11.116 -3.849 5.622 1.00 0.00 H new ATOM 0 HG2 LYS A 33 12.933 -4.998 6.686 1.00 0.00 H new ATOM 0 HG3 LYS A 33 12.462 -4.435 8.277 1.00 0.00 H new ATOM 0 HD2 LYS A 33 10.926 -6.121 8.555 1.00 0.00 H new ATOM 0 HD3 LYS A 33 10.309 -5.963 6.923 1.00 0.00 H new ATOM 0 HE2 LYS A 33 11.950 -7.381 6.007 1.00 0.00 H new ATOM 0 HE3 LYS A 33 13.084 -7.086 7.311 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 12.253 -9.274 7.511 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 11.583 -8.365 8.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 10.638 -8.755 7.423 1.00 0.00 H new ATOM 564 N ASP A 34 13.082 -1.407 8.808 1.00 0.00 N ATOM 565 CA ASP A 34 13.219 -0.752 10.113 1.00 0.00 C ATOM 566 C ASP A 34 12.808 0.732 10.038 1.00 0.00 C ATOM 567 O ASP A 34 12.471 1.344 11.049 1.00 0.00 O ATOM 568 CB ASP A 34 14.686 -0.892 10.554 1.00 0.00 C ATOM 569 CG ASP A 34 14.946 -0.902 12.066 1.00 0.00 C ATOM 570 OD1 ASP A 34 14.155 -0.404 12.898 1.00 0.00 O ATOM 571 OD2 ASP A 34 16.027 -1.410 12.438 1.00 0.00 O ATOM 0 H ASP A 34 13.981 -1.648 8.390 1.00 0.00 H new ATOM 0 HA ASP A 34 12.558 -1.225 10.839 1.00 0.00 H new ATOM 0 HB2 ASP A 34 15.083 -1.816 10.133 1.00 0.00 H new ATOM 0 HB3 ASP A 34 15.254 -0.072 10.115 1.00 0.00 H new ATOM 576 N PHE A 35 12.814 1.330 8.837 1.00 0.00 N ATOM 577 CA PHE A 35 12.633 2.768 8.610 1.00 0.00 C ATOM 578 C PHE A 35 11.358 3.049 7.815 1.00 0.00 C ATOM 579 O PHE A 35 11.310 3.977 7.009 1.00 0.00 O ATOM 580 CB PHE A 35 13.861 3.353 7.893 1.00 0.00 C ATOM 581 CG PHE A 35 15.207 3.008 8.492 1.00 0.00 C ATOM 582 CD1 PHE A 35 15.386 2.952 9.886 1.00 0.00 C ATOM 583 CD2 PHE A 35 16.289 2.738 7.638 1.00 0.00 C ATOM 584 CE1 PHE A 35 16.624 2.574 10.420 1.00 0.00 C ATOM 585 CE2 PHE A 35 17.530 2.357 8.171 1.00 0.00 C ATOM 586 CZ PHE A 35 17.697 2.276 9.563 1.00 0.00 C ATOM 0 H PHE A 35 12.949 0.808 7.971 1.00 0.00 H new ATOM 0 HA PHE A 35 12.530 3.253 9.581 1.00 0.00 H new ATOM 0 HB2 PHE A 35 13.849 3.013 6.858 1.00 0.00 H new ATOM 0 HB3 PHE A 35 13.762 4.438 7.873 1.00 0.00 H new ATOM 0 HD1 PHE A 35 14.568 3.201 10.545 1.00 0.00 H new ATOM 0 HD2 PHE A 35 16.166 2.824 6.569 1.00 0.00 H new ATOM 0 HE1 PHE A 35 16.754 2.511 11.490 1.00 0.00 H new ATOM 0 HE2 PHE A 35 18.354 2.127 7.512 1.00 0.00 H new ATOM 0 HZ PHE A 35 18.652 1.984 9.975 1.00 0.00 H new ATOM 596 N VAL A 36 10.319 2.242 7.976 1.00 0.00 N ATOM 597 CA VAL A 36 9.094 2.407 7.213 1.00 0.00 C ATOM 598 C VAL A 36 7.940 1.871 8.044 1.00 0.00 C ATOM 599 O VAL A 36 8.136 1.032 8.923 1.00 0.00 O ATOM 600 CB VAL A 36 9.292 1.708 5.850 1.00 0.00 C ATOM 601 CG1 VAL A 36 9.524 0.216 5.960 1.00 0.00 C ATOM 602 CG2 VAL A 36 8.199 1.977 4.814 1.00 0.00 C ATOM 0 H VAL A 36 10.302 1.462 8.633 1.00 0.00 H new ATOM 0 HA VAL A 36 8.854 3.448 6.998 1.00 0.00 H new ATOM 0 HB VAL A 36 10.203 2.180 5.483 1.00 0.00 H new ATOM 0 HG11 VAL A 36 9.655 -0.206 4.964 1.00 0.00 H new ATOM 0 HG12 VAL A 36 10.419 0.030 6.553 1.00 0.00 H new ATOM 0 HG13 VAL A 36 8.665 -0.251 6.442 1.00 0.00 H new ATOM 0 HG21 VAL A 36 8.431 1.442 3.893 1.00 0.00 H new ATOM 0 HG22 VAL A 36 7.239 1.635 5.201 1.00 0.00 H new ATOM 0 HG23 VAL A 36 8.147 3.046 4.609 1.00 0.00 H new ATOM 612 N THR A 37 6.734 2.339 7.753 1.00 0.00 N ATOM 613 CA THR A 37 5.480 1.806 8.229 1.00 0.00 C ATOM 614 C THR A 37 4.404 2.391 7.311 1.00 0.00 C ATOM 615 O THR A 37 4.375 3.595 7.031 1.00 0.00 O ATOM 616 CB THR A 37 5.286 2.127 9.725 1.00 0.00 C ATOM 617 OG1 THR A 37 4.443 1.175 10.328 1.00 0.00 O ATOM 618 CG2 THR A 37 4.724 3.507 10.056 1.00 0.00 C ATOM 0 H THR A 37 6.605 3.147 7.143 1.00 0.00 H new ATOM 0 HA THR A 37 5.435 0.718 8.183 1.00 0.00 H new ATOM 0 HB THR A 37 6.303 2.103 10.117 1.00 0.00 H new ATOM 0 HG1 THR A 37 4.268 0.447 9.696 1.00 0.00 H new ATOM 0 HG21 THR A 37 4.634 3.613 11.137 1.00 0.00 H new ATOM 0 HG22 THR A 37 5.395 4.275 9.671 1.00 0.00 H new ATOM 0 HG23 THR A 37 3.742 3.620 9.597 1.00 0.00 H new ATOM 626 N PHE A 38 3.527 1.529 6.824 1.00 0.00 N ATOM 627 CA PHE A 38 2.261 1.882 6.201 1.00 0.00 C ATOM 628 C PHE A 38 1.370 2.327 7.345 1.00 0.00 C ATOM 629 O PHE A 38 0.976 1.493 8.163 1.00 0.00 O ATOM 630 CB PHE A 38 1.628 0.692 5.459 1.00 0.00 C ATOM 631 CG PHE A 38 2.608 -0.184 4.709 1.00 0.00 C ATOM 632 CD1 PHE A 38 3.533 0.381 3.811 1.00 0.00 C ATOM 633 CD2 PHE A 38 2.658 -1.561 4.998 1.00 0.00 C ATOM 634 CE1 PHE A 38 4.541 -0.419 3.250 1.00 0.00 C ATOM 635 CE2 PHE A 38 3.628 -2.369 4.389 1.00 0.00 C ATOM 636 CZ PHE A 38 4.573 -1.800 3.525 1.00 0.00 C ATOM 0 H PHE A 38 3.684 0.522 6.853 1.00 0.00 H new ATOM 0 HA PHE A 38 2.399 2.658 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 38 1.091 0.076 6.181 1.00 0.00 H new ATOM 0 HB3 PHE A 38 0.890 1.073 4.753 1.00 0.00 H new ATOM 0 HD1 PHE A 38 3.467 1.428 3.554 1.00 0.00 H new ATOM 0 HD2 PHE A 38 1.950 -1.994 5.688 1.00 0.00 H new ATOM 0 HE1 PHE A 38 5.290 0.023 2.609 1.00 0.00 H new ATOM 0 HE2 PHE A 38 3.647 -3.431 4.586 1.00 0.00 H new ATOM 0 HZ PHE A 38 5.328 -2.422 3.068 1.00 0.00 H new ATOM 646 N SER A 39 1.121 3.630 7.455 1.00 0.00 N ATOM 647 CA SER A 39 0.198 4.086 8.497 1.00 0.00 C ATOM 648 C SER A 39 -1.208 4.224 7.917 1.00 0.00 C ATOM 649 O SER A 39 -2.179 4.154 8.669 1.00 0.00 O ATOM 650 CB SER A 39 0.705 5.371 9.165 1.00 0.00 C ATOM 651 OG SER A 39 0.434 5.390 10.561 1.00 0.00 O ATOM 0 H SER A 39 1.522 4.361 6.867 1.00 0.00 H new ATOM 0 HA SER A 39 0.150 3.340 9.290 1.00 0.00 H new ATOM 0 HB2 SER A 39 1.779 5.464 9.003 1.00 0.00 H new ATOM 0 HB3 SER A 39 0.236 6.234 8.693 1.00 0.00 H new ATOM 0 HG SER A 39 0.774 6.223 10.949 1.00 0.00 H new ATOM 657 N ARG A 40 -1.345 4.407 6.601 1.00 0.00 N ATOM 658 CA ARG A 40 -2.614 4.735 5.980 1.00 0.00 C ATOM 659 C ARG A 40 -2.753 3.989 4.652 1.00 0.00 C ATOM 660 O ARG A 40 -1.771 3.501 4.092 1.00 0.00 O ATOM 661 CB ARG A 40 -2.698 6.259 5.906 1.00 0.00 C ATOM 662 CG ARG A 40 -3.941 6.761 5.168 1.00 0.00 C ATOM 663 CD ARG A 40 -4.401 8.030 5.853 1.00 0.00 C ATOM 664 NE ARG A 40 -5.619 8.534 5.212 1.00 0.00 N ATOM 665 CZ ARG A 40 -6.853 8.583 5.716 1.00 0.00 C ATOM 666 NH1 ARG A 40 -7.134 8.022 6.884 1.00 0.00 N ATOM 667 NH2 ARG A 40 -7.795 9.208 5.021 1.00 0.00 N ATOM 0 H ARG A 40 -0.571 4.330 5.941 1.00 0.00 H new ATOM 0 HA ARG A 40 -3.476 4.400 6.557 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -2.695 6.666 6.917 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -1.808 6.641 5.406 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -3.712 6.954 4.120 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -4.729 6.008 5.189 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -4.590 7.835 6.909 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -3.616 8.784 5.804 1.00 0.00 H new ATOM 0 HE ARG A 40 -5.509 8.892 4.263 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -6.402 7.545 7.410 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -8.082 8.068 7.257 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -7.567 9.637 4.124 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -8.747 9.260 5.384 1.00 0.00 H new ATOM 681 N VAL A 41 -3.971 3.874 4.149 1.00 0.00 N ATOM 682 CA VAL A 41 -4.390 3.445 2.838 1.00 0.00 C ATOM 683 C VAL A 41 -5.712 4.136 2.513 1.00 0.00 C ATOM 684 O VAL A 41 -6.527 4.362 3.412 1.00 0.00 O ATOM 685 CB VAL A 41 -4.419 1.908 2.832 1.00 0.00 C ATOM 686 CG1 VAL A 41 -5.016 1.268 4.065 1.00 0.00 C ATOM 687 CG2 VAL A 41 -5.004 1.298 1.554 1.00 0.00 C ATOM 0 H VAL A 41 -4.780 4.109 4.724 1.00 0.00 H new ATOM 0 HA VAL A 41 -3.705 3.733 2.040 1.00 0.00 H new ATOM 0 HB VAL A 41 -3.358 1.658 2.853 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -4.989 0.183 3.961 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -4.441 1.563 4.943 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -6.049 1.596 4.181 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.989 0.211 1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -6.032 1.638 1.426 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -4.409 1.610 0.696 1.00 0.00 H new ATOM 697 N GLU A 42 -5.915 4.453 1.236 1.00 0.00 N ATOM 698 CA GLU A 42 -7.137 4.980 0.659 1.00 0.00 C ATOM 699 C GLU A 42 -7.366 4.206 -0.640 1.00 0.00 C ATOM 700 O GLU A 42 -6.535 4.244 -1.546 1.00 0.00 O ATOM 