USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 524 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 72 MET CE :methyl 161:sc= -0.0748 (180deg=-0.708) USER MOD Set 1.2: A 89 MET CE :methyl 151:sc= -0.0292 (180deg=0) USER MOD Single : A 15 SER OG : rot 37:sc= 0.136 USER MOD Single : A 17 LYS NZ :NH3+ 174:sc= 0.651 (180deg=0.628) USER MOD Single : A 20 ASN : amide:sc= 1.19 K(o=1.2,f=-5.8!) USER MOD Single : A 22 THR OG1 : rot -42:sc= 0.441 USER MOD Single : A 23 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 SER OG : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot 119:sc= 0.275 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 TYR OH : rot -157:sc= 0.092 USER MOD Single : A 44 TYR OH : rot 77:sc= 0.997 USER MOD Single : A 63 HIS : no HD1:sc= -2.01 K(o=-2,f=-7.2!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 MET CE :methyl -164:sc= -1.35 (180deg=-2.56) USER MOD Single : A 88 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD ----------------------------------------------------------------- ATOM 203 N SER A 15 11.676 6.664 5.076 1.00 0.00 N ATOM 204 CA SER A 15 10.417 6.584 4.353 1.00 0.00 C ATOM 205 C SER A 15 10.072 5.148 4.026 1.00 0.00 C ATOM 206 O SER A 15 10.946 4.338 3.718 1.00 0.00 O ATOM 207 CB SER A 15 10.495 7.407 3.072 1.00 0.00 C ATOM 208 OG SER A 15 10.744 8.762 3.391 1.00 0.00 O ATOM 0 HA SER A 15 9.631 6.988 4.991 1.00 0.00 H new ATOM 0 HB2 SER A 15 11.287 7.023 2.429 1.00 0.00 H new ATOM 0 HB3 SER A 15 9.562 7.320 2.515 1.00 0.00 H new ATOM 0 HG SER A 15 11.356 8.811 4.155 1.00 0.00 H new ATOM 214 N LEU A 16 8.774 4.846 4.092 1.00 0.00 N ATOM 215 CA LEU A 16 8.253 3.544 3.699 1.00 0.00 C ATOM 216 C LEU A 16 7.647 3.676 2.308 1.00 0.00 C ATOM 217 O LEU A 16 7.337 4.791 1.907 1.00 0.00 O ATOM 218 CB LEU A 16 7.185 3.092 4.697 1.00 0.00 C ATOM 219 CG LEU A 16 6.713 1.651 4.483 1.00 0.00 C ATOM 220 CD1 LEU A 16 7.845 0.666 4.754 1.00 0.00 C ATOM 221 CD2 LEU A 16 5.537 1.343 5.412 1.00 0.00 C ATOM 0 H LEU A 16 8.060 5.497 4.419 1.00 0.00 H new ATOM 0 HA LEU A 16 9.052 2.802 3.689 1.00 0.00 H new ATOM 0 HB2 LEU A 16 7.581 3.189 5.708 1.00 0.00 H new ATOM 0 HB3 LEU A 16 6.327 3.760 4.625 1.00 0.00 H new ATOM 0 HG LEU A 16 6.397 1.546 3.445 1.00 0.00 H new ATOM 0 HD11 LEU A 16 7.488 -0.352 4.596 1.00 0.00 H new ATOM 0 HD12 LEU A 16 8.674 0.869 4.076 1.00 0.00 H new ATOM 0 HD13 LEU A 16 8.184 0.776 5.784 1.00 0.00 H new ATOM 0 HD21 LEU A 16 5.207 0.316 5.253 1.00 0.00 H new ATOM 0 HD22 LEU A 16 5.850 1.468 6.449 1.00 0.00 H new ATOM 0 HD23 LEU A 16 4.715 2.025 5.197 1.00 0.00 H new ATOM 233 N LYS A 17 7.497 2.546 1.611 1.00 0.00 N ATOM 234 CA LYS A 17 6.863 2.407 0.305 1.00 0.00 C ATOM 235 C LYS A 17 6.056 1.109 0.326 1.00 0.00 C ATOM 236 O LYS A 17 6.542 0.071 0.771 1.00 0.00 O ATOM 237 CB LYS A 17 7.943 2.391 -0.784 1.00 0.00 C ATOM 238 CG LYS A 17 7.577 1.653 -2.076 1.00 0.00 C ATOM 239 CD LYS A 17 6.499 2.368 -2.890 1.00 0.00 C ATOM 240 CE LYS A 17 5.987 1.479 -4.026 1.00 0.00 C ATOM 241 NZ LYS A 17 7.068 1.047 -4.931 1.00 0.00 N ATOM 0 H LYS A 17 7.837 1.653 1.968 1.00 0.00 H new ATOM 0 HA LYS A 17 6.196 3.241 0.087 1.00 0.00 H new ATOM 0 HB2 LYS A 17 8.194 3.422 -1.035 1.00 0.00 H new ATOM 0 HB3 LYS A 17 8.843 1.936 -0.370 1.00 0.00 H new ATOM 0 HG2 LYS A 17 8.471 1.540 -2.689 1.00 0.00 H new ATOM 0 HG3 LYS A 17 7.231 0.649 -1.829 1.00 0.00 H new ATOM 0 HD2 LYS A 17 5.670 2.644 -2.238 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.903 3.293 -3.302 1.00 0.00 H new ATOM 0 HE2 LYS A 17 5.497 0.601 -3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 17 5.233 2.021 -4.597 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 6.691 0.367 -5.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 7.452 1.873 -5.432 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 7.824 0.595 -4.378 1.00 0.00 H new ATOM 255 N VAL A 18 4.820 1.166 -0.162 1.00 0.00 N ATOM 256 CA VAL A 18 3.983 -0.019 -0.307 1.00 0.00 C ATOM 257 C VAL A 18 3.541 -0.130 -1.750 1.00 0.00 C ATOM 258 O VAL A 18 3.277 0.905 -2.372 1.00 0.00 O ATOM 259 CB VAL A 18 2.767 0.093 0.595 1.00 0.00 C ATOM 260 CG1 VAL A 18 1.663 -0.884 0.179 1.00 0.00 C ATOM 261 CG2 VAL A 18 3.192 -0.168 2.032 1.00 0.00 C ATOM 0 H VAL A 18 4.373 2.031 -0.466 1.00 0.00 H new ATOM 0 HA VAL A 18 4.549 -0.906 -0.023 1.00 0.00 H new ATOM 0 HB VAL A 18 2.357 1.099 0.505 1.00 0.00 H new ATOM 0 HG11 VAL A 18 0.809 -0.774 0.848 1.00 0.00 H new ATOM 0 HG12 VAL A 18 1.353 -0.669 -0.844 1.00 0.00 H new ATOM 0 HG13 VAL A 18 2.040 -1.905 0.236 1.00 0.00 H new ATOM 0 HG21 VAL A 18 2.325 -0.090 2.688 1.00 0.00 H new ATOM 0 HG22 VAL A 18 3.617 -1.169 2.110 1.00 0.00 H new ATOM 0 HG23 VAL A 18 3.940 0.567 2.330 1.00 0.00 H new ATOM 271 N ASP A 19 3.480 -1.383 -2.217 1.00 0.00 N ATOM 272 CA ASP A 19 3.381 -1.808 -3.610 1.00 0.00 C ATOM 273 C ASP A 19 2.485 -3.047 -3.741 1.00 0.00 C ATOM 274 O ASP A 19 2.034 -3.594 -2.741 1.00 0.00 O ATOM 275 CB ASP A 19 4.818 -2.133 -4.025 1.00 0.00 C ATOM 276 CG ASP A 19 5.080 -2.168 -5.528 1.00 0.00 C ATOM 277 OD1 ASP A 19 4.643 -3.140 -6.179 1.00 0.00 O ATOM 278 OD2 ASP A 19 5.726 -1.212 -6.013 1.00 0.00 O ATOM 0 H ASP A 19 3.500 -2.181 -1.582 1.00 0.00 H new ATOM 0 HA ASP A 19 2.935 -1.039 -4.241 1.00 0.00 H new ATOM 0 HB2 ASP A 19 5.482 -1.395 -3.576 1.00 0.00 H new ATOM 0 HB3 ASP A 19 5.088 -3.102 -3.605 1.00 0.00 H new ATOM 283 N ASN A 20 2.234 -3.482 -4.980 1.00 0.00 N ATOM 284 CA ASN A 20 1.363 -4.592 -5.350 1.00 0.00 C ATOM 285 C ASN A 20 -0.113 -4.306 -5.086 1.00 0.00 C ATOM 286 O ASN A 20 -0.555 -4.279 -3.939 1.00 0.00 O ATOM 287 CB ASN A 20 1.816 -5.896 -4.702 1.00 0.00 C ATOM 288 CG ASN A 20 1.320 -7.094 -5.512 1.00 0.00 C ATOM 289 OD1 ASN A 20 1.160 -7.012 -6.726 1.00 0.00 O ATOM 290 ND2 ASN A 20 1.069 -8.221 -4.859 1.00 0.00 N ATOM 0 H ASN A 20 2.660 -3.041 -5.795 1.00 0.00 H new ATOM 0 HA ASN A 20 1.455 -4.710 -6.430 1.00 0.00 H new ATOM 0 HB2 ASN A 20 2.904 -5.918 -4.637 1.00 0.00 H new ATOM 0 HB3 ASN A 20 1.434 -5.955 -3.683 1.00 0.00 H new ATOM 0 HD21 ASN A 20 0.736 -9.041 -5.366 1.00 0.00 H new ATOM 0 HD22 ASN A 20 1.209 -8.268 -3.850 1.00 0.00 H new ATOM 297 N LEU A 21 -0.876 -4.096 -6.159 1.00 0.00 N ATOM 298 CA LEU A 21 -2.299 -3.793 -6.102 1.00 0.00 C ATOM 299 C LEU A 21 -3.048 -4.597 -7.158 1.00 0.00 C ATOM 300 O LEU A 21 -2.435 -5.258 -7.991 1.00 0.00 O ATOM 301 CB LEU A 21 -2.542 -2.316 -6.415 1.00 0.00 C ATOM 302 CG LEU A 21 -1.677 -1.333 -5.633 1.00 0.00 C ATOM 303 CD1 LEU A 21 -2.040 0.045 -6.189 1.00 0.00 C ATOM 304 CD2 LEU A 21 -1.940 -1.382 -4.136 1.00 0.00 C ATOM 0 H LEU A 21 -0.510 -4.133 -7.110 1.00 0.00 H new ATOM 0 HA LEU A 21 -2.649 -4.039 -5.100 1.00 0.00 H new ATOM 0 HB2 LEU A 21 -2.374 -2.155 -7.480 1.00 0.00 H new ATOM 0 HB3 LEU A 21 -3.590 -2.088 -6.219 1.00 0.00 H new ATOM 0 HG LEU A 21 -0.621 -1.575 -5.750 1.00 0.00 H new ATOM 0 HD11 LEU A 21 -1.457 0.810 -5.675 1.00 0.00 H new ATOM 0 HD12 LEU A 21 -1.819 0.076 -7.256 1.00 0.00 H new ATOM 0 HD13 LEU A 21 -3.102 0.232 -6.032 1.00 0.00 H new ATOM 0 HD21 LEU A 21 -1.297 -0.662 -3.630 1.00 0.00 H new ATOM 0 HD22 LEU A 21 -2.984 -1.136 -3.942 1.00 0.00 H new ATOM 0 HD23 LEU A 21 -1.728 -2.384 -3.762 1.00 0.00 H new ATOM 316 N THR A 22 -4.383 -4.534 -7.123 1.00 0.00 N ATOM 317 CA THR A 22 -5.236 -5.283 -8.038 1.00 0.00 C ATOM 318 C THR A 22 -6.203 -4.364 -8.784 1.00 0.00 C ATOM 319 O THR A 22 -7.139 -4.863 -9.401 1.00 0.00 O ATOM 320 CB THR A 22 -5.976 -6.374 -7.258 1.00 0.00 C ATOM 321 OG1 THR A 22 -6.551 -7.302 -8.145 1.00 0.00 O ATOM 322 CG2 THR A 22 -7.055 -5.776 -6.355 1.00 0.00 C ATOM 0 H THR A 22 -4.899 -3.960 -6.456 1.00 0.00 H new ATOM 0 HA THR A 22 -4.614 -5.755 -8.798 1.00 0.00 H new ATOM 0 HB THR A 22 -5.249 -6.885 -6.626 1.00 0.00 H new ATOM 0 HG1 THR A 22 -6.949 -6.826 -8.904 1.00 0.00 H new ATOM 0 HG21 THR A 22 -7.562 -6.576 -5.815 1.00 0.00 H new ATOM 0 HG22 THR A 22 -6.595 -5.092 -5.642 1.00 0.00 H new ATOM 0 HG23 THR A 22 -7.779 -5.233 -6.963 1.00 0.00 H new ATOM 329 N TYR A 23 -5.981 -3.042 -8.717 1.00 0.00 N ATOM 330 CA TYR A 23 -6.768 -1.982 -9.366 1.00 0.00 C ATOM 331 C TYR A 23 -7.925 -1.504 -8.492 1.00 0.00 C ATOM 332 O TYR A 23 -8.586 -0.515 -8.804 1.00 0.00 O ATOM 333 CB TYR A 23 -7.231 -2.387 -10.768 1.00 0.00 C ATOM 334 CG TYR A 23 -8.732 -2.385 -10.978 1.00 0.00 C ATOM 335 CD1 TYR A 23 -9.557 -3.263 -10.257 1.00 0.00 C ATOM 336 CD2 TYR A 23 -9.295 -1.492 -11.903 1.00 0.00 C ATOM 337 CE1 TYR A 23 -10.945 -3.248 -10.458 1.00 0.00 C ATOM 338 CE2 TYR A 23 -10.679 -1.475 -12.114 1.00 0.00 C ATOM 339 CZ TYR A 23 -11.512 -2.354 -11.387 1.00 0.00 C ATOM 340 OH TYR A 23 -12.861 -2.334 -11.587 1.00 0.00 O ATOM 0 H TYR A 23 -5.203 -2.663 -8.178 1.00 0.00 H new ATOM 0 HA TYR A 23 -6.101 -1.129 -9.490 1.00 0.00 H new ATOM 0 HB2 TYR A 23 -6.778 -1.710 -11.492 1.00 0.00 H new ATOM 0 HB3 TYR A 23 -6.851 -3.386 -10.984 1.00 0.00 H new ATOM 0 HD1 TYR A 23 -9.122 -3.951 -9.547 1.00 0.00 H new ATOM 0 HD2 TYR A 23 -8.658 -0.816 -12.454 1.00 0.00 H new ATOM 0 HE1 TYR A 23 -11.579 -3.922 -9.901 1.00 0.00 H new ATOM 0 HE2 TYR A 23 -11.109 -0.791 -12.831 1.00 0.00 H new ATOM 0 HH TYR A 23 -13.082 -1.657 -12.261 1.00 0.00 H new ATOM 350 N ARG A 24 -8.166 -2.221 -7.396 1.00 0.00 N ATOM 351 CA ARG A 24 -9.267 -1.953 -6.476 1.00 0.00 C ATOM 352 C ARG A 24 -8.773 -1.703 -5.052 1.00 0.00 C ATOM 353 O ARG A 24 -9.557 -1.331 -4.180 1.00 0.00 O ATOM 354 CB ARG A 24 -10.202 -3.155 -6.554 1.00 0.00 C ATOM 355 CG ARG A 24 -11.445 -2.996 -5.674 1.00 0.00 C ATOM 356 CD ARG A 24 -12.358 -4.198 -5.884 1.00 0.00 C ATOM 357 NE ARG A 24 -11.742 -5.428 -5.364 1.00 0.00 N ATOM 358 CZ ARG A 24 -12.201 -6.658 -5.605 1.00 0.00 C ATOM 359 NH1 ARG A 24 -13.293 -6.843 -6.346 1.00 0.00 N ATOM 360 NH2 ARG A 24 -11.569 -7.712 -5.102 1.00 0.00 N ATOM 0 H ARG A 24 -7.592 -3.017 -7.119 1.00 0.00 H new ATOM 0 HA ARG A 24 -9.791 -1.040 -6.759 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -10.511 -3.303 -7.589 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -9.660 -4.051 -6.252 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -11.157 -2.921 -4.625 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -11.970 -2.075 -5.927 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -13.312 -4.026 -5.385 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -12.571 -4.315 -6.946 1.00 0.00 H new ATOM 0 HE ARG A 24 -10.910 -5.335 -4.781 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -13.787 -6.040 -6.736 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -13.635 -7.787 -6.524 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -10.733 -7.581 -4.532 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -11.919 -8.652 -5.286 1.00 0.00 H new ATOM 374 N THR A 25 -7.478 -1.898 -4.799 1.00 0.00 N ATOM 375 CA THR A 25 -6.919 -1.708 -3.470 1.00 0.00 C ATOM 376 C THR A 25 -7.096 -0.264 -3.004 1.00 0.00 C ATOM 377 O THR A 25 -7.443 -0.044 -1.848 1.00 0.00 O ATOM 378 CB THR A 25 -5.442 -2.095 -3.492 1.00 0.00 C ATOM 379 OG1 THR A 25 -5.312 -3.463 -3.805 1.00 0.00 O ATOM 380 CG2 THR A 25 -4.789 -1.814 -2.141 1.00 0.00 C ATOM 0 H THR A 25 -6.799 -2.188 -5.503 1.00 0.00 H new ATOM 0 HA THR A 25 -7.449 -2.345 -2.762 1.00 0.00 H new ATOM 0 HB THR A 25 -4.940 -1.497 -4.252 1.00 0.00 H new ATOM 0 HG1 THR A 25 -4.363 -3.706 -3.820 1.00 0.00 H new ATOM 0 HG21 THR A 25 -3.737 -2.097 -2.179 1.00 0.00 H new ATOM 0 HG22 THR A 25 -4.871 -0.752 -1.911 1.00 0.00 H new ATOM 0 HG23 THR A 25 -5.292 -2.392 -1.366 1.00 0.00 H new ATOM 387 N SER A 26 -6.856 0.696 -3.904 1.00 0.00 N ATOM 388 CA SER A 26 -7.012 2.135 -3.679 1.00 0.00 C ATOM 389 C SER A 26 -6.229 2.704 -2.485 1.00 0.00 C ATOM 390 O SER A 26 -5.903 1.996 -1.534 1.00 0.00 O ATOM 391 CB SER A 26 -8.504 2.444 -3.570 1.00 0.00 C ATOM 392 OG SER A 26 -9.137 2.186 -4.807 1.00 0.00 O ATOM 0 H SER A 26 -6.534 0.481 -4.848 1.00 0.00 H new ATOM 0 HA SER A 26 -6.567 2.641 -4.536 1.00 0.00 H new ATOM 0 HB2 SER A 26 -8.955 1.835 -2.786 1.00 0.00 H new ATOM 0 HB3 SER A 26 -8.649 3.487 -3.287 1.00 0.00 H new ATOM 0 HG SER A 26 -10.094 2.384 -4.732 1.00 0.00 H new ATOM 398 N PRO A 27 -5.916 4.010 -2.526 1.00 0.00 N ATOM 399 CA PRO A 27 -5.179 4.704 -1.476 1.00 0.00 C ATOM 400 C PRO A 27 -5.946 4.768 -0.158 1.00 0.00 C ATOM 401 O PRO A 27 -5.326 4.849 0.899 1.00 0.00 O ATOM 402 CB PRO A 27 -4.916 6.109 -2.025 1.00 0.00 C ATOM 403 CG PRO A 27 -5.960 6.307 -3.121 1.00 0.00 C ATOM 404 CD PRO A 27 -6.249 4.901 -3.623 1.00 0.00 C ATOM 0 HA PRO A 27 -4.258 4.171 -1.239 1.00 0.00 H new ATOM 0 HB2 PRO A 27 -5.016 6.863 -1.244 1.00 0.00 H new ATOM 0 HB3 PRO A 27 -3.905 6.194 -2.423 1.00 0.00 H new ATOM 0 HG2 PRO A 27 -6.860 6.783 -2.732 1.00 0.00 H new ATOM 0 HG3 PRO A 27 -5.582 6.945 -3.920 1.00 0.00 H new ATOM 0 HD2 PRO A 27 -7.296 4.796 -3.908 1.00 0.00 H new ATOM 0 HD3 PRO A 27 -5.654 4.672 -4.507 1.00 0.00 H new ATOM 412 N ASP A 28 -7.282 4.732 -0.201 1.00 0.00 N ATOM 413 CA ASP A 28 -8.073 4.840 1.017 1.00 0.00 C ATOM 414 C ASP A 28 -7.987 3.579 1.869 1.00 0.00 C ATOM 415 O ASP A 28 -7.842 3.672 3.087 1.00 0.00 O ATOM 416 CB ASP A 28 -9.526 5.068 0.643 1.00 0.00 C ATOM 417 CG ASP A 28 -10.374 5.363 1.879 1.00 0.00 C ATOM 418 OD1 ASP A 28 -10.871 4.388 2.487 1.00 0.00 O ATOM 419 OD2 ASP A 28 -10.517 6.560 2.206 1.00 0.00 O ATOM 0 H ASP A 28 -7.827 4.630 -1.057 1.00 0.00 H new ATOM 0 HA ASP A 28 -7.676 5.673 1.598 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -9.598 5.900 -0.058 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -9.916 4.187 0.133 1.00 0.00 H new ATOM 424 N THR A 29 -8.073 2.403 1.241 1.00 0.00 N ATOM 425 CA THR A 29 -8.019 1.163 1.992 1.00 0.00 C ATOM 426 C THR A 29 -6.632 1.051 2.596 1.00 0.00 C ATOM 427 O THR A 29 -6.485 0.659 3.748 1.00 0.00 O ATOM 428 CB THR A 29 -8.256 -0.032 1.071 1.00 0.00 C ATOM 429 OG1 THR A 29 -9.412 0.195 0.293 1.00 0.00 O ATOM 430 CG2 THR A 29 -8.452 -1.307 1.886 1.00 0.00 C ATOM 0 H THR A 29 -8.178 2.292 0.233 1.00 0.00 H new ATOM 0 HA THR A 29 -8.789 1.165 2.763 1.00 0.00 H new ATOM 0 HB THR A 29 -7.385 -0.150 0.426 1.00 0.00 H new ATOM 0 HG1 THR A 29 -9.172 0.197 -0.657 1.00 0.00 H new ATOM 0 HG21 THR A 29 -8.620 -2.147 1.212 1.00 0.00 H new ATOM 0 HG22 THR A 29 -7.562 -1.495 2.487 1.00 0.00 H new ATOM 0 HG23 THR A 29 -9.315 -1.190 2.542 1.00 0.00 H new ATOM 437 N LEU A 30 -5.613 1.404 1.810 1.00 0.00 N ATOM 438 CA LEU A 30 -4.241 1.370 2.268 1.00 0.00 C ATOM 439 C LEU A 30 -4.054 2.339 3.426 1.00 0.00 C ATOM 440 O LEU A 30 -3.282 2.067 4.341 1.00 0.00 O ATOM 441 CB LEU A 30 -3.329 1.776 1.113 1.00 0.00 C ATOM 442 CG LEU A 30 -3.364 0.775 -0.038 1.00 0.00 C ATOM 443 CD1 LEU A 30 -2.755 1.436 -1.272 1.00 0.00 C ATOM 444 CD2 LEU A 30 -2.567 -0.474 0.317 1.00 0.00 C ATOM 0 H LEU A 30 -5.724 1.718 0.846 1.00 0.00 H new ATOM 0 HA LEU A 30 -3.993 0.364 2.607 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -3.628 2.758 0.746 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -2.306 1.870 1.478 1.00 0.00 H new ATOM 0 HG LEU A 30 -4.395 0.481 -0.233 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -2.771 0.734 -2.106 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -3.333 2.323 -1.532 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -1.725 1.723 -1.060 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -2.603 -1.177 -0.515 