USER MOD reduce.3.24.130724 H: found=0, std=0, add=524, rem=0, adj=12 USER MOD reduce.3.24.130724 removed 443 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 22 SER OG : rot -114:sc= -3.39! USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 THR OG1 : rot 180:sc= -0.103 USER MOD Single : A 30 GLN : amide:sc= 0.272 X(o=0.27,f=0) USER MOD Single : A 31 TYR OH : rot 145:sc= 0.295 USER MOD Single : A 32 THR OG1 : rot 127:sc= -2.6! USER MOD Single : A 38 HIS : no HD1:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 43 SER OG : rot 180:sc= -0.563 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl 149:sc= -1.47 (180deg=-3.13!) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 52 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 55 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 THR OG1 : rot -54:sc= 0.128 USER MOD Single : A 58 ASN : amide:sc= -0.327 K(o=-0.33,f=-1.6!) USER MOD Single : A 60 GLN : amide:sc= -0.228 K(o=-0.23,f=-2.5!) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 CYS SG : rot 180:sc= -0.0446 USER MOD ----------------------------------------------------------------- ATOM 214 N VAL A 19 -6.248 5.006 1.215 1.00 0.00 N ATOM 215 CA VAL A 19 -6.725 3.706 0.775 1.00 0.00 C ATOM 216 C VAL A 19 -5.828 3.193 -0.353 1.00 0.00 C ATOM 217 O VAL A 19 -5.803 3.766 -1.441 1.00 0.00 O ATOM 218 CB VAL A 19 -8.198 3.799 0.371 1.00 0.00 C ATOM 219 CG1 VAL A 19 -8.370 4.654 -0.886 1.00 0.00 C ATOM 220 CG2 VAL A 19 -8.801 2.406 0.174 1.00 0.00 C ATOM 0 HA VAL A 19 -6.669 2.983 1.589 1.00 0.00 H new ATOM 0 HB VAL A 19 -8.738 4.286 1.183 1.00 0.00 H new ATOM 0 HG11 VAL A 19 -9.426 4.703 -1.151 1.00 0.00 H new ATOM 0 HG12 VAL A 19 -7.996 5.660 -0.696 1.00 0.00 H new ATOM 0 HG13 VAL A 19 -7.810 4.209 -1.708 1.00 0.00 H new ATOM 0 HG21 VAL A 19 -9.848 2.500 -0.113 1.00 0.00 H new ATOM 0 HG22 VAL A 19 -8.256 1.881 -0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 19 -8.729 1.843 1.105 1.00 0.00 H new ATOM 230 N LEU A 20 -5.112 2.119 -0.055 1.00 0.00 N ATOM 231 CA LEU A 20 -4.215 1.522 -1.030 1.00 0.00 C ATOM 232 C LEU A 20 -5.036 0.765 -2.076 1.00 0.00 C ATOM 233 O LEU A 20 -5.282 -0.431 -1.930 1.00 0.00 O ATOM 234 CB LEU A 20 -3.163 0.658 -0.332 1.00 0.00 C ATOM 235 CG LEU A 20 -1.875 1.374 0.083 1.00 0.00 C ATOM 236 CD1 LEU A 20 -1.272 0.735 1.335 1.00 0.00 C ATOM 237 CD2 LEU A 20 -0.877 1.422 -1.075 1.00 0.00 C ATOM 0 H LEU A 20 -5.135 1.646 0.849 1.00 0.00 H new ATOM 0 HA LEU A 20 -3.659 2.296 -1.559 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -3.614 0.219 0.558 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -2.900 -0.166 -0.995 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.123 2.405 0.336 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -0.358 1.262 1.608 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -1.987 0.798 2.156 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.041 -0.311 1.134 1.00 0.00 H new ATOM 0 HD21 LEU A 20 0.029 1.936 -0.753 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -0.628 0.407 -1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -1.319 1.958 -1.915 1.00 0.00 H new ATOM 248 N ARG A 21 -5.438 1.494 -3.107 1.00 0.00 N ATOM 249 CA ARG A 21 -6.227 0.907 -4.176 1.00 0.00 C ATOM 250 C ARG A 21 -5.328 0.104 -5.119 1.00 0.00 C ATOM 251 O ARG A 21 -4.168 0.458 -5.327 1.00 0.00 O ATOM 252 CB ARG A 21 -6.960 1.985 -4.977 1.00 0.00 C ATOM 253 CG ARG A 21 -8.136 2.554 -4.181 1.00 0.00 C ATOM 254 CD ARG A 21 -9.129 3.265 -5.102 1.00 0.00 C ATOM 255 NE ARG A 21 -10.464 2.636 -4.990 1.00 0.00 N ATOM 256 CZ ARG A 21 -11.442 2.784 -5.894 1.00 0.00 C ATOM 257 NH1 ARG A 21 -11.240 3.541 -6.982 1.00 0.00 N ATOM 258 NH2 ARG A 21 -12.622 2.176 -5.711 1.00 0.00 N ATOM 0 H ARG A 21 -5.232 2.486 -3.224 1.00 0.00 H new ATOM 0 HA ARG A 21 -6.964 0.246 -3.719 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -6.268 2.787 -5.233 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -7.321 1.564 -5.915 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -8.642 1.749 -3.647 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -7.767 3.252 -3.430 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -9.192 4.320 -4.837 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -8.780 3.216 -6.134 1.00 0.00 H new ATOM 0 HE ARG A 21 -10.651 2.054 -4.174 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -10.342 4.004 -7.122 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -11.984 3.654 -7.670 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -12.776 1.600 -4.883 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -13.366 2.289 -6.399 1.00 0.00 H new ATOM 269 N SER A 22 -5.898 -0.960 -5.664 1.00 0.00 N ATOM 270 CA SER A 22 -5.162 -1.816 -6.581 1.00 0.00 C ATOM 271 C SER A 22 -5.011 -1.123 -7.936 1.00 0.00 C ATOM 272 O SER A 22 -5.970 -0.561 -8.461 1.00 0.00 O ATOM 273 CB SER A 22 -5.858 -3.168 -6.750 1.00 0.00 C ATOM 274 OG SER A 22 -5.329 -3.906 -7.848 1.00 0.00 O ATOM 0 H SER A 22 -6.860 -1.250 -5.489 1.00 0.00 H new ATOM 0 HA SER A 22 -4.173 -1.997 -6.161 1.00 0.00 H new ATOM 0 HB2 SER A 22 -5.747 -3.750 -5.835 1.00 0.00 H new ATOM 0 HB3 SER A 22 -6.926 -3.010 -6.900 1.00 0.00 H new ATOM 0 HG SER A 22 -6.016 -3.999 -8.541 1.00 0.00 H new ATOM 279 N PRO A 23 -3.764 -1.187 -8.477 1.00 0.00 N ATOM 280 CA PRO A 23 -3.474 -0.572 -9.762 1.00 0.00 C ATOM 281 C PRO A 23 -4.053 -1.401 -10.910 1.00 0.00 C ATOM 282 O PRO A 23 -4.273 -0.885 -12.004 1.00 0.00 O ATOM 283 CB PRO A 23 -1.960 -0.465 -9.813 1.00 0.00 C ATOM 284 CG PRO A 23 -1.436 -1.438 -8.769 1.00 0.00 C ATOM 285 CD PRO A 23 -2.603 -1.844 -7.884 1.00 0.00 C ATOM 0 HA PRO A 23 -3.934 0.410 -9.872 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -1.584 -0.717 -10.805 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -1.633 0.552 -9.597 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -0.998 -2.313 -9.249 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -0.650 -0.973 -8.174 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.728 -2.927 -7.865 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -2.449 -1.523 -6.854 1.00 0.00 H new ATOM 290 N SER A 24 -4.286 -2.674 -10.621 1.00 0.00 N ATOM 291 CA SER A 24 -4.835 -3.579 -11.614 1.00 0.00 C ATOM 292 C SER A 24 -5.159 -4.929 -10.971 1.00 0.00 C ATOM 293 O SER A 24 -4.708 -5.216 -9.863 1.00 0.00 O ATOM 294 CB SER A 24 -3.867 -3.767 -12.784 1.00 0.00 C ATOM 295 OG SER A 24 -4.551 -3.887 -14.029 1.00 0.00 O ATOM 0 H SER A 24 -4.104 -3.099 -9.712 1.00 0.00 H new ATOM 0 HA SER A 24 -5.753 -3.140 -12.004 1.00 0.00 H new ATOM 0 HB2 SER A 24 -3.182 -2.921 -12.827 1.00 0.00 H new ATOM 0 HB3 SER A 24 -3.263 -4.658 -12.615 1.00 0.00 H new ATOM 0 HG SER A 24 -3.898 -4.004 -14.751 1.00 0.00 H new ATOM 300 N ALA A 25 -5.937 -5.722 -11.694 1.00 0.00 N ATOM 301 CA ALA A 25 -6.325 -7.035 -11.207 1.00 0.00 C ATOM 302 C ALA A 25 -5.077 -7.904 -11.045 1.00 0.00 C ATOM 303 O ALA A 25 -3.982 -7.502 -11.437 1.00 0.00 O ATOM 304 CB ALA A 25 -7.347 -7.652 -12.165 1.00 0.00 C ATOM 0 H ALA A 25 -6.309 -5.481 -12.613 1.00 0.00 H new ATOM 0 HA ALA A 25 -6.800 -6.957 -10.229 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -7.639 -8.637 -11.801 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -8.227 -7.011 -12.221 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -6.904 -7.748 -13.156 1.00 0.00 H new ATOM 310 N GLY A 26 -5.284 -9.078 -10.469 1.00 0.00 N ATOM 311 CA GLY A 26 -4.188 -10.008 -10.250 1.00 0.00 C ATOM 312 C GLY A 26 -4.545 -11.033 -9.172 1.00 0.00 C ATOM 313 O GLY A 26 -5.617 -11.634 -9.211 1.00 0.00 O ATOM 0 H GLY A 26 -6.194 -9.408 -10.147 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -3.951 -10.522 -11.181 1.00 0.00 H new ATOM 0 HA3 GLY A 26 -3.294 -9.459 -9.953 1.00 0.00 H new ATOM 317 N LYS A 27 -3.625 -11.200 -8.233 1.00 0.00 N ATOM 318 CA LYS A 27 -3.829 -12.142 -7.145 1.00 0.00 C ATOM 319 C LYS A 27 -2.855 -11.821 -6.010 1.00 0.00 C ATOM 320 O LYS A 27 -1.641 -11.938 -6.177 1.00 0.00 O ATOM 321 CB LYS A 27 -3.727 -13.580 -7.656 1.00 0.00 C ATOM 322 CG LYS A 27 -4.373 -14.558 -6.671 1.00 0.00 C ATOM 323 CD LYS A 27 -4.606 -15.921 -7.325 1.00 0.00 C ATOM 324 CE LYS A 27 -5.449 -16.826 -6.424 1.00 0.00 C ATOM 325 NZ LYS A 27 -5.443 -18.215 -6.933 1.00 0.00 N ATOM 0 H LYS A 27 -2.737 -10.699 -8.203 1.00 0.00 H new ATOM 0 HA LYS A 27 -4.836 -12.044 -6.739 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -4.215 -13.660 -8.627 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.680 -13.844 -7.803 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.733 -14.675 -5.797 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -5.322 -14.152 -6.320 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -5.108 -15.787 -8.283 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.648 -16.398 -7.531 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.057 -16.803 -5.407 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -6.472 -16.453 -6.380 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -6.020 -18.816 -6.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.838 -18.234 -7.895 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -4.467 -18.573 -6.953 1.00 0.00 H new ATOM 335 N LEU A 28 -3.421 -11.425 -4.880 1.00 0.00 N ATOM 336 CA LEU A 28 -2.618 -11.088 -3.718 1.00 0.00 C ATOM 337 C LEU A 28 -1.876 -12.336 -3.236 1.00 0.00 C ATOM 338 O LEU A 28 -2.286 -13.458 -3.528 1.00 0.00 O ATOM 339 CB LEU A 28 -3.483 -10.433 -2.640 1.00 0.00 C ATOM 340 CG LEU A 28 -2.730 -9.691 -1.533 1.00 0.00 C ATOM 341 CD1 LEU A 28 -2.104 -8.401 -2.065 1.00 0.00 C ATOM 342 CD2 LEU A 28 -3.639 -9.434 -0.329 1.00 0.00 C ATOM 0 H LEU A 28 -4.427 -11.330 -4.745 1.00 0.00 H new ATOM 0 HA LEU A 28 -1.862 -10.348 -3.980 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -4.161 -9.731 -3.124 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -4.099 -11.205 -2.178 1.00 0.00 H new ATOM 0 HG LEU A 28 -1.914 -10.327 -1.190 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.575 -7.894 -1.258 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -1.403 -8.640 -2.865 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.887 -7.749 -2.452 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -3.080 -8.906 0.443 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -4.491 -8.828 -0.639 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -3.995 -10.385 0.068 1.00 0.00 H new ATOM 353 N THR A 29 -0.796 -12.099 -2.506 1.00 0.00 N ATOM 354 CA THR A 29 0.008 -13.189 -1.982 1.00 0.00 C ATOM 355 C THR A 29 0.318 -12.960 -0.501 1.00 0.00 C ATOM 356 O THR A 29 -0.120 -13.727 0.354 1.00 0.00 O ATOM 357 CB THR A 29 1.260 -13.316 -2.852 1.00 0.00 C ATOM 358 OG1 THR A 29 1.877 -12.035 -2.761 1.00 0.00 O ATOM 359 CG2 THR A 29 0.927 -13.466 -4.338 1.00 0.00 C ATOM 0 H THR A 29 -0.459 -11.167 -2.265 1.00 0.00 H new ATOM 0 HA THR A 29 -0.533 -14.134 -2.026 1.00 0.00 H new ATOM 0 HB THR A 29 1.846 -14.175 -2.523 1.00 0.00 H new ATOM 0 HG1 THR A 29 2.699 -12.029 -3.295 1.00 0.00 H new ATOM 0 HG21 THR A 29 1.850 -13.552 -4.911 1.00 0.00 H new ATOM 0 HG22 THR A 29 0.323 -14.361 -4.487 1.00 0.00 H new ATOM 0 HG23 THR A 29 0.371 -12.592 -4.676 1.00 0.00 H new ATOM 367 N GLN A 30 1.070 -11.900 -0.244 1.00 0.00 N ATOM 368 CA GLN A 30 1.443 -11.559 1.118 1.00 0.00 C ATOM 369 C GLN A 30 2.132 -10.193 1.154 1.00 0.00 C ATOM 370 O GLN A 30 2.507 -9.656 0.113 1.00 0.00 O ATOM 371 CB GLN A 30 2.336 -12.641 1.728 1.00 0.00 C ATOM 372 CG GLN A 30 3.716 -12.649 1.068 1.00 0.00 C ATOM 373 CD GLN A 30 4.728 -13.418 1.920 1.00 0.00 C ATOM 374 OE1 GLN A 30 4.949 -14.605 1.746 1.00 0.00 O ATOM 375 NE2 GLN A 30 5.327 -12.679 2.848 1.00 0.00 N ATOM 0 H GLN A 30 1.431 -11.266 -0.956 1.00 0.00 H new ATOM 0 HA GLN A 30 0.536 -11.501 1.719 1.00 0.00 H new ATOM 0 HB2 GLN A 30 2.442 -12.469 2.799 1.00 0.00 H new ATOM 0 HB3 GLN A 30 1.865 -13.617 1.607 1.00 0.00 H new ATOM 0 HG2 GLN A 30 3.648 -13.104 0.080 1.00 0.00 H new ATOM 0 HG3 GLN A 30 4.060 -11.625 0.924 1.00 0.00 H new ATOM 0 HE21 GLN A 30 5.095 -11.690 2.940 1.00 0.00 H new ATOM 0 HE22 GLN A 30 6.018 -13.101 3.468 1.00 0.00 H new ATOM 382 N TYR A 31 2.278 -9.671 2.363 1.00 0.00 N ATOM 383 CA TYR A 31 2.916 -8.380 2.548 1.00 0.00 C ATOM 384 C TYR A 31 4.411 -8.541 2.829 1.00 0.00 C ATOM 385 O TYR A 31 4.856 -9.609 3.248 1.00 0.00 O ATOM 386 CB TYR A 31 2.245 -7.749 3.770 1.00 0.00 C ATOM 387 CG TYR A 31 0.722 -7.649 3.661 1.00 0.00 C ATOM 388 CD1 TYR A 31 0.145 -6.554 3.051 1.00 0.00 C ATOM 389 CD2 TYR A 31 -0.074 -8.653 4.175 1.00 0.00 C ATOM 390 CE1 TYR A 31 -1.289 -6.460 2.949 1.00 0.00 C ATOM 391 CE2 TYR A 31 -1.507 -8.559 4.072 1.00 0.00 C ATOM 392 CZ TYR A 31 -2.043 -7.467 3.464 1.00 0.00 C ATOM 393 OH TYR A 31 -3.397 -7.378 3.368 1.00 0.00 O ATOM 0 H TYR A 31 1.965 -10.119 3.224 1.00 0.00 H new ATOM 0 HA TYR A 31 2.812 -7.769 1.651 1.00 0.00 H new ATOM 0 HB2 TYR A 31 2.498 -8.335 4.654 1.00 0.00 H new ATOM 0 HB3 TYR A 31 2.655 -6.750 3.921 1.00 0.00 H new ATOM 0 HD1 TYR A 31 0.768 -5.768 2.650 1.00 0.00 H new ATOM 0 HD2 TYR A 31 0.378 -9.509 4.654 1.00 0.00 H new ATOM 0 HE1 TYR A 31 -1.754 -5.609 2.474 1.00 0.00 H new ATOM 0 HE2 TYR A 31 -2.142 -9.338 4.468 1.00 0.00 H new ATOM 0 HH TYR A 31 -3.774 -8.271 3.228 1.00 0.00 H new ATOM 402 N THR A 32 5.146 -7.465 2.585 1.00 0.00 N ATOM 403 CA THR A 32 6.582 -7.475 2.807 1.00 0.00 C ATOM 404 C THR A 32 6.931 -6.698 4.078 1.00 0.00 C ATOM 405 O THR A 32 8.094 -6.638 4.474 1.00 0.00 O ATOM 406 CB THR A 32 7.257 -6.920 1.551 1.00 0.00 C ATOM 407 OG1 THR A 32 6.438 -5.817 1.174 1.00 0.00 O ATOM 408 CG2 THR A 32 7.161 -7.879 0.362 1.00 0.00 C ATOM 0 H THR A 32 4.774 -6.582 2.236 1.00 0.00 H new ATOM 0 HA THR A 32 6.950 -8.488 2.972 1.00 0.00 H new ATOM 0 HB THR A 32 8.305 -6.711 1.765 1.00 0.00 H new ATOM 0 HG1 THR A 32 6.994 -5.016 1.072 1.00 0.00 H new ATOM 0 HG21 THR A 32 7.655 -7.437 -0.503 1.00 0.00 H new ATOM 0 HG22 THR A 32 7.646 -8.822 0.615 1.00 0.00 H new ATOM 0 HG23 THR A 32 6.113 -8.062 0.126 1.00 0.00 H new ATOM 416 N VAL A 33 5.902 -6.122 4.681 1.00 0.00 N ATOM 417 CA VAL A 33 6.084 -5.351 5.900 1.00 0.00 C ATOM 418 C VAL A 33 5.310 -6.016 7.040 1.00 0.00 C ATOM 419 O VAL A 33 4.382 -6.785 6.798 1.00 0.00 O ATOM 420 CB VAL A 33 5.672 -3.896 5.666 1.00 0.00 C ATOM 421 CG1 VAL A 33 6.248 -3.368 4.351 1.00 0.00 C ATOM 422 CG2 VAL A 33 4.150 -3.746 5.697 1.00 0.00 C ATOM 0 H VAL A 33 4.939 -6.173 4.349 1.00 0.00 H new ATOM 0 HA VAL A 33 7.135 -5.335 6.188 1.00 0.00 H new ATOM 0 HB VAL A 33 6.085 -3.296 6.477 1.00 0.00 H new ATOM 0 HG11 VAL A 33 5.940 -2.332 4.209 1.00 0.00 H new ATOM 0 HG12 VAL A 33 7.336 -3.422 4.383 1.00 0.00 H new ATOM 0 HG13 VAL A 33 5.879 -3.973 3.523 1.00 0.00 H new ATOM 0 HG21 VAL A 33 3.884 -2.703 5.528 1.00 0.00 H new ATOM 0 HG22 VAL A 33 3.707 -4.364 4.916 1.00 0.00 H new ATOM 0 HG23 VAL A 33 3.773 -4.064 6.669 1.00 0.00 H new ATOM 432 N GLU A 34 5.721 -5.695 8.258 1.00 0.00 N ATOM 433 CA GLU A 34 5.078 -6.251 9.436 1.00 0.00 C ATOM 