701 CB GLU A 42 -7.031 6.501 0.441 1.00 0.00 C ATOM 702 CG GLU A 42 -7.542 7.246 1.691 1.00 0.00 C ATOM 703 CD GLU A 42 -7.571 8.776 1.602 1.00 0.00 C ATOM 704 OE1 GLU A 42 -8.447 9.320 0.900 1.00 0.00 O ATOM 705 OE2 GLU A 42 -6.870 9.454 2.394 1.00 0.00 O ATOM 0 H GLU A 42 -5.180 4.339 0.538 1.00 0.00 H new ATOM 0 HA GLU A 42 -7.991 4.848 1.324 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -5.996 6.777 0.240 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -7.615 6.794 -0.432 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -8.551 6.896 1.910 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.916 6.964 2.538 1.00 0.00 H new ATOM 712 N LEU A 43 -8.450 3.432 -0.726 1.00 0.00 N ATOM 713 CA LEU A 43 -8.801 2.738 -1.955 1.00 0.00 C ATOM 714 C LEU A 43 -9.541 3.676 -2.899 1.00 0.00 C ATOM 715 O LEU A 43 -10.269 4.572 -2.458 1.00 0.00 O ATOM 716 CB LEU A 43 -9.666 1.498 -1.669 1.00 0.00 C ATOM 717 CG LEU A 43 -8.849 0.202 -1.626 1.00 0.00 C ATOM 718 CD1 LEU A 43 -8.114 0.008 -0.301 1.00 0.00 C ATOM 719 CD2 LEU A 43 -9.754 -0.990 -1.939 1.00 0.00 C ATOM 0 H LEU A 43 -9.098 3.273 0.046 1.00 0.00 H new ATOM 0 HA LEU A 43 -7.875 2.408 -2.427 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -10.179 1.630 -0.717 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -10.435 1.412 -2.437 1.00 0.00 H new ATOM 0 HG LEU A 43 -8.074 0.275 -2.389 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -7.553 -0.926 -0.330 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -7.427 0.839 -0.141 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -8.837 -0.028 0.514 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -9.169 -1.909 -1.907 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -10.554 -1.043 -1.200 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -10.185 -0.868 -2.933 1.00 0.00 H new ATOM 731 N SER A 44 -9.444 3.353 -4.190 1.00 0.00 N ATOM 732 CA SER A 44 -10.221 3.956 -5.258 1.00 0.00 C ATOM 733 C SER A 44 -11.706 3.838 -4.918 1.00 0.00 C ATOM 734 O SER A 44 -12.127 2.858 -4.292 1.00 0.00 O ATOM 735 CB SER A 44 -9.911 3.221 -6.571 1.00 0.00 C ATOM 736 OG SER A 44 -10.034 4.026 -7.731 1.00 0.00 O ATOM 0 H SER A 44 -8.798 2.639 -4.525 1.00 0.00 H new ATOM 0 HA SER A 44 -9.966 5.010 -5.370 1.00 0.00 H new ATOM 0 HB2 SER A 44 -8.896 2.826 -6.522 1.00 0.00 H new ATOM 0 HB3 SER A 44 -10.581 2.366 -6.663 1.00 0.00 H new ATOM 0 HG SER A 44 -9.820 3.492 -8.524 1.00 0.00 H new ATOM 742 N LYS A 45 -12.517 4.763 -5.435 1.00 0.00 N ATOM 743 CA LYS A 45 -13.964 4.811 -5.216 1.00 0.00 C ATOM 744 C LYS A 45 -14.614 3.437 -5.361 1.00 0.00 C ATOM 745 O LYS A 45 -15.243 2.961 -4.419 1.00 0.00 O ATOM 746 CB LYS A 45 -14.593 5.869 -6.153 1.00 0.00 C ATOM 747 CG LYS A 45 -15.516 6.849 -5.419 1.00 0.00 C ATOM 748 CD LYS A 45 -14.738 7.759 -4.457 1.00 0.00 C ATOM 749 CE LYS A 45 -15.706 8.673 -3.710 1.00 0.00 C ATOM 750 NZ LYS A 45 -15.036 9.394 -2.610 1.00 0.00 N ATOM 0 H LYS A 45 -12.178 5.517 -6.032 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.153 5.112 -4.186 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -13.798 6.428 -6.646 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -15.159 5.363 -6.935 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -16.048 7.461 -6.147 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -16.268 6.291 -4.862 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.174 7.154 -3.747 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -14.015 8.357 -5.012 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -16.139 9.392 -4.406 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -16.529 8.082 -3.309 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -15.724 10.005 -2.125 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -14.645 8.708 -1.933 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.266 9.978 -2.995 1.00 0.00 H new ATOM 764 N ASP A 46 -14.406 2.772 -6.500 1.00 0.00 N ATOM 765 CA ASP A 46 -15.024 1.478 -6.808 1.00 0.00 C ATOM 766 C ASP A 46 -14.123 0.295 -6.407 1.00 0.00 C ATOM 767 O ASP A 46 -14.309 -0.815 -6.903 1.00 0.00 O ATOM 768 CB ASP A 46 -15.486 1.447 -8.286 1.00 0.00 C ATOM 769 CG ASP A 46 -16.964 1.826 -8.451 1.00 0.00 C ATOM 770 OD1 ASP A 46 -17.480 2.661 -7.673 1.00 0.00 O ATOM 771 OD2 ASP A 46 -17.621 1.328 -9.395 1.00 0.00 O ATOM 0 H ASP A 46 -13.798 3.119 -7.242 1.00 0.00 H new ATOM 0 HA ASP A 46 -15.919 1.359 -6.197 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -14.872 2.133 -8.869 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -15.323 0.449 -8.693 1.00 0.00 H new ATOM 776 N LYS A 47 -13.153 0.488 -5.500 1.00 0.00 N ATOM 777 CA LYS A 47 -12.159 -0.510 -5.057 1.00 0.00 C ATOM 778 C LYS A 47 -11.420 -1.159 -6.233 1.00 0.00 C ATOM 779 O LYS A 47 -11.169 -2.365 -6.256 1.00 0.00 O ATOM 780 CB LYS A 47 -12.768 -1.549 -4.093 1.00 0.00 C ATOM 781 CG LYS A 47 -13.435 -0.912 -2.861 1.00 0.00 C ATOM 782 CD LYS A 47 -14.960 -0.877 -2.974 1.00 0.00 C ATOM 783 CE LYS A 47 -15.536 -2.282 -2.754 1.00 0.00 C ATOM 784 NZ LYS A 47 -16.748 -2.506 -3.561 1.00 0.00 N ATOM 0 H LYS A 47 -13.032 1.386 -5.031 1.00 0.00 H new ATOM 0 HA LYS A 47 -11.404 0.032 -4.487 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -13.505 -2.146 -4.630 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -11.985 -2.232 -3.763 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -13.153 -1.471 -1.969 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -13.060 0.103 -2.733 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -15.372 -0.187 -2.237 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -15.251 -0.505 -3.956 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -14.784 -3.028 -3.012 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -15.771 -2.418 -1.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -17.109 -3.466 -3.386 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -17.474 -1.810 -3.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -16.518 -2.401 -4.570 1.00 0.00 H new ATOM 798 N ARG A 48 -11.106 -0.337 -7.235 1.00 0.00 N ATOM 799 CA ARG A 48 -10.409 -0.729 -8.458 1.00 0.00 C ATOM 800 C ARG A 48 -8.898 -0.737 -8.258 1.00 0.00 C ATOM 801 O ARG A 48 -8.199 -1.594 -8.800 1.00 0.00 O ATOM 802 CB ARG A 48 -10.767 0.268 -9.572 1.00 0.00 C ATOM 803 CG ARG A 48 -12.253 0.309 -9.937 1.00 0.00 C ATOM 804 CD ARG A 48 -12.601 -0.644 -11.087 1.00 0.00 C ATOM 805 NE ARG A 48 -14.036 -0.572 -11.419 1.00 0.00 N ATOM 806 CZ ARG A 48 -14.662 0.495 -11.933 1.00 0.00 C ATOM 807 NH1 ARG A 48 -13.986 1.567 -12.327 1.00 0.00 N ATOM 808 NH2 ARG A 48 -15.979 0.485 -12.061 1.00 0.00 N ATOM 0 H ARG A 48 -11.339 0.656 -7.215 1.00 0.00 H new ATOM 0 HA ARG A 48 -10.721 -1.738 -8.728 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -10.455 1.266 -9.263 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -10.194 0.017 -10.464 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -12.847 0.048 -9.061 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -12.527 1.326 -10.216 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -12.008 -0.391 -11.966 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -12.339 -1.665 -10.809 1.00 0.00 H new ATOM 0 HE ARG A 48 -14.599 -1.404 -11.243 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -12.970 1.589 -12.241 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -14.483 2.369 -12.716 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -16.514 -0.333 -11.769 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -16.460 1.295 -12.452 1.00 0.00 H new ATOM 822 N TYR A 49 -8.411 0.215 -7.471 1.00 0.00 N ATOM 823 CA TYR A 49 -7.020 0.434 -7.122 1.00 0.00 C ATOM 824 C TYR A 49 -6.982 0.624 -5.616 1.00 0.00 C ATOM 825 O TYR A 49 -8.007 0.980 -5.019 1.00 0.00 O ATOM 826 CB TYR A 49 -6.486 1.685 -7.840 1.00 0.00 C ATOM 827 CG TYR A 49 -6.399 1.517 -9.339 1.00 0.00 C ATOM 828 CD1 TYR A 49 -7.524 1.710 -10.162 1.00 0.00 C ATOM 829 CD2 TYR A 49 -5.181 1.117 -9.901 1.00 0.00 C ATOM 830 CE1 TYR A 49 -7.449 1.431 -11.538 1.00 0.00 C ATOM 831 CE2 TYR A 49 -5.082 0.892 -11.284 1.00 0.00 C ATOM 832 CZ TYR A 49 -6.222 1.026 -12.108 1.00 0.00 C ATOM 833 OH TYR A 49 -6.127 0.870 -13.454 1.00 0.00 O ATOM 0 H TYR A 49 -9.025 0.901 -7.031 1.00 0.00 H new ATOM 0 HA TYR A 49 -6.395 -0.406 -7.425 1.00 0.00 H new ATOM 0 HB2 TYR A 49 -7.134 2.531 -7.612 1.00 0.00 H new ATOM 0 HB3 TYR A 49 -5.497 1.926 -7.450 1.00 0.00 H new ATOM 0 HD1 TYR A 49 -8.447 2.073 -9.736 1.00 0.00 H new ATOM 0 HD2 TYR A 49 -4.315 0.981 -9.270 1.00 0.00 H new ATOM 0 HE1 TYR A 49 -8.328 1.526 -12.158 1.00 0.00 H new ATOM 0 HE2 TYR A 49 -4.133 0.616 -11.718 1.00 0.00 H new ATOM 0 HH TYR A 49 -5.218 0.589 -13.687 1.00 0.00 H new ATOM 843 N ALA A 50 -5.818 0.387 -5.026 1.00 0.00 N ATOM 844 CA ALA A 50 -5.587 0.591 -3.601 1.00 0.00 C ATOM 845 C ALA A 50 -4.324 1.408 -3.389 1.00 0.00 C ATOM 846 O ALA A 50 -3.241 0.934 -3.737 1.00 0.00 O ATOM 847 CB ALA A 50 -5.509 -0.763 -2.886 1.00 0.00 C ATOM 0 H ALA A 50 -4.999 0.044 -5.528 1.00 0.00 H new ATOM 0 HA ALA A 50 -6.420 1.149 -3.174 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -5.336 -0.603 -1.822 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.446 -1.302 -3.025 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -4.689 -1.348 -3.303 1.00 0.00 H new ATOM 853 N ASP A 51 -4.436 2.605 -2.812 1.00 0.00 N ATOM 854 CA ASP A 51 -3.301 3.499 -2.665 1.00 0.00 C ATOM 855 C ASP A 51 -2.891 3.436 -1.197 1.00 0.00 C ATOM 856 O ASP A 51 -3.591 3.966 -0.334 1.00 0.00 O ATOM 857 CB ASP A 51 -3.672 4.927 -3.092 1.00 0.00 C ATOM 858 CG ASP A 51 -4.273 5.074 -4.499 1.00 0.00 C ATOM 859 OD1 ASP A 51 -3.946 4.319 -5.444 1.00 0.00 O ATOM 860 OD2 ASP A 51 -5.082 6.021 -4.649 1.00 0.00 O ATOM 0 H ASP A 51 -5.310 2.974 -2.438 1.00 0.00 H new ATOM 0 HA ASP A 51 -2.472 3.199 -3.306 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -4.384 5.327 -2.370 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -2.777 5.547 -3.034 1.00 0.00 H new ATOM 865 N VAL A 52 -1.817 2.717 -0.870 1.00 0.00 N ATOM 866 CA VAL A 52 -1.262 2.705 0.488 1.00 0.00 C ATOM 867 C VAL A 52 -0.439 3.979 0.671 1.00 0.00 C ATOM 868 O VAL A 52 0.097 4.493 -0.307 1.00 0.00 O ATOM 869 CB VAL A 52 -0.459 1.408 0.682 1.00 0.00 C ATOM 870 CG1 VAL A 52 0.460 1.395 1.910 1.00 0.00 C ATOM 871 CG2 VAL A 52 -1.459 0.253 0.817 1.00 0.00 C ATOM 0 H VAL A 52 -1.309 2.130 -1.532 1.00 0.00 H new ATOM 0 HA VAL A 52 -2.034 2.707 1.257 1.00 0.00 H new ATOM 0 HB VAL A 52 0.195 1.315 -0.185 1.00 0.00 H new ATOM 0 HG11 VAL A 52 0.984 0.441 1.962 1.00 0.00 H new ATOM 0 HG12 VAL A 52 1.186 2.204 1.829 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -0.136 1.532 2.812 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.918 -0.683 0.956 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -2.105 0.430 1.677 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -2.066 0.190 -0.086 1.00 0.00 H new ATOM 881 N TYR A 53 -0.332 4.476 1.906 1.00 0.00 N ATOM 882 CA TYR A 53 0.321 5.715 2.289 1.00 0.00 C ATOM 883 C TYR A 53 1.385 5.383 3.328 1.00 0.00 C ATOM 884 O TYR A 53 1.088 4.870 4.416 1.00 0.00 O ATOM 885 CB TYR A 53 -0.675 6.692 2.884 1.00 0.00 C ATOM 886 CG TYR A 53 -1.590 7.403 1.904 1.00 0.00 C ATOM 887 CD1 TYR A 53 -2.481 6.662 1.110 1.00 0.00 C ATOM 888 CD2 TYR A 53 -1.573 8.807 1.791 1.00 0.00 C ATOM 889 CE1 TYR A 53 -3.307 7.293 0.173 1.00 0.00 C ATOM 890 CE2 TYR A 53 -2.400 9.452 0.857 1.00 0.00 C ATOM 891 CZ TYR A 53 -3.272 8.692 0.046 1.00 0.00 C ATOM 892 OH TYR A 53 -4.142 9.320 -0.776 1.00 0.00 O ATOM 0 H TYR A 53 -0.726 3.988 2.710 1.00 0.00 H new ATOM 0 HA TYR A 53 0.765 6.179 1.408 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.295 6.154 3.601 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -0.121 7.446 3.443 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.529 5.589 1.224 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -0.921 9.390 2.425 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.968 6.708 -0.449 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -2.369 10.527 0.759 1.00 0.00 H new ATOM 0 HH TYR A 53 -3.982 10.286 -0.745 1.00 0.00 H new ATOM 902 N VAL A 54 2.623 5.693 2.986 1.00 0.00 N ATOM 903 CA VAL A 54 3.831 5.275 3.691 1.00 0.00 C ATOM 904 C VAL A 54 4.744 6.465 3.994 1.00 0.00 C ATOM 905 O VAL A 54 4.860 7.377 3.182 1.00 0.00 O ATOM 906 CB VAL A 54 4.508 4.166 2.864 1.00 0.00 C ATOM 907 CG1 VAL A 54 5.175 4.518 1.558 1.00 0.00 C ATOM 908 CG2 VAL A 54 5.488 3.366 3.722 1.00 0.00 C ATOM 0 H VAL A 54 2.828 6.271 2.171 1.00 0.00 H new ATOM 0 HA VAL A 54 3.582 4.865 4.670 1.00 0.00 H new ATOM 0 HB VAL A 54 3.640 3.586 2.551 1.00 0.00 H new ATOM 0 HG11 VAL A 54 5.598 3.618 1.111 1.00 0.00 H new ATOM 0 HG12 VAL A 54 4.440 4.949 0.879 1.00 0.00 H new ATOM 0 HG13 VAL A 54 5.970 5.242 1.739 1.00 0.00 H new ATOM 0 HG21 VAL A 54 5.953 2.589 3.115 1.00 0.00 H new ATOM 0 HG22 VAL A 54 6.258 4.032 4.111 1.00 0.00 H new ATOM 0 HG23 VAL A 54 4.953 2.906 4.553 1.00 0.00 H new ATOM 918 N SER A 55 5.410 6.447 5.149 1.00 0.00 N ATOM 919 CA SER A 55 6.143 7.601 5.689 1.00 0.00 C ATOM 920 C SER A 55 7.637 7.270 5.894 1.00 0.00 C ATOM 921 O SER A 55 8.174 7.475 6.982 1.00 0.00 O ATOM 922 CB SER A 55 5.393 8.046 6.960 1.00 0.00 C ATOM 923 OG SER A 55 5.936 9.170 7.627 1.00 0.00 O ATOM 0 H SER A 55 5.458 5.622 5.746 1.00 0.00 H new ATOM 0 HA SER A 55 6.164 8.440 4.993 1.00 0.00 H new ATOM 0 HB2 SER A 55 4.360 8.269 6.692 1.00 0.00 H new ATOM 0 HB3 SER A 55 5.368 7.209 7.658 1.00 0.00 H new ATOM 0 HG SER A 55 6.903 9.051 7.734 1.00 0.00 H new ATOM 929 N PHE A 56 8.307 6.728 4.863 1.00 0.00 N ATOM 930 CA PHE A 56 9.689 6.231 4.948 1.00 0.00 C ATOM 931 C PHE A 56 10.594 7.220 5.702 1.00 0.00 C ATOM 932 O PHE A 56 10.674 8.391 5.330 1.00 0.00 O ATOM 933 CB PHE A 56 10.254 5.955 3.546 1.00 0.00 C ATOM 934 CG PHE A 56 11.564 5.191 3.580 1.00 0.00 C ATOM 935 CD1 PHE A 56 11.541 3.795 3.757 1.00 0.00 C ATOM 936 CD2 PHE A 56 12.801 5.866 3.509 1.00 0.00 C ATOM 937 CE1 PHE A 56 12.737 3.079 3.936 1.00 0.00 C ATOM 938 CE2 PHE A 56 13.998 5.145 3.669 1.00 0.00 C ATOM 939 CZ PHE A 56 13.966 3.758 3.898 1.00 0.00 C ATOM 0 H PHE A 56 7.897 6.622 3.935 1.00 0.00 H new ATOM 0 HA PHE A 56 9.670 5.296 5.508 1.00 0.00 H new ATOM 0 HB2 PHE A 56 9.523 5.388 2.970 1.00 0.00 H new ATOM 0 HB3 PHE A 56 10.404 6.902 3.027 1.00 0.00 H new ATOM 0 HD1 PHE A 56 10.597 3.270 3.755 1.00 0.00 H new ATOM 0 HD2 PHE A 56 12.829 6.931 3.333 1.00 0.00 H new ATOM 0 HE1 PHE A 56 12.711 2.012 4.102 1.00 0.00 H new ATOM 0 HE2 PHE A 56 14.946 5.659 3.616 1.00 0.00 H new ATOM 0 HZ PHE A 56 14.887 3.214 4.045 1.00 0.00 H new ATOM 949 N LEU A 57 11.255 6.748 6.759 1.00 0.00 N ATOM 950 CA LEU A 57 12.046 7.464 7.761 1.00 0.00 C ATOM 951 C LEU A 57 13.413 7.899 7.202 1.00 0.00 C ATOM 952 O LEU A 57 14.421 7.868 7.909 1.00 0.00 O ATOM 953 CB LEU A 57 12.154 6.545 9.011 1.00 0.00 C ATOM 954 CG LEU A 57 11.667 7.209 10.309 1.00 0.00 C ATOM 955 CD1 LEU A 57 11.304 6.134 11.340 1.00 0.00 C ATOM 956 CD2 LEU A 57 12.744 8.119 10.901 1.00 0.00 C ATOM 0 H LEU A 57 11.249 5.747 6.955 1.00 0.00 H new ATOM 0 HA LEU A 57 11.559 8.396 8.046 1.00 0.00 H new ATOM 0 HB2 LEU A 57 11.573 5.639 8.836 1.00 0.00 H new ATOM 0 HB3 LEU A 57 13.192 6.239 9.137 1.00 0.00 H new ATOM 0 HG LEU A 57 10.790 7.810 10.068 1.00 0.00 H new ATOM 0 HD11 LEU A 57 10.960 6.611 12.257 1.00 0.00 H new ATOM 0 HD12 LEU A 57 10.512 5.500 10.941 1.00 0.00 H new ATOM 0 HD13 LEU A 57 12.182 5.525 11.555 1.00 0.00 H new ATOM 0 HD21 LEU A 57 12.371 8.575 11.818 1.00 0.00 H new ATOM 0 HD22 LEU A 57 13.635 7.531 11.124 1.00 0.00 H new ATOM 0 HD23 LEU A 57 12.995 8.900 10.184 1.00 0.00 H new ATOM 968 N GLY A 58 13.465 8.248 5.916 1.00 0.00 N ATOM 969 CA GLY A 58 14.652 8.586 5.146 1.00 0.00 C ATOM 970 C GLY A 58 14.423 9.881 4.374 1.00 0.00 C ATOM 971 O GLY A 58 13.481 10.628 4.648 1.00 0.00 O ATOM 0 H GLY A 58 12.618 8.304 5.350 1.00 0.00 H new ATOM 0 HA2 GLY A 58 15.508 8.697 5.812 1.00 0.00 H new ATOM 0 HA3 GLY A 58 14.889 7.778 4.454 1.00 0.00 H new ATOM 975 N THR A 59 15.303 10.180 3.424 1.00 0.00 N ATOM 976 CA THR A 59 15.307 11.451 2.704 1.00 0.00 C ATOM 977 C THR A 59 14.175 11.476 1.667 1.00 0.00 C ATOM 978 O THR A 59 13.636 10.416 1.334 1.00 0.00 O ATOM 979 CB THR A 59 16.694 11.633 2.064 1.00 0.00 C ATOM 980 OG1 THR A 59 17.018 10.503 1.277 1.00 0.00 O ATOM 981 CG2 THR A 59 17.753 11.840 3.154 1.00 0.00 C ATOM 0 H THR A 59 16.041 