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -1.531 -0.200 0.516 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -2.996 -0.940 1.204 1.00 0.00 H new ATOM 456 N ARG A 31 -4.755 3.478 3.410 1.00 0.00 N ATOM 457 CA ARG A 31 -4.564 4.490 4.434 1.00 0.00 C ATOM 458 C ARG A 31 -4.870 3.902 5.800 1.00 0.00 C ATOM 459 O ARG A 31 -4.035 3.947 6.692 1.00 0.00 O ATOM 460 CB ARG A 31 -5.484 5.686 4.145 1.00 0.00 C ATOM 461 CG ARG A 31 -4.929 7.009 4.673 1.00 0.00 C ATOM 462 CD ARG A 31 -4.441 6.923 6.118 1.00 0.00 C ATOM 463 NE ARG A 31 -4.036 8.242 6.611 1.00 0.00 N ATOM 464 CZ ARG A 31 -4.819 9.069 7.310 1.00 0.00 C ATOM 465 NH1 ARG A 31 -6.066 8.733 7.628 1.00 0.00 N ATOM 466 NH2 ARG A 31 -4.347 10.249 7.701 1.00 0.00 N ATOM 0 H ARG A 31 -5.452 3.713 2.703 1.00 0.00 H new ATOM 0 HA ARG A 31 -3.528 4.830 4.427 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -5.638 5.767 3.069 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.460 5.503 4.594 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -4.104 7.330 4.036 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -5.702 7.774 4.602 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -5.233 6.521 6.750 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -3.600 6.232 6.182 1.00 0.00 H new ATOM 0 HE ARG A 31 -3.086 8.552 6.405 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -6.441 7.830 7.338 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -6.648 9.378 8.162 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -3.392 10.519 7.467 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -4.940 10.884 8.235 1.00 0.00 H new ATOM 480 N ARG A 32 -6.071 3.348 5.964 1.00 0.00 N ATOM 481 CA ARG A 32 -6.509 2.797 7.243 1.00 0.00 C ATOM 482 C ARG A 32 -5.975 1.387 7.492 1.00 0.00 C ATOM 483 O ARG A 32 -6.191 0.830 8.564 1.00 0.00 O ATOM 484 CB ARG A 32 -8.041 2.824 7.271 1.00 0.00 C ATOM 485 CG ARG A 32 -8.620 1.913 6.179 1.00 0.00 C ATOM 486 CD ARG A 32 -9.840 2.558 5.527 1.00 0.00 C ATOM 487 NE ARG A 32 -10.917 2.786 6.496 1.00 0.00 N ATOM 488 CZ ARG A 32 -12.000 3.531 6.246 1.00 0.00 C ATOM 489 NH1 ARG A 32 -12.168 4.112 5.060 1.00 0.00 N ATOM 490 NH2 ARG A 32 -12.923 3.701 7.187 1.00 0.00 N ATOM 0 H ARG A 32 -6.763 3.269 5.218 1.00 0.00 H new ATOM 0 HA ARG A 32 -6.103 3.409 8.049 1.00 0.00 H new ATOM 0 HB2 ARG A 32 -8.398 2.500 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 32 -8.394 3.845 7.125 1.00 0.00 H new ATOM 0 HG2 ARG A 32 -7.860 1.715 5.423 1.00 0.00 H new ATOM 0 HG3 ARG A 32 -8.898 0.952 6.611 1.00 0.00 H new ATOM 0 HD2 ARG A 32 -9.551 3.506 5.074 1.00 0.00 H new ATOM 0 HD3 ARG A 32 -10.204 1.918 4.723 1.00 0.00 H new ATOM 0 HE ARG A 32 -10.836 2.351 7.415 1.00 0.00 H new ATOM 0 HH11 ARG A 32 -11.467 3.992 4.329 1.00 0.00 H new ATOM 0 HH12 ARG A 32 -12.998 4.677 4.882 1.00 0.00 H new ATOM 0 HH21 ARG A 32 -12.806 3.263 8.101 1.00 0.00 H new ATOM 0 HH22 ARG A 32 -13.748 4.269 6.995 1.00 0.00 H new ATOM 504 N VAL A 33 -5.277 0.812 6.510 1.00 0.00 N ATOM 505 CA VAL A 33 -4.617 -0.484 6.644 1.00 0.00 C ATOM 506 C VAL A 33 -3.172 -0.320 7.100 1.00 0.00 C ATOM 507 O VAL A 33 -2.545 -1.280 7.539 1.00 0.00 O ATOM 508 CB VAL A 33 -4.677 -1.203 5.297 1.00 0.00 C ATOM 509 CG1 VAL A 33 -3.627 -2.301 5.161 1.00 0.00 C ATOM 510 CG2 VAL A 33 -6.050 -1.850 5.150 1.00 0.00 C ATOM 0 H VAL A 33 -5.154 1.239 5.592 1.00 0.00 H new ATOM 0 HA VAL A 33 -5.131 -1.074 7.403 1.00 0.00 H new ATOM 0 HB VAL A 33 -4.486 -0.457 4.526 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -3.720 -2.775 4.184 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -2.632 -1.867 5.261 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.777 -3.047 5.941 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -6.108 -2.367 4.192 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -6.204 -2.565 5.958 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.821 -1.081 5.194 1.00 0.00 H new ATOM 520 N PHE A 34 -2.636 0.897 6.995 1.00 0.00 N ATOM 521 CA PHE A 34 -1.238 1.151 7.307 1.00 0.00 C ATOM 522 C PHE A 34 -1.098 2.208 8.383 1.00 0.00 C ATOM 523 O PHE A 34 -0.226 2.093 9.243 1.00 0.00 O ATOM 524 CB PHE A 34 -0.540 1.587 6.022 1.00 0.00 C ATOM 525 CG PHE A 34 -0.037 0.439 5.197 1.00 0.00 C ATOM 526 CD1 PHE A 34 1.129 -0.227 5.586 1.00 0.00 C ATOM 527 CD2 PHE A 34 -0.733 0.040 4.051 1.00 0.00 C ATOM 528 CE1 PHE A 34 1.597 -1.312 4.832 1.00 0.00 C ATOM 529 CE2 PHE A 34 -0.254 -1.030 3.291 1.00 0.00 C ATOM 530 CZ PHE A 34 0.903 -1.718 3.684 1.00 0.00 C ATOM 0 H PHE A 34 -3.155 1.722 6.695 1.00 0.00 H new ATOM 0 HA PHE A 34 -0.777 0.243 7.696 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -1.233 2.178 5.424 1.00 0.00 H new ATOM 0 HB3 PHE A 34 0.297 2.237 6.275 1.00 0.00 H new ATOM 0 HD1 PHE A 34 1.668 0.094 6.465 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -1.635 0.556 3.756 1.00 0.00 H new ATOM 0 HE1 PHE A 34 2.492 -1.835 5.136 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -0.778 -1.329 2.395 1.00 0.00 H new ATOM 0 HZ PHE A 34 1.258 -2.557 3.104 1.00 0.00 H new ATOM 540 N GLU A 35 -1.943 3.237 8.356 1.00 0.00 N ATOM 541 CA GLU A 35 -1.841 4.261 9.375 1.00 0.00 C ATOM 542 C GLU A 35 -2.240 3.686 10.733 1.00 0.00 C ATOM 543 O GLU A 35 -1.929 4.263 11.771 1.00 0.00 O ATOM 544 CB GLU A 35 -2.681 5.487 9.014 1.00 0.00 C ATOM 545 CG GLU A 35 -4.152 5.374 9.402 1.00 0.00 C ATOM 546 CD GLU A 35 -4.402 5.719 10.870 1.00 0.00 C ATOM 547 OE1 GLU A 35 -3.872 6.757 11.324 1.00 0.00 O ATOM 548 OE2 GLU A 35 -5.125 4.940 11.527 1.00 0.00 O ATOM 0 H GLU A 35 -2.679 3.376 7.663 1.00 0.00 H new ATOM 0 HA GLU A 35 -0.804 4.593 9.435 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -2.254 6.363 9.503 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -2.612 5.657 7.940 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -4.742 6.039 8.771 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -4.498 4.359 9.207 1.00 0.00 H new ATOM 555 N LYS A 36 -2.935 2.545 10.707 1.00 0.00 N ATOM 556 CA LYS A 36 -3.447 1.901 11.906 1.00 0.00 C ATOM 557 C LYS A 36 -2.327 1.533 12.865 1.00 0.00 C ATOM 558 O LYS A 36 -2.515 1.563 14.080 1.00 0.00 O ATOM 559 CB LYS A 36 -4.229 0.650 11.503 1.00 0.00 C ATOM 560 CG LYS A 36 -3.330 -0.410 10.862 1.00 0.00 C ATOM 561 CD LYS A 36 -4.131 -1.543 10.217 1.00 0.00 C ATOM 562 CE LYS A 36 -5.217 -2.072 11.149 1.00 0.00 C ATOM 563 NZ LYS A 36 -5.843 -3.289 10.603 1.00 0.00 N ATOM 0 H LYS A 36 -3.156 2.045 9.846 1.00 0.00 H new ATOM 0 HA LYS A 36 -4.102 2.601 12.424 1.00 0.00 H new ATOM 0 HB2 LYS A 36 -4.715 0.228 12.383 1.00 0.00 H new ATOM 0 HB3 LYS A 36 -5.018 0.926 10.804 1.00 0.00 H new ATOM 0 HG2 LYS A 36 -2.700 0.061 10.108 1.00 0.00 H new ATOM 0 HG3 LYS A 36 -2.665 -0.825 11.620 1.00 0.00 H new ATOM 0 HD2 LYS A 36 -4.587 -1.186 9.294 1.00 0.00 H new ATOM 0 HD3 LYS A 36 -3.457 -2.356 9.946 1.00 0.00 H new ATOM 0 HE2 LYS A 36 -4.787 -2.289 12.127 1.00 0.00 H new ATOM 0 HE3 LYS A 36 -5.977 -1.305 11.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 -6.577 -3.626 11.258 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 -6.274 -3.074 9.