434 C GLU A 34 3.829 -5.441 9.791 1.00 0.00 C ATOM 435 O GLU A 34 3.501 -4.470 9.111 1.00 0.00 O ATOM 436 CB GLU A 34 6.050 -6.306 10.616 1.00 0.00 C ATOM 437 CG GLU A 34 6.415 -4.899 11.093 1.00 0.00 C ATOM 438 CD GLU A 34 7.931 -4.739 11.221 1.00 0.00 C ATOM 439 OE1 GLU A 34 8.461 -5.167 12.268 1.00 0.00 O ATOM 440 OE2 GLU A 34 8.526 -4.192 10.266 1.00 0.00 O ATOM 0 H GLU A 34 6.492 -5.057 8.454 1.00 0.00 H new ATOM 0 HA GLU A 34 4.772 -7.273 9.212 1.00 0.00 H new ATOM 0 HB2 GLU A 34 5.601 -6.866 11.436 1.00 0.00 H new ATOM 0 HB3 GLU A 34 6.954 -6.840 10.322 1.00 0.00 H new ATOM 0 HG2 GLU A 34 6.026 -4.161 10.391 1.00 0.00 H new ATOM 0 HG3 GLU A 34 5.943 -4.704 12.056 1.00 0.00 H new ATOM 445 N ASP A 35 3.169 -5.870 10.856 1.00 0.00 N ATOM 446 CA ASP A 35 1.964 -5.197 11.310 1.00 0.00 C ATOM 447 C ASP A 35 2.262 -3.711 11.519 1.00 0.00 C ATOM 448 O ASP A 35 3.089 -3.352 12.357 1.00 0.00 O ATOM 449 CB ASP A 35 1.479 -5.773 12.642 1.00 0.00 C ATOM 450 CG ASP A 35 1.684 -7.281 12.807 1.00 0.00 C ATOM 451 OD1 ASP A 35 0.811 -8.029 12.320 1.00 0.00 O ATOM 452 OD2 ASP A 35 2.711 -7.649 13.417 1.00 0.00 O ATOM 0 H ASP A 35 3.446 -6.675 11.418 1.00 0.00 H new ATOM 0 HA ASP A 35 1.193 -5.340 10.553 1.00 0.00 H new ATOM 0 HB2 ASP A 35 1.997 -5.260 13.453 1.00 0.00 H new ATOM 0 HB3 ASP A 35 0.417 -5.552 12.751 1.00 0.00 H new ATOM 456 N GLY A 36 1.574 -2.887 10.743 1.00 0.00 N ATOM 457 CA GLY A 36 1.755 -1.448 10.832 1.00 0.00 C ATOM 458 C GLY A 36 3.108 -1.029 10.254 1.00 0.00 C ATOM 459 O GLY A 36 3.700 -0.046 10.698 1.00 0.00 O ATOM 0 H GLY A 36 0.890 -3.188 10.049 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.953 -0.943 10.293 1.00 0.00 H new ATOM 0 HA3 GLY A 36 1.687 -1.133 11.873 1.00 0.00 H new ATOM 463 N GLY A 37 3.557 -1.794 9.270 1.00 0.00 N ATOM 464 CA GLY A 37 4.829 -1.514 8.626 1.00 0.00 C ATOM 465 C GLY A 37 4.845 -0.105 8.033 1.00 0.00 C ATOM 466 O GLY A 37 3.835 0.363 7.508 1.00 0.00 O ATOM 0 H GLY A 37 3.063 -2.607 8.903 1.00 0.00 H new ATOM 0 HA2 GLY A 37 5.637 -1.617 9.350 1.00 0.00 H new ATOM 0 HA3 GLY A 37 5.011 -2.246 7.839 1.00 0.00 H new ATOM 470 N HIS A 38 6.002 0.533 8.134 1.00 0.00 N ATOM 471 CA HIS A 38 6.162 1.880 7.614 1.00 0.00 C ATOM 472 C HIS A 38 7.154 1.866 6.450 1.00 0.00 C ATOM 473 O HIS A 38 8.325 1.535 6.632 1.00 0.00 O ATOM 474 CB HIS A 38 6.567 2.848 8.727 1.00 0.00 C ATOM 475 CG HIS A 38 6.788 4.266 8.258 1.00 0.00 C ATOM 476 ND1 HIS A 38 5.869 4.950 7.482 1.00 0.00 N ATOM 477 CD2 HIS A 38 7.831 5.122 8.465 1.00 0.00 C ATOM 478 CE1 HIS A 38 6.347 6.161 7.238 1.00 0.00 C ATOM 479 NE2 HIS A 38 7.563 6.265 7.847 1.00 0.00 N ATOM 0 H HIS A 38 6.838 0.142 8.568 1.00 0.00 H new ATOM 0 HA HIS A 38 5.208 2.240 7.229 1.00 0.00 H new ATOM 0 HB2 HIS A 38 5.793 2.847 9.495 1.00 0.00 H new ATOM 0 HB3 HIS A 38 7.482 2.485 9.195 1.00 0.00 H new ATOM 0 HD2 HIS A 38 8.723 4.906 9.035 1.00 0.00 H new ATOM 0 HE1 HIS A 38 5.859 6.931 6.658 1.00 0.00 H new ATOM 0 HE2 HIS A 38 8.167 7.087 7.830 1.00 0.00 H new ATOM 486 N VAL A 39 6.650 2.229 5.280 1.00 0.00 N ATOM 487 CA VAL A 39 7.478 2.262 4.086 1.00 0.00 C ATOM 488 C VAL A 39 7.509 3.688 3.532 1.00 0.00 C ATOM 489 O VAL A 39 6.730 4.539 3.956 1.00 0.00 O ATOM 490 CB VAL A 39 6.973 1.236 3.071 1.00 0.00 C ATOM 491 CG1 VAL A 39 7.403 -0.179 3.459 1.00 0.00 C ATOM 492 CG2 VAL A 39 5.453 1.323 2.912 1.00 0.00 C ATOM 0 H VAL A 39 5.679 2.503 5.133 1.00 0.00 H new ATOM 0 HA VAL A 39 8.505 1.984 4.324 1.00 0.00 H new ATOM 0 HB VAL A 39 7.425 1.470 2.107 1.00 0.00 H new ATOM 0 HG11 VAL A 39 7.030 -0.888 2.720 1.00 0.00 H new ATOM 0 HG12 VAL A 39 8.491 -0.231 3.496 1.00 0.00 H new ATOM 0 HG13 VAL A 39 6.995 -0.428 4.439 1.00 0.00 H new ATOM 0 HG21 VAL A 39 5.120 0.583 2.184 1.00 0.00 H new ATOM 0 HG22 VAL A 39 4.975 1.129 3.872 1.00 0.00 H new ATOM 0 HG23 VAL A 39 5.180 2.320 2.566 1.00 0.00 H new ATOM 502 N GLU A 40 8.417 3.903 2.591 1.00 0.00 N ATOM 503 CA GLU A 40 8.559 5.210 1.974 1.00 0.00 C ATOM 504 C GLU A 40 7.901 5.221 0.592 1.00 0.00 C ATOM 505 O GLU A 40 7.720 4.170 -0.021 1.00 0.00 O ATOM 506 CB GLU A 40 10.031 5.616 1.883 1.00 0.00 C ATOM 507 CG GLU A 40 10.786 4.724 0.896 1.00 0.00 C ATOM 508 CD GLU A 40 12.284 4.703 1.209 1.00 0.00 C ATOM 509 OE1 GLU A 40 12.661 3.940 2.124 1.00 0.00 O ATOM 510 OE2 GLU A 40 13.016 5.451 0.526 1.00 0.00 O ATOM 0 H GLU A 40 9.061 3.194 2.241 1.00 0.00 H new ATOM 0 HA GLU A 40 8.051 5.943 2.602 1.00 0.00 H new ATOM 0 HB2 GLU A 40 10.106 6.657 1.569 1.00 0.00 H new ATOM 0 HB3 GLU A 40 10.493 5.546 2.868 1.00 0.00 H new ATOM 0 HG2 GLU A 40 10.388 3.710 0.939 1.00 0.00 H new ATOM 0 HG3 GLU A 40 10.628 5.086 -0.120 1.00 0.00 H new ATOM 515 N ALA A 41 7.561 6.419 0.143 1.00 0.00 N ATOM 516 CA ALA A 41 6.927 6.580 -1.154 1.00 0.00 C ATOM 517 C ALA A 41 7.898 6.137 -2.250 1.00 0.00 C ATOM 518 O ALA A 41 8.802 6.883 -2.621 1.00 0.00 O ATOM 519 CB ALA A 41 6.476 8.031 -1.326 1.00 0.00 C ATOM 0 H ALA A 41 7.713 7.288 0.654 1.00 0.00 H new ATOM 0 HA ALA A 41 6.039 5.952 -1.227 1.00 0.00 H new ATOM 0 HB1 ALA A 41 6.000 8.151 -2.299 1.00 0.00 H new ATOM 0 HB2 ALA A 41 5.765 8.286 -0.541 1.00 0.00 H new ATOM 0 HB3 ALA A 41 7.341 8.691 -1.261 1.00 0.00 H new ATOM 525 N GLY A 42 7.677 4.925 -2.737 1.00 0.00 N ATOM 526 CA GLY A 42 8.522 4.374 -3.783 1.00 0.00 C ATOM 527 C GLY A 42 8.978 2.957 -3.430 1.00 0.00 C ATOM 528 O GLY A 42 9.488 2.233 -4.285 1.00 0.00 O ATOM 0 H GLY A 42 6.925 4.309 -2.427 1.00 0.00 H new ATOM 0 HA2 GLY A 42 7.976 4.360 -4.726 1.00 0.00 H new ATOM 0 HA3 GLY A 42 9.392 5.014 -3.928 1.00 0.00 H new ATOM 532 N SER A 43 8.779 2.602 -2.169 1.00 0.00 N ATOM 533 CA SER A 43 9.163 1.285 -1.692 1.00 0.00 C ATOM 534 C SER A 43 8.044 0.279 -1.971 1.00 0.00 C ATOM 535 O SER A 43 7.048 0.616 -2.611 1.00 0.00 O ATOM 536 CB SER A 43 9.490 1.313 -0.198 1.00 0.00 C ATOM 537 OG SER A 43 10.860 1.622 0.043 1.00 0.00 O ATOM 0 H SER A 43 8.356 3.205 -1.463 1.00 0.00 H new ATOM 0 HA SER A 43 10.061 0.977 -2.227 1.00 0.00 H new ATOM 0 HB2 SER A 43 8.859 2.051 0.297 1.00 0.00 H new ATOM 0 HB3 SER A 43 9.254 0.345 0.243 1.00 0.00 H new ATOM 0 HG SER A 43 11.028 1.632 1.008 1.00 0.00 H new ATOM 542 N SER A 44 8.244 -0.934 -1.478 1.00 0.00 N ATOM 543 CA SER A 44 7.263 -1.989 -1.666 1.00 0.00 C ATOM 544 C SER A 44 6.790 -2.512 -0.309 1.00 0.00 C ATOM 545 O SER A 44 7.601 -2.750 0.586 1.00 0.00 O ATOM 546 CB SER A 44 7.839 -3.133 -2.504 1.00 0.00 C ATOM 547 OG SER A 44 9.202 -3.398 -2.181 1.00 0.00 O ATOM 0 H SER A 44 9.071 -1.210 -0.949 1.00 0.00 H new ATOM 0 HA SER A 44 6.412 -1.572 -2.204 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.247 -4.034 -2.343 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.759 -2.883 -3.562 1.00 0.00 H new ATOM 0 HG SER A 44 9.532 -4.135 -2.736 1.00 0.00 H new ATOM 552 N TYR A 45 5.480 -2.675 -0.198 1.00 0.00 N ATOM 553 CA TYR A 45 4.889 -3.165 1.036 1.00 0.00 C ATOM 554 C TYR A 45 4.206 -4.517 0.818 1.00 0.00 C ATOM 555 O TYR A 45 3.895 -5.222 1.777 1.00 0.00 O ATOM 556 CB TYR A 45 3.833 -2.134 1.437 1.00 0.00 C ATOM 557 CG TYR A 45 2.501 -2.288 0.702 1.00 0.00 C ATOM 558 CD1 TYR A 45 1.657 -3.335 1.015 1.00 0.00 C ATOM 559 CD2 TYR A 45 2.141 -1.382 -0.274 1.00 0.00 C ATOM 560 CE1 TYR A 45 0.403 -3.481 0.323 1.00 0.00 C ATOM 561 CE2 TYR A 45 0.887 -1.528 -0.967 1.00 0.00 C ATOM 562 CZ TYR A 45 0.080 -2.570 -0.634 1.00 0.00 C ATOM 563 OH TYR A 45 -1.104 -2.708 -1.287 1.00 0.00 O ATOM 0 H TYR A 45 4.811 -2.477 -0.942 1.00 0.00 H new ATOM 0 HA TYR A 45 5.654 -3.299 1.800 1.00 0.00 H new ATOM 0 HB2 TYR A 45 3.655 -2.210 2.510 1.00 0.00 H new ATOM 0 HB3 TYR A 45 4.226 -1.135 1.249 1.00 0.00 H new ATOM 0 HD1 TYR A 45 1.938 -4.045 1.779 1.00 0.00 H new ATOM 0 HD2 TYR A 45 2.800 -0.562 -0.519 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -0.266 -4.295 0.558 1.00 0.00 H new ATOM 0 HE2 TYR A 45 0.594 -0.826 -1.734 1.00 0.00 H new ATOM 0 HH TYR A 45 -1.202 -1.986 -1.942 1.00 0.00 H new ATOM 572 N ALA A 46 3.995 -4.840 -0.450 1.00 0.00 N ATOM 573 CA ALA A 46 3.355 -6.094 -0.806 1.00 0.00 C ATOM 574 C ALA A 46 3.551 -6.355 -2.301 1.00 0.00 C ATOM 575 O ALA A 46 4.190 -5.565 -2.994 1.00 0.00 O ATOM 576 CB ALA A 46 1.877 -6.044 -0.412 1.00 0.00 C ATOM 0 H ALA A 46 4.256 -4.254 -1.243 1.00 0.00 H new ATOM 0 HA ALA A 46 3.809 -6.924 -0.264 1.00 0.00 H new ATOM 0 HB1 ALA A 46 1.397 -6.985 -0.679 1.00 0.00 H new ATOM 0 HB2 ALA A 46 1.792 -5.886 0.663 1.00 0.00 H new ATOM 0 HB3 ALA A 46 1.388 -5.225 -0.939 1.00 0.00 H new ATOM 582 N GLU A 47 2.987 -7.465 -2.754 1.00 0.00 N ATOM 583 CA GLU A 47 3.093 -7.840 -4.154 1.00 0.00 C ATOM 584 C GLU A 47 1.756 -8.390 -4.658 1.00 0.00 C ATOM 585 O GLU A 47 0.784 -8.453 -3.907 1.00 0.00 O ATOM 586 CB GLU A 47 4.218 -8.854 -4.367 1.00 0.00 C ATOM 587 CG GLU A 47 5.548 -8.319 -3.830 1.00 0.00 C ATOM 588 CD GLU A 47 6.720 -8.807 -4.684 1.00 0.00 C ATOM 589 OE1 GLU A 47 6.513 -8.936 -5.911 1.00 0.00 O ATOM 590 OE2 GLU A 47 7.795 -9.039 -4.091 1.00 0.00 O ATOM 0 H GLU A 47 2.455 -8.117 -2.177 1.00 0.00 H new ATOM 0 HA GLU A 47 3.339 -6.949 -4.731 1.00 0.00 H new ATOM 0 HB2 GLU A 47 3.969 -9.789 -3.866 1.00 0.00 H new ATOM 0 HB3 GLU A 47 4.314 -9.078 -5.429 1.00 0.00 H new ATOM 0 HG2 GLU A 47 5.529 -7.229 -3.821 1.00 0.00 H new ATOM 0 HG3 GLU A 47 5.685 -8.644 -2.799 1.00 0.00 H new ATOM 595 N MET A 48 1.751 -8.774 -5.926 1.00 0.00 N ATOM 596 CA MET A 48 0.550 -9.316 -6.539 1.00 0.00 C ATOM 597 C MET A 48 0.889 -10.102 -7.806 1.00 0.00 C ATOM 598 O MET A 48 1.913 -9.854 -8.441 1.00 0.00 O ATOM 599 CB MET A 48 -0.406 -8.174 -6.886 1.00 0.00 C ATOM 600 CG MET A 48 0.294 -7.113 -7.738 1.00 0.00 C ATOM 601 SD MET A 48 -0.474 -7.018 -9.347 1.00 0.00 S ATOM 602 CE MET A 48 -2.165 -6.710 -8.866 1.00 0.00 C ATOM 0 H MET A 48 2.559 -8.721 -6.546 1.00 0.00 H new ATOM 0 HA MET A 48 0.076 -9.994 -5.829 1.00 0.00 H new ATOM 0 HB2 MET A 48 -1.268 -8.568 -7.425 1.00 0.00 H new ATOM 0 HB3 MET A 48 -0.783 -7.719 -5.970 1.00 0.00 H new ATOM 0 HG2 MET A 48 0.241 -6.144 -7.243 1.00 0.00 H new ATOM 0 HG3 MET A 48 1.351 -7.359 -7.844 1.00 0.00 H new ATOM 0 HE1 MET A 48 -2.656 -6.105 -9.629 1.00 0.00 H new ATOM 0 HE2 MET A 48 -2.692 -7.658 -8.760 1.00 0.00 H new ATOM 0 HE3 MET A 48 -2.182 -6.178 -7.915 1.00 0.00 H new ATOM 610 N GLU A 49 0.009 -11.035 -8.139 1.00 0.00 N ATOM 611 CA GLU A 49 0.202 -11.859 -9.320 1.00 0.00 C ATOM 612 C GLU A 49 -0.898 -11.581 -10.347 1.00 0.00 C ATOM 613 O GLU A 49 -2.073 -11.831 -10.086 1.00 0.00 O ATOM 614 CB GLU A 49 0.244 -13.344 -8.952 1.00 0.00 C ATOM 615 CG GLU A 49 0.356 -14.216 -10.205 1.00 0.00 C ATOM 616 CD GLU A 49 0.721 -15.656 -9.838 1.00 0.00 C ATOM 617 OE1 GLU A 49 0.098 -16.175 -8.888 1.00 0.00 O ATOM 618 OE2 GLU A 49 1.616 -16.205 -10.518 1.00 0.00 O ATOM 0 H GLU A 49 -0.840 -11.239 -7.611 1.00 0.00 H new ATOM 0 HA GLU A 49 1.163 -11.601 -9.766 1.00 0.00 H new ATOM 0 HB2 GLU A 49 1.092 -13.536 -8.294 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -0.656 -13.611 -8.398 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -0.589 -14.203 -10.747 1.00 0.00 H new ATOM 0 HG3 GLU A 49 1.112 -13.804 -10.873 1.00 0.00 H new ATOM 623 N VAL A 50 -0.476 -11.066 -11.494 1.00 0.00 N ATOM 624 CA VAL A 50 -1.410 -10.750 -12.561 1.00 0.00 C ATOM 625 C VAL A 50 -0.844 -11.249 -13.892 1.00 0.00 C ATOM 626 O VAL A 50 0.368 -11.228 -14.102 1.00 0.00 O ATOM 627 CB VAL A 50 -1.713 -9.251 -12.564 1.00 0.00 C ATOM 628 CG1 VAL A 50 -0.422 -8.431 -12.535 1.00 0.00 C ATOM 629 CG2 VAL A 50 -2.578 -8.869 -13.768 1.00 0.00 C ATOM 0 H VAL A 50 0.500 -10.860 -11.707 1.00 0.00 H new ATOM 0 HA VAL A 50 -2.360 -11.259 -12.401 1.00 0.00 H new ATOM 0 HB VAL A 50 -2.277 -9.021 -11.660 1.00 0.00 H new ATOM 0 HG11 VAL A 50 -0.666 -7.369 -12.538 1.00 0.00 H new ATOM 0 HG12 VAL A 50 0.142 -8.672 -11.634 1.00 0.00 H new ATOM 0 HG13 VAL A 50 0.179 -8.668 -13.413 1.00 0.00 H new ATOM 0 HG21 VAL A 50 -2.779 -7.798 -13.746 1.00 0.00 H new ATOM 0 HG22 VAL A 50 -2.052 -9.121 -14.689 1.00 0.00 H new ATOM 0 HG23 VAL A 50 -3.520 -9.416 -13.727 1.00 0.00 H new ATOM 639 N MET A 51 -1.748 -11.686 -14.756 1.00 0.00 N ATOM 640 CA MET A 51 -1.354 -12.190 -16.060 1.00 0.00 C ATOM 641 C MET A 51 -0.298 -13.288 -15.929 1.00 0.00 C ATOM 642 O MET A 51 0.511 -13.489 -16.834 1.00 0.00 O ATOM 643 CB MET A 51 -0.795 -11.041 -16.903 1.00 0.00 C ATOM 644 CG MET A 51 -1.904 -10.363 -17.710 1.00 0.00 C ATOM 645 SD MET A 51 -2.215 -11.278 -19.210 1.00 0.00 S ATOM 646 CE MET A 51 -1.364 -10.241 -20.389 1.00 0.00 C ATOM 0 H MET A 51 -2.752 -11.701 -14.578 1.00 0.00 H new ATOM 0 HA MET A 51 -2.233 -12.615 -16.545 1.00 0.00 H new ATOM 0 HB2 MET A 51 -0.314 -10.310 -16.254 1.00 0.00 H new ATOM 0 HB3 MET A 51 -0.029 -11.420 -17.579 1.00 0.00 H new ATOM 0 HG2 MET A 51 -2.815 -10.305 -17.114 1.00 0.00 H new ATOM 0 HG3 MET A 51 -1.616 -9.340 -17.952 1.00 0.00 H new ATOM 0 HE1 MET A 51 -1.459 -10.670 -21.386 1.00 0.00 H new ATOM 0 HE2 MET A 51 -1.803 -9.243 -20.380 1.00 0.00 H new ATOM 0 HE3 MET A 51 -0.309 -10.175 -20.121 1.00 0.00 H new ATOM 654 N LYS A 52 -0.337 -13.970 -14.793 1.00 0.00 N ATOM 655 CA LYS A 52 0.607 -15.043 -14.531 1.00 0.00 C ATOM 656 C LYS A 52 1.976 -14.443 -14.208 1.00 0.00 C ATOM 657 O LYS A 52 2.982 -15.153 -14.198 1.00 0.00 O ATOM 658 CB LYS A 52 0.629 -16.034 -15.696 1.00 0.00 C ATOM 659 CG LYS A 52 0.024 -17.378 -15.284 1.00 0.00 C ATOM 660 CD LYS A 52 0.524 -18.505 -16.190 1.00 0.00 C ATOM 661 CE LYS A 52 0.442 -19.857 -15.478 1.00 0.00 C ATOM 662 NZ LYS A 52 1.774 -20.501 -15.430 1.00 0.00 N ATOM 0 H LYS A 52 -1.008 -13.800 -14.044 1.00 0.00 H new ATOM 0 HA LYS A 52 0.297 -15.619 -13.659 1.00 0.00 H new ATOM 0 HB2 LYS A 52 0.072 -15.623 -16.538 1.00 0.00 H new ATOM 0 HB3 LYS A 52 1.655 -16.181 -16.034 1.00 0.00 H new ATOM 0 HG2 LYS A 52 0.285 -17.596 -14.248 1.00 0.00 H new ATOM 0 HG3 LYS A 52 -1.063 -17.322 -15.334 1.00 0.00 H new ATOM 0 HD2 LYS A 52 -0.071 -18.534 -17.103 1.00 0.00 H new ATOM 0 HD3 LYS A 52 1.554 -18.308 -16.487 1.00 0.00 H new ATOM 0 HE2 LYS A 52 0.062 -19.719 -14.466 1.00 0.00 H new ATOM 0 HE3 LYS A 52 -0.263 -20.506 -15.997 1.00 0.00 H new ATOM 0 HZ1 LYS A 52 1.699 -21.417 -14.943 1.00 0.00 H new ATOM 0 HZ2 LYS A 52 2.122 -20.651 -16.398 1.00 0.00 H new ATOM 0 HZ3 LYS A 52 2.437 -19.888 -14.914 1.00 0.00 H new ATOM 672 N MET A 53 1.973 -13.143 -13.952 1.00 0.00 N ATOM 673 CA MET A 53 3.202 -12.440 -13.630 1.00 0.00 C ATOM 674 C MET A 53 3.126 -11.812 -12.236 1.00 0.00 C ATOM 675 O MET A 53 2.089 -11.276 -11.849 1.00 0.00 O ATOM 676 CB MET A 53 3.453 -11.346 -14.670 1.00 0.00 C ATOM 677 CG MET A 53 3.182 -11.862 -16.085 1.00 0.00 C ATOM 678 SD MET A 53 3.562 -10.592 -17.281 1.00 0.00 S ATOM 679 CE MET A 53 5.245 -11.035 -17.678 1.00 0.00 C ATOM 0 H MET A 53 1.137 -12.558 -13.961 1.00 0.00 H new ATOM 0 HA MET A 53 4.022 -13.158 -13.640 1.00 0.00 H new ATOM 0 HB2 MET A 53 2.813 -10.489 -14.463 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.484 -10.999 -14.597 1.00 0.00 H new ATOM 0 HG2 MET A 53 3.786 -12.749 -16.279 