9.541 3.128 1.00 0.00 H new ATOM 0 HA THR A 59 15.124 12.284 3.382 1.00 0.00 H new ATOM 0 HB THR A 59 16.674 12.514 1.422 1.00 0.00 H new ATOM 0 HG1 THR A 59 17.530 10.787 0.491 1.00 0.00 H new ATOM 0 HG21 THR A 59 18.731 11.968 2.691 1.00 0.00 H new ATOM 0 HG22 THR A 59 17.508 12.729 3.735 1.00 0.00 H new ATOM 0 HG23 THR A 59 17.773 10.971 3.811 1.00 0.00 H new ATOM 989 N PRO A 60 13.798 12.636 1.095 1.00 0.00 N ATOM 990 CA PRO A 60 12.844 12.682 -0.016 1.00 0.00 C ATOM 991 C PRO A 60 13.428 12.143 -1.328 1.00 0.00 C ATOM 992 O PRO A 60 12.790 12.236 -2.373 1.00 0.00 O ATOM 993 CB PRO A 60 12.448 14.154 -0.148 1.00 0.00 C ATOM 994 CG PRO A 60 13.713 14.873 0.308 1.00 0.00 C ATOM 995 CD PRO A 60 14.227 13.986 1.445 1.00 0.00 C ATOM 0 HA PRO A 60 11.987 12.040 0.187 1.00 0.00 H new ATOM 0 HB2 PRO A 60 12.180 14.413 -1.172 1.00 0.00 H new ATOM 0 HB3 PRO A 60 11.591 14.402 0.478 1.00 0.00 H new ATOM 0 HG2 PRO A 60 14.442 14.957 -0.498 1.00 0.00 H new ATOM 0 HG3 PRO A 60 13.500 15.885 0.652 1.00 0.00 H new ATOM 0 HD2 PRO A 60 15.312 14.045 1.532 1.00 0.00 H new ATOM 0 HD3 PRO A 60 13.813 14.295 2.405 1.00 0.00 H new ATOM 1003 N GLU A 61 14.645 11.612 -1.302 1.00 0.00 N ATOM 1004 CA GLU A 61 15.363 11.134 -2.462 1.00 0.00 C ATOM 1005 C GLU A 61 15.390 9.608 -2.343 1.00 0.00 C ATOM 1006 O GLU A 61 14.796 8.948 -3.201 1.00 0.00 O ATOM 1007 CB GLU A 61 16.700 11.902 -2.575 1.00 0.00 C ATOM 1008 CG GLU A 61 16.417 13.418 -2.722 1.00 0.00 C ATOM 1009 CD GLU A 61 17.643 14.338 -2.805 1.00 0.00 C ATOM 1010 OE1 GLU A 61 18.321 14.354 -3.856 1.00 0.00 O ATOM 1011 OE2 GLU A 61 17.809 15.180 -1.885 1.00 0.00 O ATOM 0 H GLU A 61 15.173 11.502 -0.436 1.00 0.00 H new ATOM 0 HA GLU A 61 14.901 11.337 -3.428 1.00 0.00 H new ATOM 0 HB2 GLU A 61 17.312 11.720 -1.691 1.00 0.00 H new ATOM 0 HB3 GLU A 61 17.266 11.542 -3.434 1.00 0.00 H new ATOM 0 HG2 GLU A 61 15.817 13.568 -3.619 1.00 0.00 H new ATOM 0 HG3 GLU A 61 15.809 13.735 -1.875 1.00 0.00 H new ATOM 1018 N GLU A 62 15.876 9.058 -1.216 1.00 0.00 N ATOM 1019 CA GLU A 62 15.793 7.612 -0.973 1.00 0.00 C ATOM 1020 C GLU A 62 14.336 7.153 -0.912 1.00 0.00 C ATOM 1021 O GLU A 62 14.002 6.113 -1.478 1.00 0.00 O ATOM 1022 CB GLU A 62 16.499 7.183 0.326 1.00 0.00 C ATOM 1023 CG GLU A 62 18.006 6.935 0.147 1.00 0.00 C ATOM 1024 CD GLU A 62 18.427 5.568 0.704 1.00 0.00 C ATOM 1025 OE1 GLU A 62 18.188 4.525 0.039 1.00 0.00 O ATOM 1026 OE2 GLU A 62 18.918 5.511 1.851 1.00 0.00 O ATOM 0 H GLU A 62 16.325 9.588 -0.469 1.00 0.00 H new ATOM 0 HA GLU A 62 16.304 7.139 -1.811 1.00 0.00 H new ATOM 0 HB2 GLU A 62 16.352 7.954 1.083 1.00 0.00 H new ATOM 0 HB3 GLU A 62 16.031 6.274 0.702 1.00 0.00 H new ATOM 0 HG2 GLU A 62 18.261 6.991 -0.911 1.00 0.00 H new ATOM 0 HG3 GLU A 62 18.567 7.722 0.652 1.00 0.00 H new ATOM 1033 N ARG A 63 13.439 7.926 -0.278 1.00 0.00 N ATOM 1034 CA ARG A 63 12.031 7.550 -0.130 1.00 0.00 C ATOM 1035 C ARG A 63 11.377 7.225 -1.470 1.00 0.00 C ATOM 1036 O ARG A 63 10.433 6.444 -1.472 1.00 0.00 O ATOM 1037 CB ARG A 63 11.275 8.660 0.628 1.00 0.00 C ATOM 1038 CG ARG A 63 9.755 8.452 0.728 1.00 0.00 C ATOM 1039 CD ARG A 63 9.098 9.480 1.660 1.00 0.00 C ATOM 1040 NE ARG A 63 8.819 10.736 0.951 1.00 0.00 N ATOM 1041 CZ ARG A 63 8.359 11.876 1.480 1.00 0.00 C ATOM 1042 NH1 ARG A 63 8.163 12.012 2.787 1.00 0.00 N ATOM 1043 NH2 ARG A 63 8.098 12.876 0.652 1.00 0.00 N ATOM 0 H ARG A 63 13.672 8.825 0.144 1.00 0.00 H new ATOM 0 HA ARG A 63 11.980 6.632 0.456 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.684 8.736 1.635 1.00 0.00 H new ATOM 0 HB3 ARG A 63 11.465 9.613 0.134 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.312 8.527 -0.265 1.00 0.00 H new ATOM 0 HG3 ARG A 63 9.549 7.446 1.094 1.00 0.00 H new ATOM 0 HD2 ARG A 63 8.170 9.071 2.061 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.753 9.676 2.509 1.00 0.00 H new ATOM 0 HE ARG A 63 8.995 10.740 -0.054 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.364 11.235 3.416 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.811 12.893 3.161 1.00 0.00 H new ATOM 0 HH21 ARG A 63 8.249 12.761 -0.350 1.00 0.00 H new ATOM 0 HH22 ARG A 63 7.746 13.761 1.016 1.00 0.00 H new ATOM 1057 N LYS A 64 11.843 7.791 -2.587 1.00 0.00 N ATOM 1058 CA LYS A 64 11.278 7.527 -3.908 1.00 0.00 C ATOM 1059 C LYS A 64 11.827 6.259 -4.539 1.00 0.00 C ATOM 1060 O LYS A 64 11.116 5.615 -5.312 1.00 0.00 O ATOM 1061 CB LYS A 64 11.558 8.722 -4.813 1.00 0.00 C ATOM 1062 CG LYS A 64 10.842 9.995 -4.322 1.00 0.00 C ATOM 1063 CD LYS A 64 10.504 10.998 -5.431 1.00 0.00 C ATOM 1064 CE LYS A 64 11.680 11.383 -6.332 1.00 0.00 C ATOM 1065 NZ LYS A 64 11.205 11.962 -7.606 1.00 0.00 N ATOM 0 H LYS A 64 12.625 8.446 -2.598 1.00 0.00 H new ATOM 0 HA LYS A 64 10.205 7.378 -3.788 1.00 0.00 H new ATOM 0 HB2 LYS A 64 12.632 8.903 -4.854 1.00 0.00 H new ATOM 0 HB3 LYS A 64 11.235 8.492 -5.828 1.00 0.00 H new ATOM 0 HG2 LYS A 64 9.921 9.707 -3.816 1.00 0.00 H new ATOM 0 HG3 LYS A 64 11.471 10.489 -3.582 1.00 0.00 H new ATOM 0 HD2 LYS A 64 9.712 10.578 -6.051 1.00 0.00 H new ATOM 0 HD3 LYS A 64 10.105 11.903 -4.973 1.00 0.00 H new ATOM 0 HE2 LYS A 64 12.317 12.102 -5.817 1.00 0.00 H new ATOM 0 HE3 LYS A 64 12.291 10.503 -6.534 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 12.022 12.214 -8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 10.617 11.265 -8.106 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 10.642 12.814 -7.411 1.00 0.00 H new ATOM 1079 N GLU A 65 13.065 5.902 -4.237 1.00 0.00 N ATOM 1080 CA GLU A 65 13.639 4.624 -4.628 1.00 0.00 C ATOM 1081 C GLU A 65 12.864 3.467 -3.989 1.00 0.00 C ATOM 1082 O GLU A 65 12.546 2.504 -4.686 1.00 0.00 O ATOM 1083 CB GLU A 65 15.127 4.578 -4.267 1.00 0.00 C ATOM 1084 CG GLU A 65 15.771 3.334 -4.884 1.00 0.00 C ATOM 1085 CD GLU A 65 17.269 3.291 -4.629 1.00 0.00 C ATOM 1086 OE1 GLU A 65 18.015 4.090 -5.241 1.00 0.00 O ATOM 1087 OE2 GLU A 65 17.703 2.379 -3.888 1.00 0.00 O ATOM 0 H GLU A 65 13.705 6.496 -3.709 1.00 0.00 H new ATOM 0 HA GLU A 65 13.556 4.514 -5.709 1.00 0.00 H new ATOM 0 HB2 GLU A 65 15.627 5.476 -4.630 1.00 0.00 H new ATOM 0 HB3 GLU A 65 15.248 4.562 -3.184 1.00 0.00 H new ATOM 0 HG2 GLU A 65 15.306 2.440 -4.470 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.584 3.322 -5.958 1.00 0.00 H new ATOM 1094 N THR A 66 12.520 3.547 -2.697 1.00 0.00 N ATOM 1095 CA THR A 66 11.904 2.421 -1.986 1.00 0.00 C ATOM 1096 C THR A 66 10.591 1.983 -2.647 1.00 0.00 C ATOM 1097 O THR A 66 10.232 0.805 -2.604 1.00 0.00 O ATOM 1098 CB THR A 66 11.697 2.738 -0.492 1.00 0.00 C ATOM 1099 OG1 THR A 66 10.623 3.635 -0.278 1.00 0.00 O ATOM 1100 CG2 THR A 66 12.941 3.352 0.149 1.00 0.00 C ATOM 0 H THR A 66 12.658 4.379 -2.124 1.00 0.00 H new ATOM 0 HA THR A 66 12.599 1.584 -2.052 1.00 0.00 H new ATOM 0 HB THR A 66 11.477 1.776 -0.030 1.00 0.00 H new ATOM 0 HG1 THR A 66 10.792 4.469 -0.763 1.00 0.00 H new ATOM 0 HG21 THR A 66 12.744 3.557 1.201 1.00 0.00 H new ATOM 0 HG22 THR A 66 13.775 2.655 0.065 1.00 0.00 H new ATOM 0 HG23 THR A 66 13.192 4.282 -0.361 1.00 0.00 H new ATOM 1108 N VAL A 67 9.911 2.924 -3.304 1.00 0.00 N ATOM 1109 CA VAL A 67 8.621 2.755 -3.950 1.00 0.00 C ATOM 1110 C VAL A 67 8.704 1.683 -5.039 1.00 0.00 C ATOM 1111 O VAL A 67 7.761 0.901 -5.176 1.00 0.00 O ATOM 1112 CB VAL A 67 8.139 4.115 -4.501 1.00 0.00 C ATOM 1113 CG1 VAL A 67 6.640 4.093 -4.801 1.00 0.00 C ATOM 1114 CG2 VAL A 67 8.357 5.266 -3.526 1.00 0.00 C ATOM 0 H VAL A 67 10.270 3.874 -3.401 1.00 0.00 H new ATOM 0 HA VAL A 67 7.886 2.409 -3.223 1.00 0.00 H new ATOM 0 HB VAL A 67 8.731 4.272 -5.403 1.00 0.00 H new ATOM 0 HG11 VAL A 67 6.332 5.065 -5.187 1.00 0.00 H new ATOM 0 HG12 VAL A 67 6.429 3.324 -5.544 1.00 0.00 H new ATOM 0 HG13 VAL A 67 6.089 3.875 -3.886 1.00 0.00 H new ATOM 0 HG21 VAL A 67 7.998 6.194 -3.972 1.00 0.00 H new ATOM 0 HG22 VAL A 67 7.809 5.071 -2.604 1.00 0.00 H new ATOM 0 HG23 VAL A 67 9.420 5.358 -3.304 1.00 0.00 H new ATOM 1124 N GLU A 68 9.821 1.585 -5.774 1.00 0.00 N ATOM 1125 CA GLU A 68 10.037 0.501 -6.714 1.00 0.00 C ATOM 1126 C GLU A 68 10.052 -0.834 -5.989 1.00 0.00 C ATOM 1127 O GLU A 68 9.364 -1.752 -6.418 1.00 0.00 O ATOM 1128 CB GLU A 68 11.365 0.712 -7.452 1.00 0.00 C ATOM 