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 -5.120 -4.027 10.484 1.00 0.00 H new ATOM 577 N TYR A 37 -1.156 1.188 12.319 1.00 0.00 N ATOM 578 CA TYR A 37 -0.017 0.831 13.141 1.00 0.00 C ATOM 579 C TYR A 37 0.636 2.068 13.751 1.00 0.00 C ATOM 580 O TYR A 37 1.359 1.962 14.740 1.00 0.00 O ATOM 581 CB TYR A 37 1.010 0.084 12.293 1.00 0.00 C ATOM 582 CG TYR A 37 0.469 -1.205 11.733 1.00 0.00 C ATOM 583 CD1 TYR A 37 0.531 -2.378 12.500 1.00 0.00 C ATOM 584 CD2 TYR A 37 -0.106 -1.228 10.458 1.00 0.00 C ATOM 585 CE1 TYR A 37 0.016 -3.577 11.989 1.00 0.00 C ATOM 586 CE2 TYR A 37 -0.614 -2.424 9.936 1.00 0.00 C ATOM 587 CZ TYR A 37 -0.566 -3.605 10.704 1.00 0.00 C ATOM 588 OH TYR A 37 -1.078 -4.770 10.213 1.00 0.00 O ATOM 0 H TYR A 37 -0.982 1.151 11.315 1.00 0.00 H new ATOM 0 HA TYR A 37 -0.370 0.194 13.952 1.00 0.00 H new ATOM 0 HB2 TYR A 37 1.334 0.725 11.473 1.00 0.00 H new ATOM 0 HB3 TYR A 37 1.891 -0.128 12.899 1.00 0.00 H new ATOM 0 HD1 TYR A 37 0.976 -2.357 13.484 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -0.158 -0.321 9.874 1.00 0.00 H new ATOM 0 HE1 TYR A 37 0.065 -4.480 12.579 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -1.043 -2.442 8.945 1.00 0.00 H new ATOM 0 HH TYR A 37 -1.104 -4.729 9.234 1.00 0.00 H new ATOM 598 N GLY A 38 0.383 3.245 13.165 1.00 0.00 N ATOM 599 CA GLY A 38 0.883 4.496 13.712 1.00 0.00 C ATOM 600 C GLY A 38 0.359 5.696 12.938 1.00 0.00 C ATOM 601 O GLY A 38 -0.424 6.478 13.481 1.00 0.00 O ATOM 0 H GLY A 38 -0.166 3.349 12.312 1.00 0.00 H new ATOM 0 HA2 GLY A 38 0.588 4.580 14.758 1.00 0.00 H new ATOM 0 HA3 GLY A 38 1.973 4.494 13.688 1.00 0.00 H new ATOM 605 N ARG A 39 0.778 5.847 11.678 1.00 0.00 N ATOM 606 CA ARG A 39 0.294 6.914 10.810 1.00 0.00 C ATOM 607 C ARG A 39 0.745 6.678 9.377 1.00 0.00 C ATOM 608 O ARG A 39 1.587 5.824 9.125 1.00 0.00 O ATOM 609 CB ARG A 39 0.846 8.259 11.303 1.00 0.00 C ATOM 610 CG ARG A 39 -0.064 9.440 10.975 1.00 0.00 C ATOM 611 CD ARG A 39 -1.414 9.286 11.669 1.00 0.00 C ATOM 612 NE ARG A 39 -2.207 10.519 11.559 1.00 0.00 N ATOM 613 CZ ARG A 39 -3.541 10.577 11.587 1.00 0.00 C ATOM 614 NH1 ARG A 39 -4.277 9.472 11.691 1.00 0.00 N ATOM 615 NH2 ARG A 39 -4.153 11.756 11.508 1.00 0.00 N ATOM 0 H ARG A 39 1.461 5.232 11.236 1.00 0.00 H new ATOM 0 HA ARG A 39 -0.796 6.926 10.839 1.00 0.00 H new ATOM 0 HB2 ARG A 39 0.993 8.211 12.382 1.00 0.00 H new ATOM 0 HB3 ARG A 39 1.825 8.428 10.856 1.00 0.00 H new ATOM 0 HG2 ARG A 39 0.409 10.370 11.291 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -0.209 9.506 9.897 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -1.963 8.456 11.224 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.261 9.041 12.720 1.00 0.00 H new ATOM 0 HE ARG A 39 -1.700 11.397 11.453 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -3.823 8.561 11.751 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -5.295 9.537 11.711 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -3.603 12.611 11.426 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -5.172 11.804 11.529 1.00 0.00 H new ATOM 629 N VAL A 40 0.174 7.447 8.452 1.00 0.00 N ATOM 630 CA VAL A 40 0.538 7.417 7.046 1.00 0.00 C ATOM 631 C VAL A 40 0.782 8.849 6.593 1.00 0.00 C ATOM 632 O VAL A 40 -0.157 9.587 6.298 1.00 0.00 O ATOM 633 CB VAL A 40 -0.568 6.749 6.232 1.00 0.00 C ATOM 634 CG1 VAL A 40 -0.372 6.950 4.738 1.00 0.00 C ATOM 635 CG2 VAL A 40 -0.552 5.239 6.431 1.00 0.00 C ATOM 0 H VAL A 40 -0.565 8.117 8.666 1.00 0.00 H new ATOM 0 HA VAL A 40 1.445 6.833 6.893 1.00 0.00 H new ATOM 0 HB VAL A 40 -1.498 7.203 6.575 1.00 0.00 H new ATOM 0 HG11 VAL A 40 -1.180 6.459 4.196 1.00 0.00 H new ATOM 0 HG12 VAL A 40 -0.377 8.016 4.511 1.00 0.00 H new ATOM 0 HG13 VAL A 40 0.582 6.519 4.435 1.00 0.00 H new ATOM 0 HG21 VAL A 40 -1.349 4.786 5.841 1.00 0.00 H new ATOM 0 HG22 VAL A 40 0.410 4.840 6.109 1.00 0.00 H new ATOM 0 HG23 VAL A 40 -0.706 5.009 7.485 1.00 0.00 H new ATOM 645 N GLY A 41 2.061 9.228 6.544 1.00 0.00 N ATOM 646 CA GLY A 41 2.480 10.545 6.092 1.00 0.00 C ATOM 647 C GLY A 41 2.061 10.825 4.649 1.00 0.00 C ATOM 648 O GLY A 41 1.860 11.981 4.280 1.00 0.00 O ATOM 0 H GLY A 41 2.834 8.623 6.819 1.00 0.00 H new ATOM 0 HA2 GLY A 41 2.051 11.304 6.746 1.00 0.00 H new ATOM 0 HA3 GLY A 41 3.564 10.627 6.176 1.00 0.00 H new ATOM 652 N ASP A 42 1.934 9.775 3.831 1.00 0.00 N ATOM 653 CA ASP A 42 1.571 9.885 2.426 1.00 0.00 C ATOM 654 C ASP A 42 0.936 8.577 1.972 1.00 0.00 C ATOM 655 O ASP A 42 1.371 7.503 2.379 1.00 0.00 O ATOM 656 CB ASP A 42 2.838 10.112 1.598 1.00 0.00 C ATOM 657 CG ASP A 42 3.364 11.539 1.707 1.00 0.00 C ATOM 658 OD1 ASP A 42 2.633 12.457 1.275 1.00 0.00 O ATOM 659 OD2 ASP A 42 4.493 11.690 2.217 1.00 0.00 O ATOM 0 H ASP A 42 2.084 8.814 4.137 1.00 0.00 H new ATOM 0 HA ASP A 42 0.875 10.713 2.293 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.611 9.418 1.927 1.00 0.00 H new ATOM 0 HB3 ASP A 42 2.630 9.885 0.553 1.00 0.00 H new ATOM 664 N VAL A 43 -0.090 8.655 1.127 1.00 0.00 N ATOM 665 CA VAL A 43 -0.704 7.463 0.559 1.00 0.00 C ATOM 666 C VAL A 43 -1.231 7.830 -0.821 1.00 0.00 C ATOM 667 O VAL A 43 -2.118 8.674 -0.958 1.00 0.00 O ATOM 668 CB VAL A 43 -1.786 6.923 1.517 1.00 0.00 C ATOM 669 CG1 VAL A 43 -3.215 7.339 1.176 1.00 0.00 C ATOM 670 CG2 VAL A 43 -1.733 5.403 1.634 1.00 0.00 C ATOM 0 H VAL A 43 -0.512 9.532 0.822 1.00 0.00 H new ATOM 0 HA VAL A 43 0.013 6.650 0.439 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.538 7.388 2.471 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -3.902 6.911 1.906 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -3.293 8.426 1.198 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -3.471 6.977 0.180 1.00 0.00 H new ATOM 0 HG21 VAL A 43 -2.511 5.063 2.318 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -1.892 4.957 0.652 1.00 0.00 H new ATOM 0 HG23 VAL A 43 -0.758 5.101 2.016 1.00 0.00 H new ATOM 680 N TYR A 44 -0.682 7.201 -1.861 1.00 0.00 N ATOM 681 CA TYR A 44 -1.162 7.456 -3.212 1.00 0.00 C ATOM 682 C TYR A 44 -0.833 6.293 -4.135 1.00 0.00 C ATOM 683 O TYR A 44 -0.043 5.414 -3.784 1.00 0.00 O ATOM 684 CB TYR A 44 -0.554 8.756 -3.750 1.00 0.00 C ATOM 685 CG TYR A 44 0.832 8.613 -4.341 1.00 0.00 C ATOM 686 CD1 TYR A 44 1.974 8.757 -3.541 1.00 0.00 C ATOM 687 CD2 TYR A 44 0.957 8.344 -5.710 1.00 0.00 C ATOM 688 CE1 TYR A 44 3.247 8.659 -4.121 1.00 0.00 C ATOM 689 CE2 TYR A 44 2.220 8.225 -6.293 1.00 0.00 C ATOM 690 CZ TYR A 44 3.376 8.398 -5.504 1.00 0.00 C ATOM 691 OH TYR A 44 4.609 8.308 -6.072 1.00 0.00 O ATOM 0 H TYR A 44 0.079 6.526 -1.794 1.00 0.00 H new ATOM 0 HA TYR A 44 -2.246 7.561 -3.177 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.218 9.163 -4.512 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -0.515 9.484 -2.940 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.874 8.943 -2.482 1.00 0.00 H new ATOM 0 HD2 TYR A 44 0.072 8.228 -6.318 1.00 0.00 H new ATOM 0 HE1 TYR A 44 4.129 8.783 -3.511 1.00 0.00 H new ATOM 0 HE2 TYR A 44 2.311 8.001 -7.346 1.00 0.00 H new ATOM 0 HH TYR A 44 5.004 7.437 -5.859 1.00 0.00 H new ATOM 701 N ILE A 45 -1.450 6.296 -5.322 1.00 0.00 N ATOM 702 CA ILE A 45 -1.233 5.283 -6.342 1.00 0.00 C ATOM 703 C ILE A 45 -0.756 5.998 -7.611 1.00 0.00 C ATOM 704 O ILE A 45 -1.486 6.828 -8.152 1.00 0.00 O ATOM 705 CB ILE A 45 -2.530 4.490 -6.600 1.00 0.00 C ATOM 706 CG1 ILE A 45 -2.848 3.452 -5.523 1.00 0.00 C ATOM 707 CG2 ILE A 45 -2.385 3.699 -7.903 1.00 0.00 C ATOM 708 CD1 ILE A 45 -3.061 4.047 -4.139 1.00 0.00 C ATOM 0 H ILE A 45 -2.121 7.014 -5.597 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.481 4.564 -6.017 1.00 0.00 H new ATOM 0 HB ILE A 45 -3.326 5.235 -6.623 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -3.744 2.903 -5.814 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.033 2.730 -5.476 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -3.299 3.136 -8.091 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -2.207 4.388 -8.729 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -1.545 3.009 -7.818 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -3.282 3.249 -3.430 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.158 4.571 -3.825 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -3.896 4.747 -4.169 1.00 0.00 H new ATOM 720 N PRO A 46 0.459 5.690 -8.088 1.00 0.00 N ATOM 721 CA PRO A 46 1.047 6.211 -9.318 1.00 0.00 C ATOM 722 C PRO A 46 0.355 5.629 -10.557 1.00 0.00 C ATOM 723 O PRO A 46 1.012 5.074 -11.436 1.00 0.00 O ATOM 724 CB PRO A 46 2.528 5.841 -9.247 1.00 0.00 C ATOM 725 CG PRO A 46 2.525 4.579 -8.402 1.00 0.00 C ATOM 726 CD PRO A 46 1.384 4.792 -7.422 1.00 0.00 C ATOM 0 HA PRO A 46 0.920 7.290 -9.408 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.947 5.663 -10.237 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.120 6.633 -8.788 1.00 0.00 H new ATOM 0 HG2 PRO A 46 2.365 3.691 -9.013 1.00 0.00 H new ATOM 0 HG3 PRO A 46 3.475 4.443 -7.885 1.00 0.00 H new ATOM 0 HD2 PRO A 46 0.901 3.847 -7.171 1.00 0.00 H new ATOM 0 HD3 PRO A 46 1.745 5.223 -6.488 1.00 0.00 H new ATOM 900 N GLY A 56 -0.347 -1.440 -11.109 1.00 0.00 N ATOM 901 CA GLY A 56 -0.450 -2.602 -10.239 1.00 0.00 C ATOM 902 C GLY A 56 0.351 -2.434 -8.952 1.00 0.00 C ATOM 903 O GLY A 56 0.741 -3.427 -8.344 1.00 0.00 O ATOM 0 HA2 GLY A 56 -1.497 -2.777 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -0.096 -3.485 -10.772 1.00 0.00 H new ATOM 907 N PHE A 57 0.609 -1.194 -8.528 1.00 0.00 N ATOM 908 CA PHE A 57 1.344 -0.917 -7.305 1.00 0.00 C ATOM 909 C PHE A 57 0.945 0.442 -6.746 1.00 0.00 C ATOM 910 O PHE A 57 0.490 1.313 -7.485 1.00 0.00 O ATOM 911 CB PHE A 57 2.839 -0.944 -7.592 1.00 0.00 C ATOM 912 CG PHE A 57 3.382 0.257 -8.330 1.00 0.00 C ATOM 913 CD1 PHE A 57 3.083 0.474 -9.682 1.00 0.00 C ATOM 914 CD2 PHE A 57 4.204 1.163 -7.645 1.00 0.00 C ATOM 915 CE1 PHE A 57 3.608 1.596 -10.345 1.00 0.00 C ATOM 916 CE2 PHE A 57 4.742 2.271 -8.309 1.00 0.00 C ATOM 917 CZ PHE A 57 4.439 2.494 -9.659 1.00 0.00 C ATOM 0 H PHE A 57 0.311 -0.357 -9.029 1.00 0.00 H new ATOM 0 HA PHE A 57 1.105 -1.681 -6.565 1.00 0.00 H new ATOM 0 HB2 PHE A 57 3.371 -1.038 -6.645 1.00 0.00 H new ATOM 0 HB3 PHE A 57 3.063 -1.838 -8.174 1.00 0.00 H new ATOM 0 HD1 PHE A 57 2.450 -0.221 -10.214 1.00 0.00 H new ATOM 0 HD2 PHE A 57 4.423 1.005 -6.599 1.00 0.00 H new ATOM 0 HE1 PHE A 57 3.371 1.767 -11.385 1.00 0.00 H new ATOM 0 HE2 PHE A 57 5.391 2.954 -7.781 1.00 0.00 H new ATOM 0 HZ PHE A 57 4.844 3.355 -10.170 1.00 0.00 H new ATOM 927 N ALA A 58 1.124 0.611 -5.437 1.00 0.00 N ATOM 928 CA ALA A 58 0.797 1.840 -4.742 1.00 0.00 C ATOM 929 C ALA A 58 2.087 2.526 -4.331 1.00 0.00 C ATOM 930 O ALA A 58 3.162 2.210 -4.834 1.00 0.00 O ATOM 931 CB ALA A 58 -0.066 1.533 -3.513 1.00 0.00 C ATOM 0 H ALA A 58 1.505 -0.114 -4.829 1.00 0.00 H new ATOM 0 HA ALA A 58 0.230 2.500 -5.398 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -0.307 2.462 -2.996 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -0.987 1.043 -3.828 1.00 0.00 H new ATOM 0 HB3 ALA A 58 0.482 0.875 -2.839 1.00 0.00 H new ATOM 937 N PHE A 59 1.962 3.473 -3.409 1.00 0.00 N ATOM 938 CA PHE A 59 3.084 4.193 -2.856 1.00 0.00 C ATOM 939 C PHE A 59 2.630 4.782 -1.542 1.00 0.00 C ATOM 940 O PHE A 59 2.492 5.997 -1.398 1.00 0.00 O ATOM 941 CB PHE A 59 3.547 5.245 -3.868 1.00 0.00 C ATOM 942 CG PHE A 59 5.043 5.411 -3.995 1.00 0.00 C ATOM 943 CD1 PHE A 59 5.851 5.607 -2.862 1.00 0.00 C ATOM 944 CD2 PHE A 59 5.624 5.376 -5.270 1.00 0.00 C ATOM 945 CE1 PHE A 59 7.232 5.779 -3.012 1.00 0.00 C ATOM 946 CE2 PHE A 59 7.005 5.538 -5.417 1.00 0.00 C ATOM 947 CZ PHE A 59 7.809 5.748 -4.288 1.00 0.00 C ATOM 0 H PHE A 59 1.062 3.760 -3.024 1.00 0.00 H new ATOM 0 HA PHE A 59 3.944 3.552 -2.663 1.00 0.00 H new ATOM 0 HB2 PHE A 59 3.143 4.985 -4.847 1.00 0.00 H new ATOM 0 HB3 PHE A 59 3.115 6.206 -3.590 1.00 0.00 H new ATOM 0 HD1 PHE A 59 5.407 5.625 -1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 59 5.004 5.224 -6.141 1.00 0.00 H new ATOM 0 HE1 PHE A 59 7.853 5.936 -2.143 1.00 0.00 H new ATOM 0 HE2 PHE A 59 7.452 5.501 -6.400 1.00 0.00 H new ATOM 0 HZ PHE A 59 8.874 5.886 -4.402 1.00 0.00 H new ATOM 957 N VAL A 60 2.390 3.905 -0.562 1.00 0.00 N ATOM 958 CA VAL A 60 2.185 4.497 0.753 1.00 0.00 C ATOM 959 C VAL A 60 3.563 4.882 1.254 1.00 0.00 C ATOM 960 O VAL A 60 4.502 4.103 1.089 1.00 0.00 O ATOM 961 CB VAL A 60 1.443 3.622 1.763 1.00 0.00 C ATOM 962 CG1 VAL A 60 0.357 2.743 1.151 1.00 0.00 C ATOM 963 CG2 VAL A 60 2.342 2.888 2.753 1.00 0.00 C ATOM 0 H VAL A 60 2.337 2.889 -0.638 1.00 0.00 H new ATOM 0 HA VAL A 60 1.519 5.353 0.648 1.00 0.00 H new ATOM 0 HB VAL A 60 0.904 4.343 2.377 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -0.120 2.155 1.935 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -0.389 3.372 0.665 1.00 0.00 H new ATOM 0 HG13 VAL A 60 0.803 2.073 0.415 1.00 0.00 H new ATOM 0 HG21 VAL A 60 1.729 2.293 3.430 1.00 0.00 H new ATOM 0 HG22 VAL A 60 3.023 2.233 2.210 1.00 0.00 H new ATOM 0 HG23 VAL A 60 2.918 3.613 3.328 1.00 0.00 H new ATOM 973 N ARG A 61 3.691 6.059 1.856 1.00 0.00 N ATOM 974 CA ARG A 61 4.961 6.517 2.383 1.00 0.00 C ATOM 975 C ARG A 61 4.803 7.013 3.792 1.00 0.00 C ATOM 976 O ARG A 61 3.912 7.786 4.128 1.00 0.00 O ATOM 977 CB ARG A 61 5.634 7.522 1.444 1.00 0.00 C ATOM 978 CG ARG A 61 6.548 8.484 2.210 1.00 0.00 C ATOM 979 CD ARG A 61 7.302 9.394 1.237 1.00 0.00 C ATOM 980 NE ARG A 61 8.425 10.065 1.904 1.00 0.00 N ATOM 981 CZ ARG A 61 8.339 11.195 2.614 1.00 0.00 C ATOM 982 NH1 ARG A 61 7.184 11.827 2.779 1.00 0.00 N ATOM 983 NH2 ARG A 61 9.433 11.703 3.167 1.00 0.00 N ATOM 0 H ARG A 61 2.921 6.715 1.989 1.00 0.00 H new ATOM 0 HA ARG A 61 5.645 5.670 2.432 1.00 0.00 H new ATOM 0 HB2 ARG A 61 6.215 6.987 0.693 1.00 0.00 H new ATOM 0 HB3 ARG A 61 4.872 8.090 0.911 1.00 0.00 H new ATOM 0 HG2 ARG A 61 5.956 9.088 2.898 1.00 0.00 H new ATOM 0 HG3 ARG A 61 7.258 7.918 2.813 1.00 0.00 H new ATOM 0 HD2 ARG A 61 7.672 8.806 0.397 1.00 0.00 H new ATOM 0 HD3 ARG A 61 6.620 10.139 0.828 1.00 0.00 H new ATOM 0 HE ARG A 61 9.346 9.634 1.819 1.00 0.00 H new ATOM 0 HH11 ARG A 61 6.333 11.452 2.359 1.00 0.00 H new ATOM 0 HH12 ARG A 61 7.147 12.687 3.326 1.00 0.00 H new ATOM 0 HH21 ARG A 61 10.330 11.232 3.049 1.00 0.00 H new ATOM 0 HH22 ARG A 61 9.377 12.564 3.710 1.00 0.00 H new ATOM 997 N PHE A 62 5.725 6.524 4.610 1.00 0.00 N ATOM 998 CA PHE A 62 5.717 6.844 6.025 1.00 0.00 C ATOM 999 C PHE A 62 6.780 7.879 6.309 1.00 0.00 C ATOM 1000 O PHE A 62 7.836 7.857 5.681 1.00 0.00 O ATOM 1001 CB PHE A 62 5.936 5.586 6.854 1.00 0.00 C ATOM 1002 CG PHE A 62 4.677 4.773 7.045 1.00 0.00 C ATOM 1003 CD1 PHE A 62 3.744 4.610 6.007 1.00 0.00 C ATOM 1004 CD2 PHE A 62 4.433 4.192 8.295 1.00 0.00 C ATOM 1005 CE1 PHE A 62 2.560 3.891 6.214 1.00 0.00 C ATOM 1006 CE2 PHE A 62 3.269 3.446 8.507 1.00 0.00 C ATOM 1007 CZ PHE A 62 2.337 3.298 7.470 1.00 0.00 C ATOM 0 H PHE A 62 6.483 5.908 4.317 1.00 0.00 H new ATOM 0 HA PHE A 62 4.746 7.256 6.301 1.00 0.00 H new ATOM 0 HB2 PHE A 62 6.691 4.966 6.370 1.00 0.00 H new ATOM 0 HB3 PHE A 62 6.332 5.866 7.830 1.00 0.00 H new ATOM 0 HD1 PHE A 62 3.942 5.044 5.038 1.00 0.00 H new ATOM 0 HD2 PHE A 62 5.145 4.320 9.097 1.00 0.00 H new ATOM 0 HE1 PHE A 62 1.831 3.794 5.423 1.00 0.00 H new ATOM 0 HE2 PHE A 62 3.089 2.985 9.467 1.00 0.00 H new ATOM 0 HZ PHE A 62 1.438 2.723 7.637 1.00 0.00 H new ATOM 1017 N HIS A 63 6.461 8.765 7.253 1.00 0.00 N ATOM 1018 CA HIS A 63 7.287 9.881 7.688 1.00 0.00 C ATOM 1019 C HIS A 63 8.152 9.491 8.891 1.00 0.00 C ATOM 1020 O HIS A 63 8.981 10.282 9.340 1.00 0.00 O ATOM 1021 CB HIS A 63 6.340 11.018 8.086 1.00 0.00 C ATOM 1022 CG HIS A 63 5.288 10.565 9.073 1.00 0.00 C ATOM 1023 ND1 HIS A 63 5.475 9.563 10.030 1.00 0.00 N ATOM 1024 CD2 HIS A 63 4.010 11.035 9.170 1.00 0.00 C ATOM 1025 CE1 HIS A 63 4.304 9.452 10.673 1.00 0.00 C ATOM 1026 NE2 HIS A 63 3.414 10.340 10.194 1.00 0.00 N ATOM 