1.00 0.00 H new ATOM 0 HG3 MET A 53 2.138 -12.160 -16.178 1.00 0.00 H new ATOM 0 HE1 MET A 53 5.640 -10.338 -18.418 1.00 0.00 H new ATOM 0 HE2 MET A 53 5.855 -10.991 -16.776 1.00 0.00 H new ATOM 0 HE3 MET A 53 5.269 -12.047 -18.083 1.00 0.00 H new ATOM 687 N ILE A 54 4.238 -11.900 -11.522 1.00 0.00 N ATOM 688 CA ILE A 54 4.311 -11.347 -10.180 1.00 0.00 C ATOM 689 C ILE A 54 4.740 -9.881 -10.259 1.00 0.00 C ATOM 690 O ILE A 54 5.707 -9.550 -10.943 1.00 0.00 O ATOM 691 CB ILE A 54 5.216 -12.206 -9.295 1.00 0.00 C ATOM 692 CG1 ILE A 54 4.889 -13.692 -9.455 1.00 0.00 C ATOM 693 CG2 ILE A 54 5.142 -11.757 -7.834 1.00 0.00 C ATOM 694 CD1 ILE A 54 3.524 -14.021 -8.848 1.00 0.00 C ATOM 0 H ILE A 54 5.096 -12.346 -11.847 1.00 0.00 H new ATOM 0 HA ILE A 54 3.329 -11.367 -9.706 1.00 0.00 H new ATOM 0 HB ILE A 54 6.246 -12.066 -9.623 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.894 -13.958 -10.512 1.00 0.00 H new ATOM 0 HG13 ILE A 54 5.660 -14.292 -8.972 1.00 0.00 H new ATOM 0 HG21 ILE A 54 5.795 -12.384 -7.227 1.00 0.00 H new ATOM 0 HG22 ILE A 54 5.462 -10.718 -7.756 1.00 0.00 H new ATOM 0 HG23 ILE A 54 4.116 -11.848 -7.477 1.00 0.00 H new ATOM 0 HD11 ILE A 54 3.316 -15.083 -8.975 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.530 -13.777 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 54 2.752 -13.437 -9.350 1.00 0.00 H new ATOM 705 N MET A 55 4.000 -9.042 -9.550 1.00 0.00 N ATOM 706 CA MET A 55 4.292 -7.618 -9.531 1.00 0.00 C ATOM 707 C MET A 55 4.327 -7.084 -8.098 1.00 0.00 C ATOM 708 O MET A 55 3.494 -7.457 -7.272 1.00 0.00 O ATOM 709 CB MET A 55 3.223 -6.867 -10.330 1.00 0.00 C ATOM 710 CG MET A 55 3.276 -7.250 -11.811 1.00 0.00 C ATOM 711 SD MET A 55 2.127 -6.249 -12.741 1.00 0.00 S ATOM 712 CE MET A 55 3.264 -5.111 -13.515 1.00 0.00 C ATOM 0 H MET A 55 3.198 -9.320 -8.984 1.00 0.00 H new ATOM 0 HA MET A 55 5.272 -7.461 -9.981 1.00 0.00 H new ATOM 0 HB2 MET A 55 2.236 -7.094 -9.927 1.00 0.00 H new ATOM 0 HB3 MET A 55 3.372 -5.792 -10.223 1.00 0.00 H new ATOM 0 HG2 MET A 55 4.286 -7.111 -12.195 1.00 0.00 H new ATOM 0 HG3 MET A 55 3.032 -8.305 -11.931 1.00 0.00 H new ATOM 0 HE1 MET A 55 2.709 -4.409 -14.138 1.00 0.00 H new ATOM 0 HE2 MET A 55 3.809 -4.562 -12.747 1.00 0.00 H new ATOM 0 HE3 MET A 55 3.969 -5.666 -14.134 1.00 0.00 H new ATOM 720 N THR A 56 5.299 -6.220 -7.847 1.00 0.00 N ATOM 721 CA THR A 56 5.454 -5.631 -6.527 1.00 0.00 C ATOM 722 C THR A 56 4.492 -4.455 -6.353 1.00 0.00 C ATOM 723 O THR A 56 4.139 -3.786 -7.323 1.00 0.00 O ATOM 724 CB THR A 56 6.924 -5.245 -6.351 1.00 0.00 C ATOM 725 OG1 THR A 56 7.631 -6.209 -7.126 1.00 0.00 O ATOM 726 CG2 THR A 56 7.423 -5.476 -4.923 1.00 0.00 C ATOM 0 H THR A 56 5.987 -5.913 -8.535 1.00 0.00 H new ATOM 0 HA THR A 56 5.194 -6.342 -5.743 1.00 0.00 H new ATOM 0 HB THR A 56 7.058 -4.197 -6.617 1.00 0.00 H new ATOM 0 HG1 THR A 56 7.372 -7.111 -6.843 1.00 0.00 H new ATOM 0 HG21 THR A 56 8.471 -5.186 -4.853 1.00 0.00 H new ATOM 0 HG22 THR A 56 6.833 -4.876 -4.230 1.00 0.00 H new ATOM 0 HG23 THR A 56 7.320 -6.531 -4.668 1.00 0.00 H new ATOM 734 N LEU A 57 4.094 -4.237 -5.107 1.00 0.00 N ATOM 735 CA LEU A 57 3.179 -3.153 -4.793 1.00 0.00 C ATOM 736 C LEU A 57 3.908 -2.105 -3.949 1.00 0.00 C ATOM 737 O LEU A 57 4.484 -2.429 -2.912 1.00 0.00 O ATOM 738 CB LEU A 57 1.909 -3.697 -4.135 1.00 0.00 C ATOM 739 CG LEU A 57 0.817 -4.187 -5.088 1.00 0.00 C ATOM 740 CD1 LEU A 57 0.046 -5.361 -4.481 1.00 0.00 C ATOM 741 CD2 LEU A 57 -0.110 -3.041 -5.495 1.00 0.00 C ATOM 0 H LEU A 57 4.389 -4.793 -4.304 1.00 0.00 H new ATOM 0 HA LEU A 57 2.850 -2.656 -5.706 1.00 0.00 H new ATOM 0 HB2 LEU A 57 2.188 -4.522 -3.479 1.00 0.00 H new ATOM 0 HB3 LEU A 57 1.488 -2.915 -3.503 1.00 0.00 H new ATOM 0 HG LEU A 57 1.295 -4.552 -5.997 1.00 0.00 H new ATOM 0 HD11 LEU A 57 -0.724 -5.690 -5.179 1.00 0.00 H new ATOM 0 HD12 LEU A 57 0.733 -6.184 -4.284 1.00 0.00 H new ATOM 0 HD13 LEU A 57 -0.421 -5.046 -3.548 1.00 0.00 H new ATOM 0 HD21 LEU A 57 -0.877 -3.416 -6.172 1.00 0.00 H new ATOM 0 HD22 LEU A 57 -0.584 -2.623 -4.607 1.00 0.00 H new ATOM 0 HD23 LEU A 57 0.469 -2.265 -5.996 1.00 0.00 H new ATOM 752 N ASN A 58 3.859 -0.870 -4.425 1.00 0.00 N ATOM 753 CA ASN A 58 4.507 0.227 -3.727 1.00 0.00 C ATOM 754 C ASN A 58 3.445 1.219 -3.247 1.00 0.00 C ATOM 755 O ASN A 58 2.291 1.148 -3.665 1.00 0.00 O ATOM 756 CB ASN A 58 5.470 0.976 -4.652 1.00 0.00 C ATOM 757 CG ASN A 58 4.845 1.196 -6.031 1.00 0.00 C ATOM 758 OD1 ASN A 58 3.735 1.683 -6.167 1.00 0.00 O ATOM 759 ND2 ASN A 58 5.619 0.813 -7.042 1.00 0.00 N ATOM 0 H ASN A 58 3.380 -0.605 -5.286 1.00 0.00 H new ATOM 0 HA ASN A 58 5.063 -0.189 -2.887 1.00 0.00 H new ATOM 0 HB2 ASN A 58 5.731 1.937 -4.210 1.00 0.00 H new ATOM 0 HB3 ASN A 58 6.396 0.410 -4.754 1.00 0.00 H new ATOM 0 HD21 ASN A 58 5.293 0.920 -8.003 1.00 0.00 H new ATOM 0 HD22 ASN A 58 6.539 0.412 -6.857 1.00 0.00 H new ATOM 765 N VAL A 59 3.875 2.121 -2.377 1.00 0.00 N ATOM 766 CA VAL A 59 2.976 3.127 -1.836 1.00 0.00 C ATOM 767 C VAL A 59 3.216 4.457 -2.552 1.00 0.00 C ATOM 768 O VAL A 59 4.359 4.876 -2.725 1.00 0.00 O ATOM 769 CB VAL A 59 3.151 3.223 -0.319 1.00 0.00 C ATOM 770 CG1 VAL A 59 2.971 1.855 0.342 1.00 0.00 C ATOM 771 CG2 VAL A 59 4.509 3.830 0.038 1.00 0.00 C ATOM 0 H VAL A 59 4.834 2.176 -2.033 1.00 0.00 H new ATOM 0 HA VAL A 59 1.938 2.847 -2.012 1.00 0.00 H new ATOM 0 HB VAL A 59 2.376 3.885 0.066 1.00 0.00 H new ATOM 0 HG11 VAL A 59 3.101 1.952 1.420 1.00 0.00 H new ATOM 0 HG12 VAL A 59 1.971 1.477 0.129 1.00 0.00 H new ATOM 0 HG13 VAL A 59 3.713 1.160 -0.052 1.00 0.00 H new ATOM 0 HG21 VAL A 59 4.608 3.887 1.122 1.00 0.00 H new ATOM 0 HG22 VAL A 59 5.305 3.205 -0.367 1.00 0.00 H new ATOM 0 HG23 VAL A 59 4.583 4.831 -0.386 1.00 0.00 H new ATOM 781 N GLN A 60 2.118 5.085 -2.949 1.00 0.00 N ATOM 782 CA GLN A 60 2.195 6.360 -3.642 1.00 0.00 C ATOM 783 C GLN A 60 2.744 7.440 -2.707 1.00 0.00 C ATOM 784 O GLN A 60 3.388 8.387 -3.157 1.00 0.00 O ATOM 785 CB GLN A 60 0.830 6.762 -4.203 1.00 0.00 C ATOM 786 CG GLN A 60 0.900 6.971 -5.718 1.00 0.00 C ATOM 787 CD GLN A 60 0.966 8.460 -6.063 1.00 0.00 C ATOM 788 OE1 GLN A 60 1.013 9.322 -5.201 1.00 0.00 O ATOM 789 NE2 GLN A 60 0.966 8.712 -7.369 1.00 0.00 N ATOM 0 H GLN A 60 1.171 4.735 -2.804 1.00 0.00 H new ATOM 0 HA GLN A 60 2.880 6.254 -4.483 1.00 0.00 H new ATOM 0 HB2 GLN A 60 0.096 5.990 -3.972 1.00 0.00 H new ATOM 0 HB3 GLN A 60 0.490 7.679 -3.721 1.00 0.00 H new ATOM 0 HG2 GLN A 60 1.776 6.462 -6.119 1.00 0.00 H new ATOM 0 HG3 GLN A 60 0.027 6.523 -6.191 1.00 0.00 H new ATOM 0 HE21 GLN A 60 0.925 7.942 -8.037 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.007 9.675 -7.703 1.00 0.00 H new ATOM 796 N GLU A 61 2.468 7.262 -1.424 1.00 0.00 N ATOM 797 CA GLU A 61 2.926 8.210 -0.422 1.00 0.00 C ATOM 798 C GLU A 61 3.210 7.490 0.899 1.00 0.00 C ATOM 799 O GLU A 61 2.388 6.707 1.371 1.00 0.00 O ATOM 800 CB GLU A 61 1.908 9.335 -0.225 1.00 0.00 C ATOM 801 CG GLU A 61 1.577 10.013 -1.557 1.00 0.00 C ATOM 802 CD GLU A 61 0.945 11.388 -1.329 1.00 0.00 C ATOM 803 OE1 GLU A 61 1.683 12.281 -0.860 1.00 0.00 O ATOM 804 OE2 GLU A 61 -0.262 11.515 -1.629 1.00 0.00 O ATOM 0 H GLU A 61 1.933 6.476 -1.055 1.00 0.00 H new ATOM 0 HA GLU A 61 3.853 8.662 -0.774 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.997 8.933 0.219 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.305 10.072 0.474 1.00 0.00 H new ATOM 0 HG2 GLU A 61 2.485 10.120 -2.151 1.00 0.00 H new ATOM 0 HG3 GLU A 61 0.894 9.385 -2.129 1.00 0.00 H new ATOM 809 N ARG A 62 4.376 7.783 1.457 1.00 0.00 N ATOM 810 CA ARG A 62 4.778 7.174 2.713 1.00 0.00 C ATOM 811 C ARG A 62 3.565 6.994 3.628 1.00 0.00 C ATOM 812 O ARG A 62 2.595 7.744 3.534 1.00 0.00 O ATOM 813 CB ARG A 62 5.825 8.030 3.428 1.00 0.00 C ATOM 814 CG ARG A 62 5.313 9.455 3.646 1.00 0.00 C ATOM 815 CD ARG A 62 6.143 10.463 2.848 1.00 0.00 C ATOM 816 NE ARG A 62 5.619 11.831 3.060 1.00 0.00 N ATOM 817 CZ ARG A 62 4.515 12.312 2.474 1.00 0.00 C ATOM 818 NH1 ARG A 62 3.810 11.539 1.636 1.00 0.00 N ATOM 819 NH2 ARG A 62 4.115 13.566 2.726 1.00 0.00 N ATOM 0 H ARG A 62 5.055 8.434 1.062 1.00 0.00 H new ATOM 0 HA ARG A 62 5.213 6.201 2.486 1.00 0.00 H new ATOM 0 HB2 ARG A 62 6.075 7.579 4.388 1.00 0.00 H new ATOM 0 HB3 ARG A 62 6.742 8.055 2.840 1.00 0.00 H new ATOM 0 HG2 ARG A 62 4.267 9.520 3.345 1.00 0.00 H new ATOM 0 HG3 ARG A 62 5.355 9.702 4.707 1.00 0.00 H new ATOM 0 HD2 ARG A 62 7.187 10.413 3.157 1.00 0.00 H new ATOM 0 HD3 ARG A 62 6.112 10.213 1.787 1.00 0.00 H new ATOM 0 HE ARG A 62 6.131 12.446 3.692 1.00 0.00 H new ATOM 0 HH11 ARG A 62 4.114 10.584 1.445 1.00 0.00 H new ATOM 0 HH12 ARG A 62 2.969 11.905 1.190 1.00 0.00 H new ATOM 0 HH21 ARG A 62 4.651 14.154 3.364 1.00 0.00 H new ATOM 0 HH22 ARG A 62 3.274 13.933 2.280 1.00 0.00 H new ATOM 830 N GLY A 63 3.659 5.993 4.491 1.00 0.00 N ATOM 831 CA GLY A 63 2.581 5.703 5.421 1.00 0.00 C ATOM 832 C GLY A 63 2.727 4.300 6.010 1.00 0.00 C ATOM 833 O GLY A 63 3.589 3.531 5.587 1.00 0.00 O ATOM 0 H GLY A 63 4.465 5.373 4.566 1.00 0.00 H new ATOM 0 HA2 GLY A 63 2.581 6.440 6.224 1.00 0.00 H new ATOM 0 HA3 GLY A 63 1.622 5.788 4.910 1.00 0.00 H new ATOM 837 N ARG A 64 1.872 4.006 6.978 1.00 0.00 N ATOM 838 CA ARG A 64 1.894 2.707 7.629 1.00 0.00 C ATOM 839 C ARG A 64 0.922 1.750 6.937 1.00 0.00 C ATOM 840 O ARG A 64 -0.278 2.012 6.880 1.00 0.00 O ATOM 841 CB ARG A 64 1.518 2.825 9.107 1.00 0.00 C ATOM 842 CG ARG A 64 2.755 3.080 9.970 1.00 0.00 C ATOM 843 CD ARG A 64 2.360 3.538 11.375 1.00 0.00 C ATOM 844 NE ARG A 64 3.570 3.716 12.208 1.00 0.00 N ATOM 845 CZ ARG A 64 3.605 4.439 13.336 1.00 0.00 C ATOM 846 NH1 ARG A 64 2.500 5.057 13.771 1.00 0.00 N ATOM 847 NH2 ARG A 64 4.749 4.545 14.028 1.00 0.00 N ATOM 0 H ARG A 64 1.159 4.646 7.328 1.00 0.00 H new ATOM 0 HA ARG A 64 2.909 2.316 7.554 1.00 0.00 H new ATOM 0 HB2 ARG A 64 0.804 3.638 9.240 1.00 0.00 H new ATOM 0 HB3 ARG A 64 1.024 1.910 9.434 1.00 0.00 H new ATOM 0 HG2 ARG A 64 3.351 2.170 10.035 1.00 0.00 H new ATOM 0 HG3 ARG A 64 3.381 3.838 9.499 1.00 0.00 H new ATOM 0 HD2 ARG A 64 1.806 4.475 11.319 1.00 0.00 H new ATOM 0 HD3 ARG A 64 1.698 2.803 11.833 1.00 0.00 H new ATOM 0 HE ARG A 64 4.431 3.260 11.905 1.00 0.00 H new ATOM 0 HH11 ARG A 64 1.630 4.978 13.244 1.00 0.00 H new ATOM 0 HH12 ARG A 64 2.528 5.607 14.630 1.00 0.00 H new ATOM 0 HH21 ARG A 64 5.591 4.076 13.696 1.00 0.00 H new ATOM 0 HH22 ARG A 64 4.777 5.095 14.887 1.00 0.00 H new ATOM 858 N VAL A 65 1.476 0.658 6.430 1.00 0.00 N ATOM 859 CA VAL A 65 0.673 -0.339 5.745 1.00 0.00 C ATOM 860 C VAL A 65 0.061 -1.291 6.775 1.00 0.00 C ATOM 861 O VAL A 65 0.719 -1.670 7.743 1.00 0.00 O ATOM 862 CB VAL A 65 1.519 -1.061 4.694 1.00 0.00 C ATOM 863 CG1 VAL A 65 0.712 -2.159 4.000 1.00 0.00 C ATOM 864 CG2 VAL A 65 2.089 -0.071 3.675 1.00 0.00 C ATOM 0 H VAL A 65 2.472 0.443 6.480 1.00 0.00 H new ATOM 0 HA VAL A 65 -0.150 0.136 5.211 1.00 0.00 H new ATOM 0 HB VAL A 65 2.357 -1.535 5.206 1.00 0.00 H new ATOM 0 HG11 VAL A 65 1.337 -2.656 3.258 1.00 0.00 H new ATOM 0 HG12 VAL A 65 0.377 -2.887 4.739 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -0.154 -1.718 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.686 -0.610 2.939 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.271 0.444 3.171 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.716 0.658 4.188 1.00 0.00 H new ATOM 874 N LYS A 66 -1.191 -1.649 6.532 1.00 0.00 N ATOM 875 CA LYS A 66 -1.898 -2.550 7.427 1.00 0.00 C ATOM 876 C LYS A 66 -2.595 -3.636 6.605 1.00 0.00 C ATOM 877 O LYS A 66 -2.786 -3.480 5.399 1.00 0.00 O ATOM 878 CB LYS A 66 -2.846 -1.765 8.336 1.00 0.00 C ATOM 879 CG LYS A 66 -3.073 -2.502 9.658 1.00 0.00 C ATOM 880 CD LYS A 66 -2.775 -1.592 10.852 1.00 0.00 C ATOM 881 CE LYS A 66 -3.751 -1.856 11.999 1.00 0.00 C ATOM 882 NZ LYS A 66 -3.027 -2.349 13.193 1.00 0.00 N ATOM 0 H LYS A 66 -1.734 -1.332 5.729 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.197 -3.054 8.093 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.431 -0.776 8.533 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.800 -1.615 7.830 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.104 -2.852 9.711 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -2.435 -3.385 9.701 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -1.753 -1.757 11.194 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -2.843 -0.549 10.545 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -4.289 -0.940 12.245 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -4.496 -2.589 11.689 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -3.705 -2.523 13.962 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -2.534 -3.234 12.959 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -2.333 -1.636 13.497 1.00 0.00 H new ATOM 892 N TYR A 67 -2.955 -4.712 7.289 1.00 0.00 N ATOM 893 CA TYR A 67 -3.626 -5.824 6.637 1.00 0.00 C ATOM 894 C TYR A 67 -5.138 -5.594 6.580 1.00 0.00 C ATOM 895 O TYR A 67 -5.783 -5.427 7.614 1.00 0.00 O ATOM 896 CB TYR A 67 -3.341 -7.053 7.501 1.00 0.00 C ATOM 897 CG TYR A 67 -4.524 -8.016 7.624 1.00 0.00 C ATOM 898 CD1 TYR A 67 -4.878 -8.813 6.553 1.00 0.00 C ATOM 899 CD2 TYR A 67 -5.237 -8.086 8.803 1.00 0.00 C ATOM 900 CE1 TYR A 67 -5.991 -9.719 6.669 1.00 0.00 C ATOM 901 CE2 TYR A 67 -6.351 -8.993 8.917 1.00 0.00 C ATOM 902 CZ TYR A 67 -6.673 -9.765 7.845 1.00 0.00 C ATOM 903 OH TYR A 67 -7.724 -10.620 7.953 1.00 0.00 O ATOM 0 H TYR A 67 -2.795 -4.838 8.288 1.00 0.00 H new ATOM 0 HA TYR A 67 -3.270 -5.941 5.614 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -2.491 -7.590 7.081 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -3.049 -6.723 8.498 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -4.321 -8.757 5.630 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -4.961 -7.462 9.640 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -6.278 -10.349 5.840 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -6.918 -9.058 9.834 1.00 0.00 H new ATOM 0 HH TYR A 67 -8.115 -10.546 8.849 1.00 0.00 H new ATOM 912 N ILE A 68 -5.658 -5.595 5.361 1.00 0.00 N ATOM 913 CA ILE A 68 -7.081 -5.390 5.156 1.00 0.00 C ATOM 914 C ILE A 68 -7.696 -6.658 4.560 1.00 0.00 C ATOM 915 O ILE A 68 -8.464 -7.352 5.224 1.00 0.00 O ATOM 916 CB ILE A 68 -7.326 -4.134 4.316 1.00 0.00 C ATOM 917 CG1 ILE A 68 -6.730 -2.898 4.990 1.00 0.00 C ATOM 918 CG2 ILE A 68 -8.816 -3.959 4.011 1.00 0.00 C ATOM 919 CD1 ILE A 68 -7.396 -2.636 6.343 1.00 0.00 C ATOM 0 H ILE A 68 -5.119 -5.734 4.506 1.00 0.00 H new ATOM 0 HA ILE A 68 -7.580 -5.212 6.108 1.00 0.00 H new ATOM 0 HB ILE A 68 -6.815 -4.258 3.361 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -5.658 -3.037 5.129 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -6.858 -2.030 4.344 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.962 -3.059 3.413 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -9.178 -4.825 3.457 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -9.370 -3.868 4.945 