1129 CG GLU A 68 11.171 1.550 -8.705 1.00 0.00 C ATOM 1130 CD GLU A 68 10.568 0.714 -9.840 1.00 0.00 C ATOM 1131 OE1 GLU A 68 11.307 0.080 -10.629 1.00 0.00 O ATOM 1132 OE2 GLU A 68 9.325 0.665 -9.972 1.00 0.00 O ATOM 0 H GLU A 68 10.589 2.255 -5.727 1.00 0.00 H new ATOM 0 HA GLU A 68 9.221 0.494 -7.437 1.00 0.00 H new ATOM 0 HB2 GLU A 68 12.078 1.203 -6.790 1.00 0.00 H new ATOM 0 HB3 GLU A 68 11.792 -0.254 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 68 10.518 2.394 -8.484 1.00 0.00 H new ATOM 0 HG3 GLU A 68 12.129 1.963 -9.022 1.00 0.00 H new ATOM 1139 N ILE A 69 10.830 -0.942 -4.911 1.00 0.00 N ATOM 1140 CA ILE A 69 11.044 -2.173 -4.153 1.00 0.00 C ATOM 1141 C ILE A 69 9.703 -2.644 -3.576 1.00 0.00 C ATOM 1142 O ILE A 69 9.375 -3.831 -3.669 1.00 0.00 O ATOM 1143 CB ILE A 69 12.134 -1.977 -3.058 1.00 0.00 C ATOM 1144 CG1 ILE A 69 13.307 -1.065 -3.511 1.00 0.00 C ATOM 1145 CG2 ILE A 69 12.690 -3.358 -2.654 1.00 0.00 C ATOM 1146 CD1 ILE A 69 14.310 -0.715 -2.410 1.00 0.00 C ATOM 0 H ILE A 69 11.345 -0.148 -4.530 1.00 0.00 H new ATOM 0 HA ILE A 69 11.422 -2.953 -4.814 1.00 0.00 H new ATOM 0 HB ILE A 69 11.656 -1.478 -2.215 1.00 0.00 H new ATOM 0 HG12 ILE A 69 13.839 -1.559 -4.324 1.00 0.00 H new ATOM 0 HG13 ILE A 69 12.895 -0.140 -3.915 1.00 0.00 H new ATOM 0 HG21 ILE A 69 13.454 -3.232 -1.887 1.00 0.00 H new ATOM 0 HG22 ILE A 69 11.881 -3.975 -2.263 1.00 0.00 H new ATOM 0 HG23 ILE A 69 13.127 -3.843 -3.526 1.00 0.00 H new ATOM 0 HD11 ILE A 69 15.092 -0.076 -2.820 1.00 0.00 H new ATOM 0 HD12 ILE A 69 13.797 -0.190 -1.604 1.00 0.00 H new ATOM 0 HD13 ILE A 69 14.756 -1.630 -2.020 1.00 0.00 H new ATOM 1158 N LEU A 70 8.908 -1.723 -3.024 1.00 0.00 N ATOM 1159 CA LEU A 70 7.583 -2.010 -2.490 1.00 0.00 C ATOM 1160 C LEU A 70 6.680 -2.578 -3.590 1.00 0.00 C ATOM 1161 O LEU A 70 6.044 -3.617 -3.412 1.00 0.00 O ATOM 1162 CB LEU A 70 6.955 -0.727 -1.896 1.00 0.00 C ATOM 1163 CG LEU A 70 6.558 -0.749 -0.404 1.00 0.00 C ATOM 1164 CD1 LEU A 70 6.123 -2.128 0.114 1.00 0.00 C ATOM 1165 CD2 LEU A 70 7.639 -0.153 0.504 1.00 0.00 C ATOM 0 H LEU A 70 9.176 -0.743 -2.936 1.00 0.00 H new ATOM 0 HA LEU A 70 7.680 -2.752 -1.697 1.00 0.00 H new ATOM 0 HB2 LEU A 70 7.660 0.091 -2.044 1.00 0.00 H new ATOM 0 HB3 LEU A 70 6.064 -0.489 -2.477 1.00 0.00 H new ATOM 0 HG LEU A 70 5.678 -0.108 -0.357 1.00 0.00 H new ATOM 0 HD11 LEU A 70 5.862 -2.054 1.170 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.257 -2.472 -0.451 1.00 0.00 H new ATOM 0 HD13 LEU A 70 6.941 -2.837 -0.008 1.00 0.00 H new ATOM 0 HD21 LEU A 70 7.306 -0.194 1.541 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.561 -0.724 0.396 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.820 0.884 0.222 1.00 0.00 H new ATOM 1177 N ASN A 71 6.622 -1.897 -4.737 1.00 0.00 N ATOM 1178 CA ASN A 71 5.738 -2.263 -5.840 1.00 0.00 C ATOM 1179 C ASN A 71 6.164 -3.558 -6.521 1.00 0.00 C ATOM 1180 O ASN A 71 5.326 -4.368 -6.898 1.00 0.00 O ATOM 1181 CB ASN A 71 5.687 -1.138 -6.871 1.00 0.00 C ATOM 1182 CG ASN A 71 4.619 -0.117 -6.495 1.00 0.00 C ATOM 1183 OD1 ASN A 71 3.427 -0.406 -6.495 1.00 0.00 O ATOM 1184 ND2 ASN A 71 5.020 1.078 -6.102 1.00 0.00 N ATOM 0 H ASN A 71 7.191 -1.072 -4.925 1.00 0.00 H new ATOM 0 HA ASN A 71 4.748 -2.423 -5.414 1.00 0.00 H new ATOM 0 HB2 ASN A 71 6.659 -0.650 -6.933 1.00 0.00 H new ATOM 0 HB3 ASN A 71 5.473 -1.550 -7.857 1.00 0.00 H new ATOM 0 HD21 ASN A 71 4.336 1.770 -5.795 1.00 0.00 H new ATOM 0 HD22 ASN A 71 6.013 1.309 -6.105 1.00 0.00 H new ATOM 1191 N ARG A 72 7.460 -3.796 -6.664 1.00 0.00 N ATOM 1192 CA ARG A 72 8.042 -5.067 -7.054 1.00 0.00 C ATOM 1193 C ARG A 72 7.496 -6.199 -6.183 1.00 0.00 C ATOM 1194 O ARG A 72 7.093 -7.235 -6.717 1.00 0.00 O ATOM 1195 CB ARG A 72 9.567 -4.868 -7.009 1.00 0.00 C ATOM 1196 CG ARG A 72 10.361 -6.138 -6.763 1.00 0.00 C ATOM 1197 CD ARG A 72 11.867 -5.867 -6.839 1.00 0.00 C ATOM 1198 NE ARG A 72 12.669 -6.888 -6.142 1.00 0.00 N ATOM 1199 CZ ARG A 72 13.983 -7.097 -6.338 1.00 0.00 C ATOM 1200 NH1 ARG A 72 14.681 -6.344 -7.187 1.00 0.00 N ATOM 1201 NH2 ARG A 72 14.605 -8.064 -5.680 1.00 0.00 N ATOM 0 H ARG A 72 8.163 -3.075 -6.504 1.00 0.00 H new ATOM 0 HA ARG A 72 7.771 -5.375 -8.064 1.00 0.00 H new ATOM 0 HB2 ARG A 72 9.891 -4.429 -7.952 1.00 0.00 H new ATOM 0 HB3 ARG A 72 9.804 -4.149 -6.225 1.00 0.00 H new ATOM 0 HG2 ARG A 72 10.110 -6.544 -5.783 1.00 0.00 H new ATOM 0 HG3 ARG A 72 10.086 -6.892 -7.501 1.00 0.00 H new ATOM 0 HD2 ARG A 72 12.171 -5.825 -7.885 1.00 0.00 H new ATOM 0 HD3 ARG A 72 12.077 -4.889 -6.406 1.00 0.00 H new ATOM 0 HE ARG A 72 12.193 -7.479 -5.461 1.00 0.00 H new ATOM 0 HH11 ARG A 72 14.219 -5.594 -7.701 1.00 0.00 H new ATOM 0 HH12 ARG A 72 15.677 -6.518 -7.322 1.00 0.00 H new ATOM 0 HH21 ARG A 72 14.087 -8.650 -5.025 1.00 0.00 H new ATOM 0 HH22 ARG A 72 15.602 -8.223 -5.829 1.00 0.00 H new ATOM 1215 N ALA A 73 7.428 -6.016 -4.864 1.00 0.00 N ATOM 1216 CA ALA A 73 6.866 -7.005 -3.953 1.00 0.00 C ATOM 1217 C ALA A 73 5.329 -7.075 -4.000 1.00 0.00 C ATOM 1218 O ALA A 73 4.746 -7.857 -3.242 1.00 0.00 O ATOM 1219 CB ALA A 73 7.354 -6.720 -2.528 1.00 0.00 C ATOM 0 H ALA A 73 7.764 -5.173 -4.399 1.00 0.00 H new ATOM 0 HA ALA A 73 7.218 -7.983 -4.280 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.935 -7.459 -1.845 1.00 0.00 H new ATOM 0 HB2 ALA A 73 8.442 -6.775 -2.498 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.033 -5.723 -2.226 1.00 0.00 H new ATOM 1225 N LYS A 74 4.628 -6.303 -4.849 1.00 0.00 N ATOM 1226 CA LYS A 74 3.172 -6.238 -4.799 1.00 0.00 C ATOM 1227 C LYS A 74 2.503 -7.563 -5.150 1.00 0.00 C ATOM 1228 O LYS A 74 1.311 -7.702 -4.878 1.00 0.00 O ATOM 1229 CB LYS A 74 2.627 -5.086 -5.652 1.00 0.00 C ATOM 1230 CG LYS A 74 2.434 -5.403 -7.146 1.00 0.00 C ATOM 1231 CD LYS A 74 1.784 -4.224 -7.891 1.00 0.00 C ATOM 1232 CE LYS A 74 0.602 -4.682 -8.760 1.00 0.00 C ATOM 1233 NZ LYS A 74 -0.635 -4.003 -8.373 1.00 0.00 N ATOM 0 H LYS A 74 5.051 -5.721 -5.572 1.00 0.00 H new ATOM 0 HA LYS A 74 2.913 -6.033 -3.760 1.00 0.00 H new ATOM 0 HB2 LYS A 74 1.669 -4.772 -5.238 1.00 0.00 H new ATOM 0 HB3 LYS A 74 3.306 -4.238 -5.563 1.00 0.00 H new ATOM 0 HG2 LYS A 74 3.399 -5.634 -7.598 1.00 0.00 H new ATOM 0 HG3 LYS A 74 1.811 -6.291 -7.254 1.00 0.00 H new ATOM 0 HD2 LYS A 74 1.439 -3.483 -7.169 1.00 0.00 H new ATOM 0 HD3 LYS A 74 2.529 -3.735 -8.519 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.818 -4.479 -9.809 1.00 0.00 H new ATOM 0 HE3 LYS A 74 0.473 -5.760 -8.664 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -1.388 -4.241 -9.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.916 -4.310 -7.420 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -0.481 -2.974 -8.374 1.00 0.00 H new ATOM 1247 N GLY A 75 3.222 -8.502 -5.772 1.00 0.00 N ATOM 1248 CA GLY A 75 2.731 -9.847 -6.008 1.00 0.00 C ATOM 1249 C GLY A 75 2.419 -10.481 -4.665 1.00 0.00 C ATOM 1250 O GLY A 75 1.256 -10.580 -4.283 1.00 0.00 O ATOM 0 H GLY A 75 4.165 -8.341 -6.125 1.00 0.00 H new ATOM 0 HA2 GLY A 75 1.838 -9.821 -6.633 1.00 0.00 H new ATOM 0 HA3 GLY A 75 3.477 -10.436 -6.542 1.00 0.00 H new ATOM 1254 N PHE A 76 3.476 -10.800 -3.920 1.00 0.00 N ATOM 1255 CA PHE A 76 3.442 -11.350 -2.571 1.00 0.00 C ATOM 1256 C PHE A 76 2.429 -10.607 -1.688 1.00 0.00 C ATOM 1257 O PHE A 76 1.542 -11.247 -1.120 1.00 0.00 O ATOM 1258 CB PHE A 76 4.880 -11.269 -2.029 1.00 0.00 C ATOM 1259 CG PHE A 76 5.072 -11.632 -0.573 1.00 0.00 C ATOM 1260 CD1 PHE A 76 4.956 -10.635 0.414 1.00 0.00 C ATOM 1261 CD2 PHE A 76 5.433 -12.941 -0.202 1.00 0.00 C ATOM 1262 CE1 PHE A 76 5.205 -10.947 1.758 1.00 0.00 C ATOM 1263 CE2 PHE A 76 5.674 -13.252 1.149 1.00 0.00 C ATOM 1264 CZ PHE A 76 5.565 -12.251 2.129 1.00 0.00 C ATOM 0 H PHE A 76 4.429 -10.674 -4.262 1.00 0.00 H new ATOM 0 HA PHE A 76 3.104 -12.386 -2.573 1.00 0.00 H new ATOM 0 HB2 PHE A 76 5.509 -11.925 -2.630 1.00 0.00 H new ATOM 0 HB3 PHE A 76 5.245 -10.253 -2.179 1.00 0.00 H new ATOM 0 HD1 PHE A 76 4.675 -9.630 0.136 1.00 0.00 H new ATOM 0 HD2 PHE A 76 5.525 -13.709 -0.956 1.00 0.00 H new ATOM 0 HE1 PHE A 76 5.119 -10.179 2.512 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.942 -14.259 1.432 1.00 0.00 H new ATOM 0 HZ PHE A 76 5.758 -12.485 3.166 