0 H HIS A 63 5.575 8.717 7.757 1.00 0.00 H new ATOM 0 HA HIS A 63 7.957 10.183 6.883 1.00 0.00 H new ATOM 0 HB2 HIS A 63 6.917 11.834 8.521 1.00 0.00 H new ATOM 0 HB3 HIS A 63 5.853 11.412 7.194 1.00 0.00 H new ATOM 0 HD2 HIS A 63 3.556 11.803 8.561 1.00 0.00 H new ATOM 0 HE1 HIS A 63 4.103 8.747 11.466 1.00 0.00 H new ATOM 0 HE2 HIS A 63 2.461 10.474 10.533 1.00 0.00 H new ATOM 1034 N ASP A 64 7.961 8.274 9.415 1.00 0.00 N ATOM 1035 CA ASP A 64 8.667 7.797 10.591 1.00 0.00 C ATOM 1036 C ASP A 64 8.877 6.288 10.473 1.00 0.00 C ATOM 1037 O ASP A 64 7.918 5.512 10.460 1.00 0.00 O ATOM 1038 CB ASP A 64 7.861 8.140 11.849 1.00 0.00 C ATOM 1039 CG ASP A 64 8.633 7.835 13.131 1.00 0.00 C ATOM 1040 OD1 ASP A 64 9.535 6.966 13.080 1.00 0.00 O ATOM 1041 OD2 ASP A 64 8.319 8.477 14.156 1.00 0.00 O ATOM 0 H ASP A 64 7.306 7.595 9.026 1.00 0.00 H new ATOM 0 HA ASP A 64 9.641 8.282 10.665 1.00 0.00 H new ATOM 0 HB2 ASP A 64 7.594 9.197 11.830 1.00 0.00 H new ATOM 0 HB3 ASP A 64 6.928 7.576 11.846 1.00 0.00 H new ATOM 1046 N LYS A 65 10.145 5.878 10.381 1.00 0.00 N ATOM 1047 CA LYS A 65 10.525 4.484 10.226 1.00 0.00 C ATOM 1048 C LYS A 65 9.984 3.587 11.331 1.00 0.00 C ATOM 1049 O LYS A 65 9.820 2.393 11.105 1.00 0.00 O ATOM 1050 CB LYS A 65 12.049 4.379 10.144 1.00 0.00 C ATOM 1051 CG LYS A 65 12.726 4.716 11.472 1.00 0.00 C ATOM 1052 CD LYS A 65 14.171 5.164 11.257 1.00 0.00 C ATOM 1053 CE LYS A 65 14.997 4.104 10.525 1.00 0.00 C ATOM 1054 NZ LYS A 65 16.347 4.617 10.223 1.00 0.00 N ATOM 0 H LYS A 65 10.940 6.516 10.413 1.00 0.00 H new ATOM 0 HA LYS A 65 10.074 4.126 9.301 1.00 0.00 H new ATOM 0 HB2 LYS A 65 12.326 3.368 9.844 1.00 0.00 H new ATOM 0 HB3 LYS A 65 12.416 5.053 9.370 1.00 0.00 H new ATOM 0 HG2 LYS A 65 12.169 5.505 11.977 1.00 0.00 H new ATOM 0 HG3 LYS A 65 12.706 3.844 12.125 1.00 0.00 H new ATOM 0 HD2 LYS A 65 14.182 6.091 10.684 1.00 0.00 H new ATOM 0 HD3 LYS A 65 14.631 5.380 12.221 1.00 0.00 H new ATOM 0 HE2 LYS A 65 15.072 3.206 11.138 1.00 0.00 H new ATOM 0 HE3 LYS A 65 14.495 3.818 9.601 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 16.894 3.885 9.726 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 16.271 5.461 9.620 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 16.830 4.867 11.110 1.00 0.00 H new ATOM 1068 N ARG A 66 9.700 4.127 12.518 1.00 0.00 N ATOM 1069 CA ARG A 66 9.198 3.322 13.625 1.00 0.00 C ATOM 1070 C ARG A 66 7.790 2.819 13.317 1.00 0.00 C ATOM 1071 O ARG A 66 7.494 1.634 13.484 1.00 0.00 O ATOM 1072 CB ARG A 66 9.192 4.158 14.907 1.00 0.00 C ATOM 1073 CG ARG A 66 10.603 4.597 15.311 1.00 0.00 C ATOM 1074 CD ARG A 66 11.504 3.400 15.627 1.00 0.00 C ATOM 1075 NE ARG A 66 10.995 2.635 16.771 1.00 0.00 N ATOM 1076 CZ ARG A 66 11.050 1.304 16.889 1.00 0.00 C ATOM 1077 NH1 ARG A 66 11.581 0.550 15.931 1.00 0.00 N ATOM 1078 NH2 ARG A 66 10.569 0.718 17.982 1.00 0.00 N ATOM 0 H ARG A 66 9.810 5.118 12.734 1.00 0.00 H new ATOM 0 HA ARG A 66 9.850 2.460 13.763 1.00 0.00 H new ATOM 0 HB2 ARG A 66 8.565 5.038 14.763 1.00 0.00 H new ATOM 0 HB3 ARG A 66 8.747 3.579 15.716 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.046 5.182 14.505 1.00 0.00 H new ATOM 0 HG3 ARG A 66 10.545 5.248 16.183 1.00 0.00 H new ATOM 0 HD2 ARG A 66 11.570 2.751 14.754 1.00 0.00 H new ATOM 0 HD3 ARG A 66 12.514 3.749 15.841 1.00 0.00 H new ATOM 0 HE ARG A 66 10.567 3.158 17.535 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.955 0.985 15.088 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.614 -0.464 16.039 1.00 0.00 H new ATOM 0 HH21 ARG A 66 10.160 1.284 18.726 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.609 -0.297 18.076 1.00 0.00 H new ATOM 1092 N ASP A 67 6.918 3.725 12.862 1.00 0.00 N ATOM 1093 CA ASP A 67 5.562 3.351 12.497 1.00 0.00 C ATOM 1094 C ASP A 67 5.595 2.467 11.253 1.00 0.00 C ATOM 1095 O ASP A 67 4.706 1.640 11.053 1.00 0.00 O ATOM 1096 CB ASP A 67 4.726 4.604 12.228 1.00 0.00 C ATOM 1097 CG ASP A 67 4.600 5.482 13.474 1.00 0.00 C ATOM 1098 OD1 ASP A 67 4.434 4.914 14.575 1.00 0.00 O ATOM 1099 OD2 ASP A 67 4.670 6.722 13.313 1.00 0.00 O ATOM 0 H ASP A 67 7.132 4.715 12.741 1.00 0.00 H new ATOM 0 HA ASP A 67 5.108 2.798 13.319 1.00 0.00 H new ATOM 0 HB2 ASP A 67 5.183 5.179 11.423 1.00 0.00 H new ATOM 0 HB3 ASP A 67 3.733 4.312 11.887 1.00 0.00 H new ATOM 1104 N ALA A 68 6.623 2.644 10.416 1.00 0.00 N ATOM 1105 CA ALA A 68 6.765 1.868 9.204 1.00 0.00 C ATOM 1106 C ALA A 68 7.316 0.476 9.497 1.00 0.00 C ATOM 1107 O ALA A 68 6.982 -0.470 8.789 1.00 0.00 O ATOM 1108 CB ALA A 68 7.725 2.614 8.281 1.00 0.00 C ATOM 0 H ALA A 68 7.367 3.325 10.567 1.00 0.00 H new ATOM 0 HA ALA A 68 5.788 1.744 8.738 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.852 2.051 7.356 1.00 0.00 H new ATOM 0 HB2 ALA A 68 7.319 3.599 8.053 1.00 0.00 H new ATOM 0 HB3 ALA A 68 8.691 2.725 8.774 1.00 0.00 H new ATOM 1114 N GLU A 69 8.153 0.345 10.531 1.00 0.00 N ATOM 1115 CA GLU A 69 8.722 -0.932 10.920 1.00 0.00 C ATOM 1116 C GLU A 69 7.627 -1.910 11.307 1.00 0.00 C ATOM 1117 O GLU A 69 7.608 -3.036 10.820 1.00 0.00 O ATOM 1118 CB GLU A 69 9.641 -0.746 12.127 1.00 0.00 C ATOM 1119 CG GLU A 69 11.071 -0.448 11.678 1.00 0.00 C ATOM 1120 CD GLU A 69 11.997 -0.305 12.883 1.00 0.00 C ATOM 1121 OE1 GLU A 69 12.401 -1.356 13.432 1.00 0.00 O ATOM 1122 OE2 GLU A 69 12.297 0.851 13.251 1.00 0.00 O ATOM 0 H GLU A 69 8.450 1.126 11.116 1.00 0.00 H new ATOM 0 HA GLU A 69 9.282 -1.323 10.071 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.272 0.070 12.748 1.00 0.00 H new ATOM 0 HB3 GLU A 69 9.628 -1.646 12.742 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.429 -1.249 11.031 1.00 0.00 H new ATOM 0 HG3 GLU A 69 11.089 0.469 11.089 1.00 0.00 H new ATOM 1129 N ASP A 70 6.711 -1.496 12.186 1.00 0.00 N ATOM 1130 CA ASP A 70 5.691 -2.421 12.646 1.00 0.00 C ATOM 1131 C ASP A 70 4.685 -2.721 11.532 1.00 0.00 C ATOM 1132 O ASP A 70 4.292 -3.870 11.342 1.00 0.00 O ATOM 1133 CB ASP A 70 4.984 -1.838 13.868 1.00 0.00 C ATOM 1134 CG ASP A 70 5.954 -1.521 15.004 1.00 0.00 C ATOM 1135 OD1 ASP A 70 6.805 -2.389 15.306 1.00 0.00 O ATOM 1136 OD2 ASP A 70 5.839 -0.409 15.566 1.00 0.00 O ATOM 0 H ASP A 70 6.659 -0.556 12.579 1.00 0.00 H new ATOM 0 HA ASP A 70 6.168 -3.361 12.925 1.00 0.00 H new ATOM 0 HB2 ASP A 70 4.456 -0.929 13.580 1.00 0.00 H new ATOM 0 HB3 ASP A 70 4.233 -2.544 14.221 1.00 0.00 H new ATOM 1141 N ALA A 71 4.272 -1.692 10.791 1.00 0.00 N ATOM 1142 CA ALA A 71 3.317 -1.868 9.714 1.00 0.00 C ATOM 1143 C ALA A 71 3.873 -2.830 8.672 1.00 0.00 C ATOM 1144 O ALA A 71 3.174 -3.746 8.251 1.00 0.00 O ATOM 1145 CB ALA A 71 2.999 -0.512 9.088 1.00 0.00 C ATOM 0 H ALA A 71 4.588 -0.731 10.923 1.00 0.00 H new ATOM 0 HA ALA A 71 2.396 -2.295 10.111 1.00 0.00 H new ATOM 0 HB1 ALA A 71 2.281 -0.644 8.278 1.00 0.00 H new ATOM 0 HB2 ALA A 71 2.575 0.148 9.845 1.00 0.00 H new ATOM 0 HB3 ALA A 71 3.914 -0.070 8.693 1.00 0.00 H new ATOM 1151 N MET A 72 5.127 -2.636 8.255 1.00 0.00 N ATOM 1152 CA MET A 72 5.775 -3.501 7.283 1.00 0.00 C ATOM 1153 C MET A 72 5.936 -4.913 7.843 1.00 0.00 C ATOM 1154 O MET A 72 5.738 -5.892 7.124 1.00 0.00 O ATOM 1155 CB MET A 72 7.134 -2.888 6.960 1.00 0.00 C ATOM 1156 CG MET A 72 8.043 -3.845 6.195 1.00 0.00 C ATOM 1157 SD MET A 72 9.456 -3.017 5.425 1.00 0.00 S ATOM 1158 CE MET A 72 9.940 -1.908 6.770 1.00 0.00 C ATOM 0 H MET A 72 5.717 -1.872 8.586 1.00 0.00 H new ATOM 0 HA MET A 72 5.171 -3.581 6.379 1.00 0.00 H new ATOM 0 HB2 MET A 72 6.989 -1.982 6.371 1.00 0.00 H new ATOM 0 HB3 MET A 72 7.624 -2.591 7.887 1.00 0.00 H new ATOM 0 HG2 MET A 72 8.407 -4.614 6.876 1.00 0.00 H new ATOM 0 HG3 MET A 72 7.462 -4.351 5.424 1.00 