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -6.954 -1.751 6.801 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -8.464 -2.474 6.197 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -7.245 -3.496 6.995 1.00 0.00 H new ATOM 930 N LYS A 69 -7.333 -6.922 3.314 1.00 0.00 N ATOM 931 CA LYS A 69 -7.839 -8.096 2.619 1.00 0.00 C ATOM 932 C LYS A 69 -6.907 -9.279 2.884 1.00 0.00 C ATOM 933 O LYS A 69 -5.692 -9.109 2.975 1.00 0.00 O ATOM 934 CB LYS A 69 -8.042 -7.793 1.134 1.00 0.00 C ATOM 935 CG LYS A 69 -8.740 -6.445 0.939 1.00 0.00 C ATOM 936 CD LYS A 69 -10.247 -6.569 1.164 1.00 0.00 C ATOM 937 CE LYS A 69 -10.945 -7.110 -0.085 1.00 0.00 C ATOM 938 NZ LYS A 69 -12.281 -6.492 -0.241 1.00 0.00 N ATOM 0 H LYS A 69 -6.695 -6.344 2.767 1.00 0.00 H new ATOM 0 HA LYS A 69 -8.822 -8.372 3.001 1.00 0.00 H new ATOM 0 HB2 LYS A 69 -7.078 -7.784 0.626 1.00 0.00 H new ATOM 0 HB3 LYS A 69 -8.636 -8.584 0.676 1.00 0.00 H new ATOM 0 HG2 LYS A 69 -8.325 -5.713 1.632 1.00 0.00 H new ATOM 0 HG3 LYS A 69 -8.549 -6.075 -0.068 1.00 0.00 H new ATOM 0 HD2 LYS A 69 -10.439 -7.232 2.008 1.00 0.00 H new ATOM 0 HD3 LYS A 69 -10.661 -5.595 1.423 1.00 0.00 H new ATOM 0 HE2 LYS A 69 -10.337 -6.904 -0.966 1.00 0.00 H new ATOM 0 HE3 LYS A 69 -11.045 -8.193 -0.013 1.00 0.00 H new ATOM 0 HZ1 LYS A 69 -12.741 -6.870 -1.094 1.00 0.00 H new ATOM 0 HZ2 LYS A 69 -12.864 -6.710 0.592 1.00 0.00 H new ATOM 0 HZ3 LYS A 69 -12.178 -5.461 -0.332 1.00 0.00 H new ATOM 948 N ARG A 70 -7.511 -10.452 2.999 1.00 0.00 N ATOM 949 CA ARG A 70 -6.750 -11.665 3.251 1.00 0.00 C ATOM 950 C ARG A 70 -5.786 -11.936 2.094 1.00 0.00 C ATOM 951 O ARG A 70 -6.086 -11.619 0.945 1.00 0.00 O ATOM 952 CB ARG A 70 -7.677 -12.870 3.428 1.00 0.00 C ATOM 953 CG ARG A 70 -7.849 -13.217 4.908 1.00 0.00 C ATOM 954 CD ARG A 70 -7.462 -14.673 5.178 1.00 0.00 C ATOM 955 NE ARG A 70 -7.749 -15.019 6.588 1.00 0.00 N ATOM 956 CZ ARG A 70 -7.944 -16.268 7.030 1.00 0.00 C ATOM 957 NH1 ARG A 70 -7.883 -17.298 6.175 1.00 0.00 N ATOM 958 NH2 ARG A 70 -8.198 -16.489 8.327 1.00 0.00 N ATOM 0 H ARG A 70 -8.519 -10.589 2.922 1.00 0.00 H new ATOM 0 HA ARG A 70 -6.185 -11.518 4.172 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -8.650 -12.653 2.986 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -7.269 -13.729 2.895 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -7.232 -12.554 5.515 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -8.884 -13.051 5.206 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -8.016 -15.335 4.512 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -6.403 -14.822 4.967 1.00 0.00 H new ATOM 0 HE ARG A 70 -7.802 -14.258 7.266 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -7.688 -17.131 5.188 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -8.031 -18.249 6.511 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -8.243 -15.706 8.979 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -8.346 -17.441 8.663 1.00 0.00 H new ATOM 969 N PRO A 71 -4.618 -12.536 2.449 1.00 0.00 N ATOM 970 CA PRO A 71 -3.608 -12.854 1.455 1.00 0.00 C ATOM 971 C PRO A 71 -4.020 -14.070 0.623 1.00 0.00 C ATOM 972 O PRO A 71 -4.282 -15.140 1.171 1.00 0.00 O ATOM 973 CB PRO A 71 -2.332 -13.081 2.248 1.00 0.00 C ATOM 974 CG PRO A 71 -2.772 -13.341 3.679 1.00 0.00 C ATOM 975 CD PRO A 71 -4.229 -12.925 3.801 1.00 0.00 C ATOM 0 HA PRO A 71 -3.470 -12.056 0.726 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -1.771 -13.928 1.852 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -1.678 -12.211 2.192 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -2.654 -14.395 3.929 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -2.154 -12.776 4.377 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -4.845 -13.745 4.170 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -4.347 -12.098 4.501 1.00 0.00 H new ATOM 980 N GLY A 72 -4.065 -13.866 -0.685 1.00 0.00 N ATOM 981 CA GLY A 72 -4.442 -14.933 -1.597 1.00 0.00 C ATOM 982 C GLY A 72 -5.809 -14.660 -2.225 1.00 0.00 C ATOM 983 O GLY A 72 -6.348 -15.504 -2.940 1.00 0.00 O ATOM 0 H GLY A 72 -3.847 -12.977 -1.136 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -3.690 -15.029 -2.381 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -4.467 -15.882 -1.061 1.00 0.00 H new ATOM 987 N ALA A 73 -6.332 -13.476 -1.938 1.00 0.00 N ATOM 988 CA ALA A 73 -7.627 -13.081 -2.466 1.00 0.00 C ATOM 989 C ALA A 73 -7.497 -12.801 -3.965 1.00 0.00 C ATOM 990 O ALA A 73 -6.395 -12.821 -4.511 1.00 0.00 O ATOM 991 CB ALA A 73 -8.147 -11.870 -1.690 1.00 0.00 C ATOM 0 H ALA A 73 -5.882 -12.778 -1.346 1.00 0.00 H new ATOM 0 HA ALA A 73 -8.354 -13.884 -2.342 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -9.118 -11.574 -2.086 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -8.249 -12.129 -0.636 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -7.445 -11.043 -1.794 1.00 0.00 H new ATOM 997 N VAL A 74 -8.638 -12.547 -4.588 1.00 0.00 N ATOM 998 CA VAL A 74 -8.667 -12.263 -6.012 1.00 0.00 C ATOM 999 C VAL A 74 -8.598 -10.750 -6.228 1.00 0.00 C ATOM 1000 O VAL A 74 -9.596 -10.049 -6.062 1.00 0.00 O ATOM 1001 CB VAL A 74 -9.903 -12.902 -6.649 1.00 0.00 C ATOM 1002 CG1 VAL A 74 -11.159 -12.603 -5.828 1.00 0.00 C ATOM 1003 CG2 VAL A 74 -10.072 -12.443 -8.098 1.00 0.00 C ATOM 0 H VAL A 74 -9.550 -12.532 -4.132 1.00 0.00 H new ATOM 0 HA VAL A 74 -7.800 -12.702 -6.506 1.00 0.00 H new ATOM 0 HB VAL A 74 -9.757 -13.982 -6.655 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -12.023 -13.068 -6.302 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -11.039 -13.002 -4.821 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -11.311 -11.525 -5.775 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -10.958 -12.912 -8.527 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.186 -11.359 -8.125 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -9.193 -12.730 -8.676 1.00 0.00 H new ATOM 1013 N LEU A 75 -7.411 -10.290 -6.595 1.00 0.00 N ATOM 1014 CA LEU A 75 -7.199 -8.873 -6.835 1.00 0.00 C ATOM 1015 C LEU A 75 -8.070 -8.423 -8.010 1.00 0.00 C ATOM 1016 O LEU A 75 -8.340 -9.204 -8.922 1.00 0.00 O ATOM 1017 CB LEU A 75 -5.709 -8.577 -7.025 1.00 0.00 C ATOM 1018 CG LEU A 75 -5.084 -7.608 -6.019 1.00 0.00 C ATOM 1019 CD1 LEU A 75 -5.376 -6.157 -6.404 1.00 0.00 C ATOM 1020 CD2 LEU A 75 -5.540 -7.927 -4.594 1.00 0.00 C ATOM 0 H LEU A 75 -6.586 -10.874 -6.732 1.00 0.00 H new ATOM 0 HA LEU A 75 -7.507 -8.290 -5.967 1.00 0.00 H new ATOM 0 HB2 LEU A 75 -5.163 -9.519 -6.979 1.00 0.00 H new ATOM 0 HB3 LEU A 75 -5.564 -8.173 -8.027 1.00 0.00 H new ATOM 0 HG LEU A 75 -4.002 -7.737 -6.046 1.00 0.00 H new ATOM 0 HD11 LEU A 75 -4.921 -5.488 -5.673 1.00 0.00 H new ATOM 0 HD12 LEU A 75 -4.962 -5.952 -7.391 1.00 0.00 H new ATOM 0 HD13 LEU A 75 -6.454 -5.995 -6.422 1.00 0.00 H new ATOM 0 HD21 LEU A 75 -5.081 -7.224 -3.899 1.00 0.00 H new ATOM 0 HD22 LEU A 75 -6.625 -7.843 -4.532 1.00 0.00 H new ATOM 0 HD23 LEU A 75 -5.239 -8.942 -4.334 1.00 0.00 H new ATOM 1031 N GLU A 76 -8.485 -7.166 -7.951 1.00 0.00 N ATOM 1032 CA GLU A 76 -9.319 -6.604 -8.999 1.00 0.00 C ATOM 1033 C GLU A 76 -8.930 -5.148 -9.262 1.00 0.00 C ATOM 1034 O GLU A 76 -8.459 -4.455 -8.363 1.00 0.00 O ATOM 1035 CB GLU A 76 -10.802 -6.720 -8.641 1.00 0.00 C ATOM 1036 CG GLU A 76 -11.531 -7.647 -9.615 1.00 0.00 C ATOM 1037 CD GLU A 76 -12.938 -7.976 -9.111 1.00 0.00 C ATOM 1038 OE1 GLU A 76 -13.092 -8.062 -7.874 1.00 0.00 O ATOM 1039 OE2 GLU A 76 -13.828 -8.132 -9.975 1.00 