1.00 0.00 H new ATOM 1274 N PHE A 77 2.502 -9.271 -1.610 1.00 0.00 N ATOM 1275 CA PHE A 77 1.571 -8.481 -0.802 1.00 0.00 C ATOM 1276 C PHE A 77 0.114 -8.777 -1.170 1.00 0.00 C ATOM 1277 O PHE A 77 -0.682 -9.127 -0.300 1.00 0.00 O ATOM 1278 CB PHE A 77 1.858 -6.973 -0.922 1.00 0.00 C ATOM 1279 CG PHE A 77 2.997 -6.463 -0.058 1.00 0.00 C ATOM 1280 CD1 PHE A 77 2.891 -6.564 1.342 1.00 0.00 C ATOM 1281 CD2 PHE A 77 4.135 -5.854 -0.624 1.00 0.00 C ATOM 1282 CE1 PHE A 77 3.919 -6.083 2.169 1.00 0.00 C ATOM 1283 CE2 PHE A 77 5.171 -5.392 0.206 1.00 0.00 C ATOM 1284 CZ PHE A 77 5.060 -5.500 1.602 1.00 0.00 C ATOM 0 H PHE A 77 3.202 -8.715 -2.101 1.00 0.00 H new ATOM 0 HA PHE A 77 1.725 -8.775 0.236 1.00 0.00 H new ATOM 0 HB2 PHE A 77 2.082 -6.743 -1.964 1.00 0.00 H new ATOM 0 HB3 PHE A 77 0.952 -6.425 -0.662 1.00 0.00 H new ATOM 0 HD1 PHE A 77 2.014 -7.014 1.783 1.00 0.00 H new ATOM 0 HD2 PHE A 77 4.211 -5.742 -1.696 1.00 0.00 H new ATOM 0 HE1 PHE A 77 3.830 -6.162 3.242 1.00 0.00 H new ATOM 0 HE2 PHE A 77 6.055 -4.952 -0.231 1.00 0.00 H new ATOM 0 HZ PHE A 77 5.853 -5.134 2.237 1.00 0.00 H new ATOM 1294 N ARG A 78 -0.262 -8.633 -2.443 1.00 0.00 N ATOM 1295 CA ARG A 78 -1.649 -8.801 -2.875 1.00 0.00 C ATOM 1296 C ARG A 78 -2.102 -10.250 -2.731 1.00 0.00 C ATOM 1297 O ARG A 78 -3.273 -10.488 -2.446 1.00 0.00 O ATOM 1298 CB ARG A 78 -1.740 -8.393 -4.342 1.00 0.00 C ATOM 1299 CG ARG A 78 -3.120 -7.982 -4.841 1.00 0.00 C ATOM 1300 CD ARG A 78 -3.032 -7.438 -6.279 1.00 0.00 C ATOM 1301 NE ARG A 78 -2.912 -8.481 -7.310 1.00 0.00 N ATOM 1302 CZ ARG A 78 -1.898 -9.279 -7.665 1.00 0.00 C ATOM 1303 NH1 ARG A 78 -0.668 -9.151 -7.175 1.00 0.00 N ATOM 1304 NH2 ARG A 78 -2.139 -10.245 -8.535 1.00 0.00 N ATOM 0 H ARG A 78 0.383 -8.398 -3.198 1.00 0.00 H new ATOM 0 HA ARG A 78 -2.294 -8.182 -2.252 1.00 0.00 H new ATOM 0 HB2 ARG A 78 -1.054 -7.563 -4.510 1.00 0.00 H new ATOM 0 HB3 ARG A 78 -1.389 -9.226 -4.952 1.00 0.00 H new ATOM 0 HG2 ARG A 78 -3.794 -8.838 -4.810 1.00 0.00 H new ATOM 0 HG3 ARG A 78 -3.540 -7.221 -4.183 1.00 0.00 H new ATOM 0 HD2 ARG A 78 -3.920 -6.840 -6.484 1.00 0.00 H new ATOM 0 HD3 ARG A 78 -2.174 -6.770 -6.351 1.00 0.00 H new ATOM 0 HE ARG A 78 -3.761 -8.622 -7.857 1.00 0.00 H new ATOM 0 HH11 ARG A 78 -0.463 -8.418 -6.496 1.00 0.00 H new ATOM 0 HH12 ARG A 78 0.070 -9.786 -7.479 1.00 0.00 H new ATOM 0 HH21 ARG A 78 -3.077 -10.366 -8.916 1.00 0.00 H new ATOM 0 HH22 ARG A 78 -1.386 -10.869 -8.825 1.00 0.00 H new ATOM 1318 N THR A 79 -1.203 -11.213 -2.935 1.00 0.00 N ATOM 1319 CA THR A 79 -1.490 -12.628 -2.785 1.00 0.00 C ATOM 1320 C THR A 79 -1.877 -12.956 -1.334 1.00 0.00 C ATOM 1321 O THR A 79 -2.727 -13.822 -1.111 1.00 0.00 O ATOM 1322 CB THR A 79 -0.287 -13.432 -3.318 1.00 0.00 C ATOM 1323 OG1 THR A 79 -0.088 -13.188 -4.704 1.00 0.00 O ATOM 1324 CG2 THR A 79 -0.481 -14.934 -3.160 1.00 0.00 C ATOM 0 H THR A 79 -0.241 -11.022 -3.214 1.00 0.00 H new ATOM 0 HA THR A 79 -2.359 -12.915 -3.377 1.00 0.00 H new ATOM 0 HB THR A 79 0.571 -13.104 -2.731 1.00 0.00 H new ATOM 0 HG1 THR A 79 0.352 -12.321 -4.824 1.00 0.00 H new ATOM 0 HG21 THR A 79 0.393 -15.457 -3.550 1.00 0.00 H new ATOM 0 HG22 THR A 79 -0.607 -15.176 -2.105 1.00 0.00 H new ATOM 0 HG23 THR A 79 -1.367 -15.247 -3.712 1.00 0.00 H new ATOM 1332 N PHE A 80 -1.334 -12.228 -0.356 1.00 0.00 N ATOM 1333 CA PHE A 80 -1.767 -12.321 1.033 1.00 0.00 C ATOM 1334 C PHE A 80 -3.175 -11.752 1.204 1.00 0.00 C ATOM 1335 O PHE A 80 -4.021 -12.388 1.834 1.00 0.00 O ATOM 1336 CB PHE A 80 -0.788 -11.602 1.966 1.00 0.00 C ATOM 1337 CG PHE A 80 -1.125 -11.758 3.437 1.00 0.00 C ATOM 1338 CD1 PHE A 80 -1.193 -13.039 4.022 1.00 0.00 C ATOM 1339 CD2 PHE A 80 -1.358 -10.619 4.230 1.00 0.00 C ATOM 1340 CE1 PHE A 80 -1.462 -13.182 5.394 1.00 0.00 C ATOM 1341 CE2 PHE A 80 -1.612 -10.770 5.603 1.00 0.00 C ATOM 1342 CZ PHE A 80 -1.658 -12.042 6.189 1.00 0.00 C ATOM 0 H PHE A 80 -0.581 -11.557 -0.509 1.00 0.00 H new ATOM 0 HA PHE A 80 -1.784 -13.377 1.303 1.00 0.00 H new ATOM 0 HB2 PHE A 80 0.217 -11.985 1.789 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -0.773 -10.541 1.716 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -1.037 -13.916 3.412 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -1.342 -9.635 3.785 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -1.518 -14.166 5.835 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -1.774 -9.895 6.215 1.00 0.00 H new ATOM 0 HZ PHE A 80 -1.843 -12.145 7.248 1.00 0.00 H new ATOM 1352 N ILE A 81 -3.460 -10.571 0.644 1.00 0.00 N ATOM 1353 CA ILE A 81 -4.789 -9.966 0.775 1.00 0.00 C ATOM 1354 C ILE A 81 -5.825 -10.913 0.187 1.00 0.00 C ATOM 1355 O ILE A 81 -6.820 -11.212 0.838 1.00 0.00 O ATOM 1356 CB ILE A 81 -4.899 -8.575 0.117 1.00 0.00 C ATOM 1357 CG1 ILE A 81 -3.660 -7.720 0.449 1.00 0.00 C ATOM 1358 CG2 ILE A 81 -6.230 -7.919 0.549 1.00 0.00 C ATOM 1359 CD1 ILE A 81 -3.863 -6.232 0.204 1.00 0.00 C ATOM 0 H ILE A 81 -2.795 -10.020 0.101 1.00 0.00 H new ATOM 0 HA ILE A 81 -4.971 -9.809 1.838 1.00 0.00 H new ATOM 0 HB ILE A 81 -4.915 -8.666 -0.969 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -3.392 -7.874 1.494 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -2.818 -8.067 -0.150 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -6.317 -6.935 0.089 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -7.064 -8.544 0.230 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -6.249 -7.815 1.634 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.950 -5.693 0.459 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -4.101 -6.065 -0.847 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -4.683 -5.870 0.824 1.00 0.00 H new ATOM 1371 N ALA A 82 -5.572 -11.410 -1.024 1.00 0.00 N ATOM 1372 CA ALA A 82 -6.477 -12.304 -1.720 1.00 0.00 C ATOM 1373 C ALA A 82 -6.515 -13.705 -1.092 1.00 0.00 C ATOM 1374 O ALA A 82 -7.287 -14.530 -1.565 1.00 0.00 O ATOM 1375 CB ALA A 82 -6.063 -12.380 -3.193 1.00 0.00 C ATOM 0 H ALA A 82 -4.723 -11.197 -1.548 1.00 0.00 H new ATOM 0 HA ALA A 82 -7.487 -11.903 -1.636 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -6.737 -13.050 -3.726 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -6.113 -11.386 -3.637 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -5.043 -12.758 -3.265 1.00 0.00 H new ATOM 1381 N LYS A 83 -5.690 -14.037 -0.089 1.00 0.00 N ATOM 1382 CA LYS A 83 -5.950 -15.198 0.768 1.00 0.00 C ATOM 1383 C LYS A 83 -7.051 -14.842 1.762 1.00 0.00 C ATOM 1384 O LYS A 83 -7.970 -15.638 1.956 1.00 0.00 O ATOM 1385 CB LYS A 83 -4.672 -15.673 1.490 1.00 0.00 C ATOM 1386 CG LYS A 83 -4.994 -16.655 2.629 1.00 0.00 C ATOM 1387 CD LYS A 83 -3.742 -17.303 3.215 1.00 0.00 C ATOM 1388 CE LYS A 83 -3.392 -18.560 2.412 1.00 0.00 C ATOM 1389 NZ LYS A 83 -2.374 -19.398 3.077 1.00 0.00 N ATOM 0 H LYS A 83 -4.843 -13.520 0.146 1.00 0.00 H new ATOM 0 HA LYS A 83 -6.280 -16.031 0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -4.006 -16.153 0.773 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -4.139 -14.811 1.892 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.529 -16.127 3.418 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.661 -17.432 2.256 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -2.910 -16.599 3.190 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -3.909 -17.562 4.261 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.296 -19.149 2.256 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.028 -18.267 1.427 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -2.175 -20.234 2.