0.00 H new ATOM 0 HE1 MET A 72 10.966 -1.574 6.615 1.00 0.00 H new ATOM 0 HE2 MET A 72 9.276 -1.044 6.786 1.00 0.00 H new ATOM 0 HE3 MET A 72 9.870 -2.437 7.721 1.00 0.00 H new ATOM 1168 N ASP A 73 6.293 -5.025 9.123 1.00 0.00 N ATOM 1169 CA ASP A 73 6.436 -6.313 9.784 1.00 0.00 C ATOM 1170 C ASP A 73 5.070 -6.957 10.030 1.00 0.00 C ATOM 1171 O ASP A 73 4.993 -8.063 10.564 1.00 0.00 O ATOM 1172 CB ASP A 73 7.208 -6.129 11.091 1.00 0.00 C ATOM 1173 CG ASP A 73 7.541 -7.467 11.751 1.00 0.00 C ATOM 1174 OD1 ASP A 73 8.167 -8.307 11.071 1.00 0.00 O ATOM 1175 OD2 ASP A 73 7.165 -7.632 12.932 1.00 0.00 O ATOM 0 H ASP A 73 6.490 -4.225 9.725 1.00 0.00 H new ATOM 0 HA ASP A 73 6.997 -6.987 9.137 1.00 0.00 H new ATOM 0 HB2 ASP A 73 8.130 -5.582 10.894 1.00 0.00 H new ATOM 0 HB3 ASP A 73 6.618 -5.522 11.778 1.00 0.00 H new ATOM 1180 N ALA A 74 3.988 -6.273 9.644 1.00 0.00 N ATOM 1181 CA ALA A 74 2.634 -6.778 9.791 1.00 0.00 C ATOM 1182 C ALA A 74 1.813 -6.636 8.503 1.00 0.00 C ATOM 1183 O ALA A 74 0.610 -6.890 8.519 1.00 0.00 O ATOM 1184 CB ALA A 74 1.975 -6.032 10.951 1.00 0.00 C ATOM 0 H ALA A 74 4.036 -5.347 9.218 1.00 0.00 H new ATOM 0 HA ALA A 74 2.673 -7.847 10.001 1.00 0.00 H new ATOM 0 HB1 ALA A 74 0.955 -6.393 11.083 1.00 0.00 H new ATOM 0 HB2 ALA A 74 2.543 -6.206 11.865 1.00 0.00 H new ATOM 0 HB3 ALA A 74 1.957 -4.964 10.733 1.00 0.00 H new ATOM 1190 N MET A 75 2.442 -6.236 7.392 1.00 0.00 N ATOM 1191 CA MET A 75 1.734 -6.032 6.134 1.00 0.00 C ATOM 1192 C MET A 75 2.464 -6.581 4.908 1.00 0.00 C ATOM 1193 O MET A 75 1.826 -6.762 3.870 1.00 0.00 O ATOM 1194 CB MET A 75 1.486 -4.540 5.915 1.00 0.00 C ATOM 1195 CG MET A 75 0.387 -4.001 6.832 1.00 0.00 C ATOM 1196 SD MET A 75 -1.238 -4.778 6.593 1.00 0.00 S ATOM 1197 CE MET A 75 -1.336 -4.682 4.789 1.00 0.00 C ATOM 0 H MET A 75 3.443 -6.048 7.344 1.00 0.00 H new ATOM 0 HA MET A 75 0.801 -6.588 6.230 1.00 0.00 H new ATOM 0 HB2 MET A 75 2.409 -3.989 6.093 1.00 0.00 H new ATOM 0 HB3 MET A 75 1.208 -4.368 4.875 1.00 0.00 H new ATOM 0 HG2 MET A 75 0.694 -4.141 7.868 1.00 0.00 H new ATOM 0 HG3 MET A 75 0.290 -2.927 6.671 1.00 0.00 H new ATOM 0 HE1 MET A 75 -2.366 -4.845 4.471 1.00 0.00 H new ATOM 0 HE2 MET A 75 -1.006 -3.697 4.459 1.00 0.00 H new ATOM 0 HE3 MET A 75 -0.695 -5.446 4.349 1.00 0.00 H new ATOM 1207 N ASP A 76 3.770 -6.852 4.977 1.00 0.00 N ATOM 1208 CA ASP A 76 4.459 -7.415 3.827 1.00 0.00 C ATOM 1209 C ASP A 76 3.940 -8.826 3.546 1.00 0.00 C ATOM 1210 O ASP A 76 4.002 -9.705 4.404 1.00 0.00 O ATOM 1211 CB ASP A 76 5.974 -7.420 4.048 1.00 0.00 C ATOM 1212 CG ASP A 76 6.699 -7.856 2.777 1.00 0.00 C ATOM 1213 OD1 ASP A 76 6.393 -7.272 1.713 1.00 0.00 O ATOM 1214 OD2 ASP A 76 7.550 -8.767 2.880 1.00 0.00 O ATOM 0 H ASP A 76 4.354 -6.694 5.798 1.00 0.00 H new ATOM 0 HA ASP A 76 4.255 -6.791 2.957 1.00 0.00 H new ATOM 0 HB2 ASP A 76 6.308 -6.425 4.341 1.00 0.00 H new ATOM 0 HB3 ASP A 76 6.226 -8.094 4.867 1.00 0.00 H new ATOM 1219 N GLY A 77 3.424 -9.045 2.337 1.00 0.00 N ATOM 1220 CA GLY A 77 2.879 -10.332 1.925 1.00 0.00 C ATOM 1221 C GLY A 77 1.607 -10.671 2.693 1.00 0.00 C ATOM 1222 O GLY A 77 1.262 -11.840 2.851 1.00 0.00 O ATOM 0 H GLY A 77 3.373 -8.328 1.613 1.00 0.00 H new ATOM 0 HA2 GLY A 77 2.666 -10.313 0.856 1.00 0.00 H new ATOM 0 HA3 GLY A 77 3.623 -11.112 2.088 1.00 0.00 H new ATOM 1226 N ALA A 78 0.902 -9.643 3.177 1.00 0.00 N ATOM 1227 CA ALA A 78 -0.283 -9.803 4.003 1.00 0.00 C ATOM 1228 C ALA A 78 -1.544 -9.989 3.159 1.00 0.00 C ATOM 1229 O ALA A 78 -2.645 -10.033 3.697 1.00 0.00 O ATOM 1230 CB ALA A 78 -0.415 -8.592 4.923 1.00 0.00 C ATOM 0 H ALA A 78 1.147 -8.669 3.000 1.00 0.00 H new ATOM 0 HA ALA A 78 -0.172 -10.707 4.602 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -1.302 -8.704 5.547 1.00 0.00 H new ATOM 0 HB2 ALA A 78 0.468 -8.519 5.558 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -0.506 -7.687 4.322 1.00 0.00 H new ATOM 1236 N VAL A 79 -1.368 -10.100 1.838 1.00 0.00 N ATOM 1237 CA VAL A 79 -2.435 -10.315 0.860 1.00 0.00 C ATOM 1238 C VAL A 79 -3.732 -9.596 1.247 1.00 0.00 C ATOM 1239 O VAL A 79 -4.716 -10.201 1.671 1.00 0.00 O ATOM 1240 CB VAL A 79 -2.586 -11.812 0.547 1.00 0.00 C ATOM 1241 CG1 VAL A 79 -2.680 -12.677 1.799 1.00 0.00 C ATOM 1242 CG2 VAL A 79 -3.736 -12.060 -0.413 1.00 0.00 C ATOM 0 H VAL A 79 -0.445 -10.040 1.407 1.00 0.00 H new ATOM 0 HA VAL A 79 -2.152 -9.845 -0.082 1.00 0.00 H new ATOM 0 HB VAL A 79 -1.668 -12.122 0.047 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -2.785 -13.723 1.511 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -1.776 -12.554 2.395 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -3.546 -12.373 2.387 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -3.817 -13.128 -0.615 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -4.665 -11.703 0.032 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -3.552 -11.527 -1.346 1.00 0.00 H new ATOM 1252 N LEU A 80 -3.706 -8.269 1.084 1.00 0.00 N ATOM 1253 CA LEU A 80 -4.835 -7.389 1.333 1.00 0.00 C ATOM 1254 C LEU A 80 -6.044 -7.706 0.442 1.00 0.00 C ATOM 1255 O LEU A 80 -7.156 -7.286 0.762 1.00 0.00 O ATOM 1256 CB LEU A 80 -4.311 -5.952 1.175 1.00 0.00 C ATOM 1257 CG LEU A 80 -5.383 -4.883 0.954 1.00 0.00 C ATOM 1258 CD1 LEU A 80 -4.832 -3.532 1.393 1.00 0.00 C ATOM 1259 CD2 LEU A 80 -5.705 -4.785 -0.535 1.00 0.00 C ATOM 0 H LEU A 80 -2.874 -7.772 0.767 1.00 0.00 H new ATOM 0 HA LEU A 80 -5.224 -7.533 2.341 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -3.740 -5.691 2.066 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -3.618 -5.927 0.334 1.00 0.00 H new ATOM 0 HG LEU A 80 -6.275 -5.147 1.523 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -5.589 -2.763 1.239 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -4.566 -3.573 2.449 1.00 0.00 H new ATOM 0 HD13 LEU A 80 -3.946 -3.292 0.805 1.00 0.00 H new ATOM 0 HD21 LEU A 80 -6.469 -4.023 -0.693 1.00 0.00 H new ATOM 0 HD22 LEU A 80 -4.804 -4.514 -1.085 1.00 0.00 H new ATOM 0 HD23 LEU A 80 -6.073 -5.747 -0.892 1.00 0.00 H new ATOM 1271 N ASP A 81 -5.861 -8.436 -0.665 1.00 0.00 N ATOM 1272 CA ASP A 81 -6.971 -8.775 -1.546 1.00 0.00 C ATOM 1273 C ASP A 81 -6.855 -10.203 -2.074 1.00 0.00 C ATOM 1274 O ASP A 81 -7.839 -10.943 -2.051 1.00 0.00 O ATOM 1275 CB ASP A 81 -7.034 -7.775 -2.706 1.00 0.00 C ATOM 1276 CG ASP A 81 -8.168 -8.124 -3.668 1.00 0.00 C ATOM 1277 OD1 ASP A 81 -7.918 -8.939 -4.584 1.00 0.00 O ATOM 1278 OD2 ASP A 81 -9.277 -7.574 -3.480 1.00 0.00 O ATOM 0 H ASP A 81 -4.957 -8.799 -0.966 1.00 0.00 H new ATOM 0 HA ASP A 81 -7.894 -8.717 -0.969 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.181 -6.768 -2.315 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.085 -7.774 -3.242 1.00 0.00 H new ATOM 1283 N GLY A 82 -5.669 -10.602 -2.545 1.00 0.00 N ATOM 1284 CA GLY A 82 -5.464 -11.972 -3.000 1.00 0.00 C ATOM 1285 C GLY A 82 -4.281 -12.131 -3.949 1.00 0.00 C ATOM 1286 O GLY A 82 -4.264 -13.061 -4.752 1.00 0.00 O ATOM 0 H GLY A 82 -4.848 -10.001 -2.619 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -5.312 -12.615 -2.133 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.369 -12.319 -3.499 1.00 0.00 H new ATOM 1290 N ARG A 83 -3.294 -11.232 -3.869 1.00 0.00 N ATOM 1291 CA ARG A 83 -2.113 -11.291 -4.724 1.00 0.00 C ATOM 1292 C ARG A 83 -0.816 -11.152 -3.931 1.00 0.00 C ATOM 1293 O ARG A 83 0.252 -11.474 -4.446 1.00 0.00 O ATOM 1294 CB ARG A 83 -2.223 -10.207 -5.788 1.00 0.00 C ATOM 1295 CG ARG A 83 -2.652 -8.891 -5.142 1.00 0.00 C ATOM 1296 CD ARG A 83 -2.322 -7.758 -6.094 1.00 0.00 C ATOM 1297 NE ARG A 83 -2.929 -7.998 -7.412 1.00 0.00 N ATOM 1298 CZ ARG A 83 -2.250 -8.084 -8.560 