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -1.500 -18.848 3.203 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -2.728 -19.703 4.006 1.00 0.00 H new ATOM 1403 N ASN A 84 -6.883 -13.701 2.428 1.00 0.00 N ATOM 1404 CA ASN A 84 -7.725 -13.221 3.510 1.00 0.00 C ATOM 1405 C ASN A 84 -9.109 -12.864 2.974 1.00 0.00 C ATOM 1406 O ASN A 84 -10.075 -13.585 3.216 1.00 0.00 O ATOM 1407 CB ASN A 84 -7.072 -12.014 4.214 1.00 0.00 C ATOM 1408 CG ASN A 84 -5.920 -12.388 5.123 1.00 0.00 C ATOM 1409 OD1 ASN A 84 -6.099 -12.562 6.323 1.00 0.00 O ATOM 1410 ND2 ASN A 84 -4.710 -12.484 4.606 1.00 0.00 N ATOM 0 H ASN A 84 -6.119 -13.060 2.214 1.00 0.00 H new ATOM 0 HA ASN A 84 -7.836 -14.014 4.249 1.00 0.00 H new ATOM 0 HB2 ASN A 84 -6.714 -11.314 3.459 1.00 0.00 H new ATOM 0 HB3 ASN A 84 -7.830 -11.492 4.799 1.00 0.00 H new ATOM 0 HD21 ASN A 84 -3.915 -12.704 5.206 1.00 0.00 H new ATOM 0 HD22 ASN A 84 -4.569 -12.338 3.606 1.00 0.00 H new ATOM 1417 N LEU A 85 -9.213 -11.741 2.264 1.00 0.00 N ATOM 1418 CA LEU A 85 -10.454 -11.232 1.697 1.00 0.00 C ATOM 1419 C LEU A 85 -10.848 -12.062 0.469 1.00 0.00 C ATOM 1420 O LEU A 85 -10.092 -12.925 0.024 1.00 0.00 O ATOM 1421 CB LEU A 85 -10.265 -9.736 1.356 1.00 0.00 C ATOM 1422 CG LEU A 85 -11.569 -8.916 1.451 1.00 0.00 C ATOM 1423 CD1 LEU A 85 -11.810 -8.379 2.867 1.00 0.00 C ATOM 1424 CD2 LEU A 85 -11.550 -7.748 0.469 1.00 0.00 C ATOM 0 H LEU A 85 -8.410 -11.145 2.063 1.00 0.00 H new ATOM 0 HA LEU A 85 -11.269 -11.319 2.415 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -9.525 -9.308 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -9.863 -9.649 0.347 1.00 0.00 H new ATOM 0 HG LEU A 85 -12.383 -9.595 1.197 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -12.738 -7.808 2.887 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -11.882 -9.213 3.565 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -10.981 -7.733 3.157 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -12.480 -7.185 0.555 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -10.708 -7.095 0.697 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -11.449 -8.129 -0.547 1.00 0.00 H new ATOM 1436 N ARG A 86 -12.022 -11.757 -0.093 1.00 0.00 N ATOM 1437 CA ARG A 86 -12.651 -12.416 -1.237 1.00 0.00 C ATOM 1438 C ARG A 86 -11.639 -12.673 -2.350 1.00 0.00 C ATOM 1439 O ARG A 86 -11.090 -11.727 -2.921 1.00 0.00 O ATOM 1440 CB ARG A 86 -13.855 -11.573 -1.704 1.00 0.00 C ATOM 1441 CG ARG A 86 -13.501 -10.150 -2.191 1.00 0.00 C ATOM 1442 CD ARG A 86 -14.630 -9.149 -1.931 1.00 0.00 C ATOM 1443 NE ARG A 86 -15.878 -9.543 -2.599 1.00 0.00 N ATOM 1444 CZ ARG A 86 -16.295 -9.186 -3.815 1.00 0.00 C ATOM 1445 NH1 ARG A 86 -15.552 -8.414 -4.603 1.00 0.00 N ATOM 1446 NH2 ARG A 86 -17.476 -9.623 -4.228 1.00 0.00 N ATOM 0 H ARG A 86 -12.594 -10.992 0.265 1.00 0.00 H new ATOM 0 HA ARG A 86 -13.021 -13.398 -0.941 1.00 0.00 H new ATOM 0 HB2 ARG A 86 -14.360 -12.103 -2.512 1.00 0.00 H new ATOM 0 HB3 ARG A 86 -14.566 -11.494 -0.881 1.00 0.00 H new ATOM 0 HG2 ARG A 86 -12.595 -9.811 -1.688 1.00 0.00 H new ATOM 0 HG3 ARG A 86 -13.282 -10.178 -3.258 1.00 0.00 H new ATOM 0 HD2 ARG A 86 -14.803 -9.068 -0.858 1.00 0.00 H new ATOM 0 HD3 ARG A 86 -14.327 -8.162 -2.281 1.00 0.00 H new ATOM 0 HE ARG A 86 -16.496 -10.160 -2.073 1.00 0.00 H new ATOM 0 HH11 ARG A 86 -14.643 -8.082 -4.281 1.00 0.00 H new ATOM 0 HH12 ARG A 86 -15.891 -8.154 -5.529 1.00 0.00 H new ATOM 0 HH21 ARG A 86 -18.041 -10.217 -3.621 1.00 0.00 H new ATOM 0 HH22 ARG A 86 -17.820 -9.366 -5.153 1.00 0.00 H new ATOM 1460 N LEU A 87 -11.325 -13.941 -2.609 1.00 0.00 N ATOM 1461 CA LEU A 87 -10.285 -14.275 -3.568 1.00 0.00 C ATOM 1462 C LEU A 87 -10.643 -14.000 -5.019 1.00 0.00 C ATOM 1463 O LEU A 87 -11.756 -13.578 -5.331 1.00 0.00 O ATOM 1464 CB LEU A 87 -9.674 -15.646 -3.369 1.00 0.00 C ATOM 1465 CG LEU A 87 -10.528 -16.914 -3.498 1.00 0.00 C ATOM 1466 CD1 LEU A 87 -11.499 -16.849 -4.664 1.00 0.00 C ATOM 1467 CD2 LEU A 87 -9.583 -18.101 -3.689 1.00 0.00 C ATOM 0 H LEU A 87 -11.774 -14.745 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 87 -9.495 -13.562 -3.332 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -8.855 -15.738 -4.082 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -9.232 -15.658 -2.373 1.00 0.00 H new ATOM 0 HG LEU A 87 -11.127 -17.018 -2.593 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -12.077 -17.772 -4.708 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -12.174 -16.004 -4.529 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -10.944 -16.724 -5.594 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -10.165 -19.018 -3.784 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -8.990 -17.953 -4.592 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -8.919 -18.180 -2.828 1.00 0.00 H new ATOM 1479 N TYR A 88 -9.664 -14.236 -5.905 1.00 0.00 N ATOM 1480 CA TYR A 88 -9.689 -14.053 -7.350 1.00 0.00 C ATOM 1481 C TYR A 88 -9.817 -12.580 -7.739 1.00 0.00 C ATOM 1482 O TYR A 88 -9.540 -12.214 -8.887 1.00 0.00 O ATOM 1483 CB TYR A 88 -10.744 -15.000 -7.952 1.00 0.00 C ATOM 1484 CG TYR A 88 -10.923 -14.972 -9.452 1.00 0.00 C ATOM 1485 CD1 TYR A 88 -10.055 -15.690 -10.296 1.00 0.00 C ATOM 1486 CD2 TYR A 88 -12.017 -14.284 -10.003 1.00 0.00 C ATOM 1487 CE1 TYR A 88 -10.282 -15.713 -11.684 1.00 0.00 C ATOM 1488 CE2 TYR A 88 -12.220 -14.250 -11.387 1.00 0.00 C ATOM 1489 CZ TYR A 88 -11.364 -14.989 -12.234 1.00 0.00 C ATOM 1490 OH TYR A 88 -11.565 -14.975 -13.578 1.00 0.00 O ATOM 0 H TYR A 88 -8.760 -14.590 -5.594 1.00 0.00 H new ATOM 0 HA TYR A 88 -8.733 -14.337 -7.791 1.00 0.00 H new ATOM 0 HB2 TYR A 88 -10.488 -16.019 -7.662 1.00 0.00 H new ATOM 0 HB3 TYR A 88 -11.705 -14.770 -7.493 1.00 0.00 H new ATOM 0 HD1 TYR A 88 -9.214 -16.224 -9.878 1.00 0.00 H new ATOM 0 HD2 TYR A 88 -12.710 -13.775 -9.350 1.00 0.00 H new ATOM 0 HE1 TYR A 88 -9.630 -16.283 -12.329 1.00 0.00 H new ATOM 0 HE2 TYR A 88 -13.025 -13.663 -11.805 1.00 0.00 H new ATOM 0 HH TYR A 88 -12.353 -14.430 -13.785 1.00 0.00 H new ATOM 1500 N VAL A 89 -10.159 -11.721 -6.778 1.00 0.00 N ATOM 1501 CA VAL A 89 -10.641 -10.372 -7.041 1.00 0.00 C ATOM 1502 C VAL A 89 -10.130 -9.401 -5.977 1.00 0.00 C ATOM 1503 O VAL A 89 -10.768 -9.182 -4.944 1.00 0.00 O ATOM 1504 CB VAL A 89 -12.172 -10.370 -7.176 1.00 0.00 C ATOM 1505 CG1 VAL A 89 -12.604 -9.006 -7.691 1.00 0.00 C ATOM 1506 CG2 VAL A 89 -12.667 -11.409 -8.188 1.00 0.00 C ATOM 0 H VAL A 89 -10.107 -11.949 -5.785 1.00 0.00 H new ATOM 0 HA VAL A 89 -10.242 -10.022 -7.993 1.00 0.00 H new ATOM 0 HB VAL A 89 -12.590 -10.604 -6.197 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -13.689 -8.983 -7.794 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -12.290 -8.235 -6.987 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -12.143 -8.821 -8.661 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -13.755 -11.369 -8.248 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -12.241 -11.194 -9.168 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -12.358 -12.404 -7.869 1.00 0.00 H new ATOM 1516 N ALA A 90 -8.988 -8.787 -6.259 1.00 0.00 N ATOM 1517 CA ALA A 90 -8.387 -7.720 -5.460 1.00 0.00 C ATOM 1518 C ALA A 90 -8.013 -6.533 -6.372 1.00 0.00 C ATOM 1519 O ALA A 90 -7.740 -6.744 -7.558 1.00 0.00 O ATOM 1520 CB ALA A 90 -7.166 -8.274 -4.703 1.00 0.00 C ATOM 0 H ALA A 90 -8.432 -9.025 -7.080 1.00 0.00 H new ATOM 0 HA ALA A 90 -9.101 -7.354 -4.722 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -6.717 -7.480 -4.107 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -7.482 -9.086 -4.047 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -6.434 -8.649 -5.418 1.00 0.00 H new ATOM 1526 N PRO A 91 -7.976 -5.289 -5.858 1.00 0.00 N ATOM 1527 CA PRO A 91 -7.479 -4.123 -6.578 1.00 0.00 C ATOM 1528 C PRO A 91 -5.978 -4.206 -6.837 1.00 0.00 C ATOM 1529 O PRO A 91 -5.228 -4.898 -6.147 1.00 0.00 O ATOM 1530 CB PRO A 91 -7.748 -2.900 -5.690 1.00 0.00 C ATOM 1531 CG PRO A 91 -7.970 -3.483 -4.304 1.00 0.00 C ATOM 1532 CD PRO A 91 -8.461 -4.907 -4.548 1.00 0.00 C ATOM 0 HA PRO A 91 -7.980 -4.061 -7.544 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -6.906 -2.208 -5.700 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -8.621 -2.344 -6.032 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -7.049 -3.478 -3.721 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -8.704 -2.903 -3.745 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -8.084 -5.584 -3.782 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -9.549 -4.955 -4.508 1.00 0.00 H new ATOM 1540 N GLU A 92 -5.530 -3.378 -7.771 1.00 0.00 N ATOM 1541 CA GLU A 92 -4.135 -3.056 -7.984 1.00 0.00 C ATOM 1542 C GLU A 92 -3.560 -2.407 -6.726 1.00 0.00 C ATOM 1543 O GLU A 92 -3.883 -1.265 -6.403 1.00 0.00 O ATOM 1544 CB GLU A 92 -4.055 -2.112 -9.186 1.00 0.00 C ATOM 1545 CG GLU A 92 -2.680 -2.207 -9.835 1.00 0.00 C ATOM 