1.00 0.00 C ATOM 1299 NH1 ARG A 83 -0.927 -7.927 -8.603 1.00 0.00 N ATOM 1300 NH2 ARG A 83 -2.902 -8.331 -9.692 1.00 0.00 N ATOM 0 H ARG A 83 -3.295 -10.450 -3.214 1.00 0.00 H new ATOM 0 HA ARG A 83 -2.076 -12.272 -5.197 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -1.265 -10.080 -6.292 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -2.946 -10.503 -6.548 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -3.720 -8.905 -4.926 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -2.137 -8.750 -4.192 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -2.686 -6.815 -5.686 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -1.241 -7.665 -6.197 1.00 0.00 H new ATOM 0 HE ARG A 83 -3.942 -8.107 -7.453 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -0.408 -7.736 -7.746 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -0.434 -7.998 -9.493 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -3.915 -8.454 -9.681 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -2.390 -8.398 -10.571 1.00 0.00 H new ATOM 1314 N GLU A 84 -0.929 -10.673 -2.689 1.00 0.00 N ATOM 1315 CA GLU A 84 0.101 -10.681 -1.654 1.00 0.00 C ATOM 1316 C GLU A 84 0.804 -9.335 -1.643 1.00 0.00 C ATOM 1317 O GLU A 84 1.746 -9.107 -2.397 1.00 0.00 O ATOM 1318 CB GLU A 84 1.066 -11.865 -1.790 1.00 0.00 C ATOM 1319 CG GLU A 84 1.173 -12.573 -0.441 1.00 0.00 C ATOM 1320 CD GLU A 84 2.346 -13.548 -0.414 1.00 0.00 C ATOM 1321 OE1 GLU A 84 3.491 -13.065 -0.555 1.00 0.00 O ATOM 1322 OE2 GLU A 84 2.088 -14.764 -0.253 1.00 0.00 O ATOM 0 H GLU A 84 -1.795 -10.244 -2.363 1.00 0.00 H new ATOM 0 HA GLU A 84 -0.374 -10.828 -0.684 1.00 0.00 H new ATOM 0 HB2 GLU A 84 0.708 -12.557 -2.552 1.00 0.00 H new ATOM 0 HB3 GLU A 84 2.047 -11.516 -2.112 1.00 0.00 H new ATOM 0 HG2 GLU A 84 1.294 -11.834 0.351 1.00 0.00 H new ATOM 0 HG3 GLU A 84 0.247 -13.110 -0.236 1.00 0.00 H new ATOM 1329 N LEU A 85 0.329 -8.441 -0.771 1.00 0.00 N ATOM 1330 CA LEU A 85 0.817 -7.081 -0.703 1.00 0.00 C ATOM 1331 C LEU A 85 2.332 -7.047 -0.524 1.00 0.00 C ATOM 1332 O LEU A 85 2.941 -8.039 -0.132 1.00 0.00 O ATOM 1333 CB LEU A 85 0.096 -6.384 0.458 1.00 0.00 C ATOM 1334 CG LEU A 85 0.284 -4.870 0.422 1.00 0.00 C ATOM 1335 CD1 LEU A 85 -0.302 -4.294 -0.856 1.00 0.00 C ATOM 1336 CD2 LEU A 85 -0.438 -4.270 1.615 1.00 0.00 C ATOM 0 H LEU A 85 -0.406 -8.651 -0.096 1.00 0.00 H new ATOM 0 HA LEU A 85 0.608 -6.558 -1.636 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -0.968 -6.618 0.417 1.00 0.00 H new ATOM 0 HB3 LEU A 85 0.472 -6.773 1.404 1.00 0.00 H new ATOM 0 HG LEU A 85 1.348 -4.635 0.456 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.160 -3.213 -0.867 1.00 0.00 H new ATOM 0 HD12 LEU A 85 0.200 -4.734 -1.717 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.367 -4.520 -0.902 1.00 0.00 H new ATOM 0 HD21 LEU A 85 -0.315 -3.187 1.607 1.00 0.00 H new ATOM 0 HD22 LEU A 85 -1.499 -4.516 1.560 1.00 0.00 H new ATOM 0 HD23 LEU A 85 -0.019 -4.676 2.536 1.00 0.00 H new ATOM 1348 N ARG A 86 2.948 -5.896 -0.809 1.00 0.00 N ATOM 1349 CA ARG A 86 4.386 -5.735 -0.671 1.00 0.00 C ATOM 1350 C ARG A 86 4.687 -4.468 0.104 1.00 0.00 C ATOM 1351 O ARG A 86 4.108 -3.417 -0.172 1.00 0.00 O ATOM 1352 CB ARG A 86 5.029 -5.666 -2.055 1.00 0.00 C ATOM 1353 CG ARG A 86 4.834 -6.949 -2.864 1.00 0.00 C ATOM 1354 CD ARG A 86 5.521 -8.128 -2.177 1.00 0.00 C ATOM 1355 NE ARG A 86 5.348 -9.370 -2.942 1.00 0.00 N ATOM 1356 CZ ARG A 86 4.895 -10.517 -2.421 1.00 0.00 C ATOM 1357 NH1 ARG A 86 4.550 -10.597 -1.136 1.00 0.00 N ATOM 1358 NH2 ARG A 86 4.779 -11.601 -3.184 1.00 0.00 N ATOM 0 H ARG A 86 2.464 -5.061 -1.138 1.00 0.00 H new ATOM 0 HA ARG A 86 4.795 -6.588 -0.129 1.00 0.00 H new ATOM 0 HB2 ARG A 86 4.605 -4.827 -2.606 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.096 -5.469 -1.946 1.00 0.00 H new ATOM 0 HG2 ARG A 86 3.770 -7.156 -2.976 1.00 0.00 H new ATOM 0 HG3 ARG A 86 5.241 -6.818 -3.867 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.584 -7.915 -2.062 1.00 0.00 H new ATOM 0 HD3 ARG A 86 5.111 -8.256 -1.175 1.00 0.00 H new ATOM 0 HE ARG A 86 5.588 -9.358 -3.933 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.629 -9.777 -0.535 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.207 -11.478 -0.754 1.00 0.00 H new ATOM 0 HH21 ARG A 86 5.036 -11.560 -4.170 1.00 0.00 H new ATOM 0 HH22 ARG A 86 4.433 -12.473 -2.783 1.00 0.00 H new ATOM 1372 N VAL A 87 5.595 -4.568 1.077 1.00 0.00 N ATOM 1373 CA VAL A 87 5.963 -3.431 1.903 1.00 0.00 C ATOM 1374 C VAL A 87 7.472 -3.407 2.108 1.00 0.00 C ATOM 1375 O VAL A 87 8.086 -4.431 2.394 1.00 0.00 O ATOM 1376 CB VAL A 87 5.241 -3.514 3.251 1.00 0.00 C ATOM 1377 CG1 VAL A 87 5.453 -2.199 3.989 1.00 0.00 C ATOM 1378 CG2 VAL A 87 3.751 -3.808 3.084 1.00 0.00 C ATOM 0 H VAL A 87 6.087 -5.431 1.308 1.00 0.00 H new ATOM 0 HA VAL A 87 5.665 -2.510 1.402 1.00 0.00 H new ATOM 0 HB VAL A 87 5.657 -4.341 3.827 1.00 0.00 H new ATOM 0 HG11 VAL A 87 4.946 -2.237 4.953 1.00 0.00 H new ATOM 0 HG12 VAL A 87 6.520 -2.038 4.146 1.00 0.00 H new ATOM 0 HG13 VAL A 87 5.045 -1.380 3.397 1.00 0.00 H new ATOM 0 HG21 VAL A 87 3.278 -3.858 4.065 1.00 0.00 H new ATOM 0 HG22 VAL A 87 3.287 -3.015 2.498 1.00 0.00 H new ATOM 0 HG23 VAL A 87 3.623 -4.761 2.570 1.00 0.00 H new ATOM 1388 N GLN A 88 8.055 -2.219 1.956 1.00 0.00 N ATOM 1389 CA GLN A 88 9.490 -2.015 2.044 1.00 0.00 C ATOM 1390 C GLN A 88 9.812 -0.526 2.121 1.00 0.00 C ATOM 1391 O GLN A 88 9.063 0.308 1.629 1.00 0.00 O ATOM 1392 CB GLN A 88 10.153 -2.623 0.804 1.00 0.00 C ATOM 1393 CG GLN A 88 9.468 -2.174 -0.491 1.00 0.00 C ATOM 1394 CD GLN A 88 10.204 -2.679 -1.726 1.00 0.00 C ATOM 1395 OE1 GLN A 88 11.416 -2.882 -1.703 1.00 0.00 O ATOM 1396 NE2 GLN A 88 9.474 -2.889 -2.818 1.00 0.00 N ATOM 0 H GLN A 88 7.533 -1.364 1.766 1.00 0.00 H new ATOM 0 HA GLN A 88 9.869 -2.497 2.945 1.00 0.00 H new ATOM 0 HB2 GLN A 88 11.204 -2.335 0.777 1.00 0.00 H new ATOM 0 HB3 GLN A 88 10.122 -3.710 0.873 1.00 0.00 H new ATOM 0 HG2 GLN A 88 8.441 -2.540 -0.505 1.00 0.00 H new ATOM 0 HG3 GLN A 88 9.419 -1.085 -0.517 1.00 0.00 H new ATOM 0 HE21 GLN A 88 8.470 -2.710 -2.802 1.00 0.00 H new ATOM 0 HE22 GLN A 88 9.918 -3.229 -3.671 1.00 0.00 H new ATOM 1405 N MET A 89 10.941 -0.195 2.747 1.00 0.00 N ATOM 1406 CA MET A 89 11.461 1.162 2.802 1.00 0.00 C ATOM 1407 C MET A 89 11.534 1.765 1.396 1.00 0.00 C ATOM 1408 O MET A 89 11.906 1.085 0.442 1.00 0.00 O ATOM 1409 CB MET A 89 12.841 1.126 3.463 1.00 0.00 C ATOM 1410 CG MET A 89 12.657 0.806 4.947 1.00 0.00 C ATOM 1411 SD MET A 89 12.095 2.230 5.910 1.00 0.00 S ATOM 1412 CE MET A 89 11.411 1.357 7.340 1.00 0.00 C ATOM 0 H MET A 89 11.525 -0.874 3.235 1.00 0.00 H new ATOM 0 HA MET A 89 10.796 1.794 3.391 1.00 0.00 H new ATOM 0 HB2 MET A 89 13.470 0.373 2.988 1.00 0.00 H new ATOM 0 HB3 MET A 89 13.345 2.085 3.341 1.00 0.00 H new ATOM 0 HG2 MET A 89 11.936 -0.005 5.052 1.00 0.00 H new ATOM 0 HG3 MET A 89 13.602 0.447 5.356 1.00 0.00 H new ATOM 0 HE1 MET A 89 11.489 1.990 8.224 1.00 0.00 H new ATOM 0 HE2 MET A 89 10.363 1.120 7.154 1.00 0.00 H new ATOM 0 HE3 MET A 89 11.968 0.435 7.504 1.00 0.00 H new ATOM 1422 N ALA A 90 11.176 3.044 1.284 1.00 0.00 N ATOM 1423 CA ALA A 90 11.148 3.764 0.018 1.00 0.00 C ATOM 1424 C ALA A 90 12.533 4.256 -0.401 1.00 0.00 C ATOM 1425 O ALA A 90 12.652 4.940 -1.417 1.00 0.00 O ATOM 1426 CB ALA A 90 10.180 4.943 0.153 1.00 0.00 C ATOM 0 H ALA A 90 10.894 3.613 2.082 1.00 0.00 H new ATOM 0 HA ALA A 90 10.813 3.081 -0.763 1.00 0.00 H new ATOM 0 HB1 ALA A 90 10.146 5.495 -0.786 1.00 0.00 H new ATOM 0 HB2 ALA A 90 9.184 4.570 0.392 1.00 0.00 H new ATOM 0 HB3 ALA A 90 10.521 5.604 0.950 1.00 0.00 H new