1546 CD GLU A 92 -2.564 -1.464 -11.155 1.00 0.00 C ATOM 1547 OE1 GLU A 92 -3.253 -1.848 -12.124 1.00 0.00 O ATOM 1548 OE2 GLU A 92 -1.685 -0.576 -11.236 1.00 0.00 O ATOM 0 H GLU A 92 -6.153 -2.898 -8.421 1.00 0.00 H new ATOM 0 HA GLU A 92 -3.549 -3.953 -8.187 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -4.827 -2.368 -9.912 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -4.245 -1.087 -8.867 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -1.935 -1.814 -9.143 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -2.440 -3.257 -9.999 1.00 0.00 H new ATOM 1555 N ILE A 93 -2.676 -3.136 -6.042 1.00 0.00 N ATOM 1556 CA ILE A 93 -1.791 -2.569 -5.037 1.00 0.00 C ATOM 1557 C ILE A 93 -0.962 -1.476 -5.699 1.00 0.00 C ATOM 1558 O ILE A 93 -0.434 -1.699 -6.794 1.00 0.00 O ATOM 1559 CB ILE A 93 -0.872 -3.670 -4.461 1.00 0.00 C ATOM 1560 CG1 ILE A 93 -1.642 -4.769 -3.716 1.00 0.00 C ATOM 1561 CG2 ILE A 93 0.268 -3.142 -3.571 1.00 0.00 C ATOM 1562 CD1 ILE A 93 -2.391 -4.286 -2.478 1.00 0.00 C ATOM 0 H ILE A 93 -2.558 -4.140 -6.174 1.00 0.00 H new ATOM 0 HA ILE A 93 -2.370 -2.149 -4.215 1.00 0.00 H new ATOM 0 HB ILE A 93 -0.414 -4.106 -5.349 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -2.356 -5.225 -4.402 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.941 -5.550 -3.420 1.00 0.00 H new ATOM 0 HG21 ILE A 93 0.864 -3.979 -3.209 1.00 0.00 H new ATOM 0 HG22 ILE A 93 0.901 -2.470 -4.151 1.00 0.00 H new ATOM 0 HG23 ILE A 93 -0.153 -2.602 -2.723 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.907 -5.127 -2.014 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.683 -3.858 -1.768 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -3.119 -3.528 -2.766 1.00 0.00 H new ATOM 1574 N ARG A 94 -0.807 -0.358 -5.001 1.00 0.00 N ATOM 1575 CA ARG A 94 0.122 0.727 -5.261 1.00 0.00 C ATOM 1576 C ARG A 94 0.626 1.219 -3.903 1.00 0.00 C ATOM 1577 O ARG A 94 -0.100 1.111 -2.911 1.00 0.00 O ATOM 1578 CB ARG A 94 -0.633 1.857 -5.967 1.00 0.00 C ATOM 1579 CG ARG A 94 -1.086 1.556 -7.405 1.00 0.00 C ATOM 1580 CD ARG A 94 -2.015 2.698 -7.815 1.00 0.00 C ATOM 1581 NE ARG A 94 -2.304 2.761 -9.252 1.00 0.00 N ATOM 1582 CZ ARG A 94 -3.106 3.697 -9.775 1.00 0.00 C ATOM 1583 NH1 ARG A 94 -3.861 4.460 -8.981 1.00 0.00 N ATOM 1584 NH2 ARG A 94 -3.141 3.842 -11.091 1.00 0.00 N ATOM 0 H ARG A 94 -1.374 -0.175 -4.173 1.00 0.00 H new ATOM 0 HA ARG A 94 0.953 0.404 -5.888 1.00 0.00 H new ATOM 0 HB2 ARG A 94 -1.512 2.109 -5.373 1.00 0.00 H new ATOM 0 HB3 ARG A 94 0.005 2.741 -5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -0.230 1.493 -8.076 1.00 0.00 H new ATOM 0 HG3 ARG A 94 -1.603 0.598 -7.456 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -2.955 2.598 -7.272 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -1.568 3.642 -7.505 1.00 0.00 H new ATOM 0 HE ARG A 94 -1.881 2.070 -9.872 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -3.829 4.332 -7.970 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -4.470 5.171 -9.386 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.564 3.247 -11.685 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -3.745 4.549 -11.510 1.00 0.00 H new ATOM 1598 N PHE A 95 1.817 1.803 -3.853 1.00 0.00 N ATOM 1599 CA PHE A 95 2.396 2.380 -2.647 1.00 0.00 C ATOM 1600 C PHE A 95 2.741 3.830 -2.930 1.00 0.00 C ATOM 1601 O PHE A 95 3.582 4.104 -3.781 1.00 0.00 O ATOM 1602 CB PHE A 95 3.627 1.584 -2.226 1.00 0.00 C ATOM 1603 CG PHE A 95 3.292 0.219 -1.669 1.00 0.00 C ATOM 1604 CD1 PHE A 95 3.019 0.072 -0.296 1.00 0.00 C ATOM 1605 CD2 PHE A 95 3.283 -0.903 -2.514 1.00 0.00 C ATOM 1606 CE1 PHE A 95 2.714 -1.201 0.221 1.00 0.00 C ATOM 1607 CE2 PHE A 95 3.021 -2.176 -1.987 1.00 0.00 C ATOM 1608 CZ PHE A 95 2.718 -2.322 -0.624 1.00 0.00 C ATOM 0 H PHE A 95 2.421 1.890 -4.670 1.00 0.00 H new ATOM 0 HA PHE A 95 1.684 2.338 -1.822 1.00 0.00 H new ATOM 0 HB2 PHE A 95 4.287 1.467 -3.085 1.00 0.00 H new ATOM 0 HB3 PHE A 95 4.179 2.150 -1.475 1.00 0.00 H new ATOM 0 HD1 PHE A 95 3.043 0.932 0.357 1.00 0.00 H new ATOM 0 HD2 PHE A 95 3.478 -0.785 -3.570 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.477 -1.315 1.268 1.00 0.00 H new ATOM 0 HE2 PHE A 95 3.052 -3.044 -2.629 1.00 0.00 H new ATOM 0 HZ PHE A 95 2.488 -3.299 -0.225 1.00 0.00 H new ATOM 1618 N TYR A 96 2.063 4.752 -2.261 1.00 0.00 N ATOM 1619 CA TYR A 96 2.298 6.182 -2.329 1.00 0.00 C ATOM 1620 C TYR A 96 2.923 6.592 -1.004 1.00 0.00 C ATOM 1621 O TYR A 96 2.507 6.180 0.074 1.00 0.00 O ATOM 1622 CB TYR A 96 0.972 6.917 -2.550 1.00 0.00 C ATOM 1623 CG TYR A 96 0.399 6.729 -3.934 1.00 0.00 C ATOM 1624 CD1 TYR A 96 -0.343 5.571 -4.213 1.00 0.00 C ATOM 1625 CD2 TYR A 96 0.604 7.698 -4.938 1.00 0.00 C ATOM 1626 CE1 TYR A 96 -0.883 5.384 -5.492 1.00 0.00 C ATOM 1627 CE2 TYR A 96 0.070 7.506 -6.224 1.00 0.00 C ATOM 1628 CZ TYR A 96 -0.667 6.335 -6.511 1.00 0.00 C ATOM 1629 OH TYR A 96 -1.153 6.114 -7.762 1.00 0.00 O ATOM 0 H TYR A 96 1.300 4.509 -1.628 1.00 0.00 H new ATOM 0 HA TYR A 96 2.959 6.435 -3.158 1.00 0.00 H new ATOM 0 HB2 TYR A 96 0.246 6.568 -1.815 1.00 0.00 H new ATOM 0 HB3 TYR A 96 1.122 7.981 -2.370 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -0.497 4.827 -3.445 1.00 0.00 H new ATOM 0 HD2 TYR A 96 1.173 8.590 -4.718 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -1.471 4.502 -5.700 1.00 0.00 H new ATOM 0 HE2 TYR A 96 0.223 8.251 -6.991 1.00 0.00 H new ATOM 0 HH TYR A 96 -0.917 6.867 -8.343 1.00 0.00 H new ATOM 1639 N GLU A 97 3.959 7.404 -1.050 1.00 0.00 N ATOM 1640 CA GLU A 97 4.740 7.779 0.115 1.00 0.00 C ATOM 1641 C GLU A 97 4.048 9.039 0.671 1.00 0.00 C ATOM 1642 O GLU A 97 4.416 10.178 0.375 1.00 0.00 O ATOM 1643 CB GLU A 97 6.222 8.037 -0.261 1.00 0.00 C ATOM 1644 CG GLU A 97 6.749 7.341 -1.531 1.00 0.00 C ATOM 1645 CD GLU A 97 6.342 8.056 -2.829 1.00 0.00 C ATOM 1646 OE1 GLU A 97 6.973 9.070 -3.217 1.00 0.00 O ATOM 1647 OE2 GLU A 97 5.301 7.693 -3.418 1.00 0.00 O ATOM 0 H GLU A 97 4.290 7.831 -1.915 1.00 0.00 H new ATOM 0 HA GLU A 97 4.774 6.986 0.862 1.00 0.00 H new ATOM 0 HB2 GLU A 97 6.360 9.112 -0.381 1.00 0.00 H new ATOM 0 HB3 GLU A 97 6.844 7.728 0.579 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.836 7.284 -1.481 1.00 0.00 H new ATOM 0 HG3 GLU A 97 6.377 6.317 -1.557 1.00 0.00 H new ATOM 1654 N ASP A 98 2.927 8.806 1.349 1.00 0.00 N ATOM 1655 CA ASP A 98 2.125 9.735 2.149 1.00 0.00 C ATOM 1656 C ASP A 98 1.911 11.097 1.478 1.00 0.00 C ATOM 1657 O ASP A 98 2.456 12.115 1.902 1.00 0.00 O ATOM 1658 CB ASP A 98 2.620 9.802 3.599 1.00 0.00 C ATOM 1659 CG ASP A 98 1.649 10.597 4.469 1.00 0.00 C ATOM 1660 OD1 ASP A 98 0.436 10.276 4.448 1.00 0.00 O ATOM 1661 OD2 ASP A 98 2.091 11.449 5.270 1.00 0.00 O ATOM 0 H ASP A 98 2.516 7.873 1.354 1.00 0.00 H new ATOM 0 HA ASP A 98 1.117 9.324 2.202 1.00 0.00 H new ATOM 0 HB2 ASP A 98 2.729 8.793 3.997 1.00 0.00 H new ATOM 0 HB3 ASP A 98 3.606 10.266 3.630 1.00 0.00 H new ATOM 1666 N LYS A 99 1.176 11.084 0.360 1.00 0.00 N ATOM 1667 CA LYS A 99 1.125 12.189 -0.608 1.00 0.00 C ATOM 1668 C LYS A 99 -0.228 12.348 -1.287 1.00 0.00 C ATOM 1669 O LYS A 99 -0.638 13.476 -1.552 1.00 0.00 O ATOM 1670 CB LYS A 99 2.215 11.974 -1.669 1.00 0.00 C ATOM 1671 CG LYS A 99 2.023 10.675 -2.466 1.00 0.00 C ATOM 1672 CD LYS A 99 3.302 10.077 -3.041 1.00 0.00 C ATOM 1673 CE LYS A 99 3.867 10.846 -4.227 1.00 0.00 C ATOM 1674 NZ LYS A 99 4.898 10.038 -4.895 1.00 0.00 N ATOM 0 H LYS A 99 0.589 10.292 0.097 1.00 0.00 H new ATOM 0 HA LYS A 99 1.294 13.109 -0.049 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.218 12.820 -2.357 1.00 0.00 H new ATOM 0 HB3 LYS A 99 3.190 11.956 -1.183 1.00 0.00 H new ATOM 0 HG2 LYS A 99 1.553 9.935 -1.818 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.330 10.868 -3.285 1.00 0.00 H new ATOM 0 HD2 LYS A 99 4.056 10.035 -2.255 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.105 9.050 -3.348 1.00 0.00 H new ATOM 0 HE2 LYS A 99 3.069 11.088 -4.929 1.00 0.00 H new ATOM 0 HE3 LYS A 99 4.293 11.791 -3.890 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 4.798 10.132 -5.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.840 10.370 -4.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.785 9.040 -4.626 1.00 0.00 H new