0.00 O ATOM 0 H GLU A 76 -8.259 -6.521 -7.194 1.00 0.00 H new ATOM 0 HA GLU A 76 -9.155 -7.174 -9.913 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -10.906 -7.101 -7.625 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -11.263 -5.732 -8.660 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -11.593 -7.174 -10.595 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -10.962 -8.568 -9.741 1.00 0.00 H new ATOM 1044 N ALA A 77 -9.145 -4.725 -10.500 1.00 0.00 N ATOM 1045 CA ALA A 77 -8.823 -3.365 -10.893 1.00 0.00 C ATOM 1046 C ALA A 77 -9.730 -2.392 -10.137 1.00 0.00 C ATOM 1047 O ALA A 77 -10.947 -2.566 -10.109 1.00 0.00 O ATOM 1048 CB ALA A 77 -8.957 -3.225 -12.411 1.00 0.00 C ATOM 0 H ALA A 77 -9.539 -5.302 -11.244 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.792 -3.126 -10.633 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -8.715 -2.204 -12.705 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -8.272 -3.916 -12.902 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -9.980 -3.456 -12.709 1.00 0.00 H new ATOM 1054 N GLY A 78 -9.102 -1.389 -9.541 1.00 0.00 N ATOM 1055 CA GLY A 78 -9.837 -0.388 -8.786 1.00 0.00 C ATOM 1056 C GLY A 78 -10.540 -1.018 -7.582 1.00 0.00 C ATOM 1057 O GLY A 78 -11.759 -0.922 -7.451 1.00 0.00 O ATOM 0 H GLY A 78 -8.092 -1.248 -9.566 1.00 0.00 H new ATOM 0 HA2 GLY A 78 -9.154 0.391 -8.447 1.00 0.00 H new ATOM 0 HA3 GLY A 78 -10.573 0.092 -9.431 1.00 0.00 H new ATOM 1061 N CYS A 79 -9.740 -1.647 -6.733 1.00 0.00 N ATOM 1062 CA CYS A 79 -10.271 -2.291 -5.543 1.00 0.00 C ATOM 1063 C CYS A 79 -9.376 -1.922 -4.358 1.00 0.00 C ATOM 1064 O CYS A 79 -8.330 -1.300 -4.534 1.00 0.00 O ATOM 1065 CB CYS A 79 -10.383 -3.806 -5.723 1.00 0.00 C ATOM 1066 SG CYS A 79 -12.065 -4.245 -6.296 1.00 0.00 S ATOM 0 H CYS A 79 -8.729 -1.724 -6.845 1.00 0.00 H new ATOM 0 HA CYS A 79 -11.285 -1.937 -5.356 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -9.642 -4.151 -6.445 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -10.168 -4.309 -4.780 1.00 0.00 H new ATOM 0 HG CYS A 79 -12.149 -5.533 -6.448 1.00 0.00 H new ATOM 1071 N VAL A 80 -9.821 -2.322 -3.175 1.00 0.00 N ATOM 1072 CA VAL A 80 -9.074 -2.041 -1.961 1.00 0.00 C ATOM 1073 C VAL A 80 -8.108 -3.196 -1.684 1.00 0.00 C ATOM 1074 O VAL A 80 -8.427 -4.353 -1.948 1.00 0.00 O ATOM 1075 CB VAL A 80 -10.038 -1.776 -0.803 1.00 0.00 C ATOM 1076 CG1 VAL A 80 -10.905 -3.005 -0.519 1.00 0.00 C ATOM 1077 CG2 VAL A 80 -9.280 -1.338 0.451 1.00 0.00 C ATOM 0 H VAL A 80 -10.689 -2.838 -3.032 1.00 0.00 H new ATOM 0 HA VAL A 80 -8.476 -1.138 -2.080 1.00 0.00 H new ATOM 0 HB VAL A 80 -10.699 -0.961 -1.097 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -11.581 -2.790 0.308 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -11.486 -3.254 -1.407 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -10.266 -3.848 -0.256 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -9.988 -1.156 1.259 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -8.584 -2.123 0.748 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -8.727 -0.423 0.241 1.00 0.00 H new ATOM 1087 N VAL A 81 -6.948 -2.839 -1.153 1.00 0.00 N ATOM 1088 CA VAL A 81 -5.934 -3.830 -0.836 1.00 0.00 C ATOM 1089 C VAL A 81 -5.607 -3.760 0.657 1.00 0.00 C ATOM 1090 O VAL A 81 -5.923 -4.681 1.409 1.00 0.00 O ATOM 1091 CB VAL A 81 -4.707 -3.627 -1.727 1.00 0.00 C ATOM 1092 CG1 VAL A 81 -3.747 -4.813 -1.617 1.00 0.00 C ATOM 1093 CG2 VAL A 81 -5.119 -3.386 -3.180 1.00 0.00 C ATOM 0 H VAL A 81 -6.688 -1.877 -0.934 1.00 0.00 H new ATOM 0 HA VAL A 81 -6.305 -4.834 -1.041 1.00 0.00 H new ATOM 0 HB VAL A 81 -4.181 -2.739 -1.377 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -2.884 -4.643 -2.260 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -3.415 -4.918 -0.584 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -4.258 -5.724 -1.928 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -4.228 -3.245 -3.792 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -5.679 -4.246 -3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -5.744 -2.495 -3.238 1.00 0.00 H new ATOM 1103 N ALA A 82 -4.978 -2.658 1.041 1.00 0.00 N ATOM 1104 CA ALA A 82 -4.606 -2.456 2.431 1.00 0.00 C ATOM 1105 C ALA A 82 -4.979 -1.035 2.853 1.00 0.00 C ATOM 1106 O ALA A 82 -5.588 -0.294 2.082 1.00 0.00 O ATOM 1107 CB ALA A 82 -3.114 -2.743 2.606 1.00 0.00 C ATOM 0 H ALA A 82 -4.717 -1.897 0.414 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.149 -3.145 3.078 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -2.834 -2.592 3.649 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -2.906 -3.774 2.320 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -2.537 -2.068 1.974 1.00 0.00 H new ATOM 1113 N ARG A 83 -4.599 -0.696 4.076 1.00 0.00 N ATOM 1114 CA ARG A 83 -4.887 0.625 4.611 1.00 0.00 C ATOM 1115 C ARG A 83 -3.598 1.440 4.733 1.00 0.00 C ATOM 1116 O ARG A 83 -2.544 0.895 5.056 1.00 0.00 O ATOM 1117 CB ARG A 83 -5.556 0.531 5.983 1.00 0.00 C ATOM 1118 CG ARG A 83 -5.552 1.889 6.689 1.00 0.00 C ATOM 1119 CD ARG A 83 -6.525 2.859 6.015 1.00 0.00 C ATOM 1120 NE ARG A 83 -6.345 4.220 6.568 1.00 0.00 N ATOM 1121 CZ ARG A 83 -7.160 5.251 6.304 1.00 0.00 C ATOM 1122 NH1 ARG A 83 -8.214 5.082 5.494 1.00 0.00 N ATOM 1123 NH2 ARG A 83 -6.919 6.451 6.850 1.00 0.00 N ATOM 0 H ARG A 83 -4.094 -1.313 4.712 1.00 0.00 H new ATOM 0 HA ARG A 83 -5.570 1.120 3.921 1.00 0.00 H new ATOM 0 HB2 ARG A 83 -6.581 0.180 5.868 1.00 0.00 H new ATOM 0 HB3 ARG A 83 -5.034 -0.203 6.597 1.00 0.00 H new ATOM 0 HG2 ARG A 83 -5.828 1.760 7.736 1.00 0.00 H new ATOM 0 HG3 ARG A 83 -4.546 2.308 6.674 1.00 0.00 H new ATOM 0 HD2 ARG A 83 -6.354 2.869 4.938 1.00 0.00 H new ATOM 0 HD3 ARG A 83 -7.551 2.526 6.172 1.00 0.00 H new ATOM 0 HE ARG A 83 -5.552 4.384 7.188 1.00 0.00 H new ATOM 0 HH11 ARG A 83 -8.396 4.169 5.078 1.00 0.00 H new ATOM 0 HH12 ARG A 83 -8.834 5.867 5.293 1.00 0.00 H new ATOM 0 HH21 ARG A 83 -6.116 6.579 7.466 1.00 0.00 H new ATOM 0 HH22 ARG A 83 -7.539 7.236 6.650 1.00 0.00 H new ATOM 1134 N LEU A 84 -3.726 2.732 4.470 1.00 0.00 N ATOM 1135 CA LEU A 84 -2.583 3.628 4.547 1.00 0.00 C ATOM 1136 C LEU A 84 -2.888 4.752 5.541 1.00 0.00 C ATOM 1137 O LEU A 84 -3.742 5.599 5.282 1.00 0.00 O ATOM 1138 CB LEU A 84 -2.199 4.127 3.153 1.00 0.00 C ATOM 1139 CG LEU A 84 -0.777 3.804 2.693 1.00 0.00 C ATOM 1140 CD1 LEU A 84 -0.473 4.461 1.346 1.00 0.00 C ATOM 1141 CD2 LEU A 84 0.246 4.190 3.763 1.00 0.00 C ATOM 0 H LEU A 84 -4.603 3.180 4.204 1.00 0.00 H new ATOM 0 HA LEU A 84 -1.708 3.098 4.923 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -2.898 3.703 2.432 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -2.331 5.209 3.127 1.00 0.00 H new ATOM 0 HG LEU A 84 -0.702 2.726 2.549 1.00 0.00 H new ATOM 0 HD11 LEU A 84 0.545 4.215 1.043 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.174 4.095 0.596 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.573 5.543 1.438 1.00 0.00 H new ATOM 0 HD21 LEU A 84 1.249 3.950 3.411 1.00 0.00 H new ATOM 0 HD22 LEU A 84 0.178 5.259 3.963 1.00 0.00 H new ATOM 0 HD23 LEU A 84 0.041 3.636 4.679 1.00 0.00 H new ATOM 1152 N GLU A 85 -2.174 4.721 6.656 1.00 0.00 N ATOM 1153 CA GLU A 85 -2.356 5.726 7.690 1.00 0.00 C ATOM 1154 C GLU A 85 -1.249 6.777 7.610 1.00 0.00 C ATOM 1155 O GLU A 85 -0.130 6.540 8.063 1.00 0.00 O ATOM 1156 CB GLU A 85 -2.405 5.083 9.077 1.00 0.00 C ATOM 1157 CG GLU A 85 -3.848 4.941 9.566 1.00 0.00 C ATOM 1158 CD GLU A 85 -3.889 4.545 11.044 1.00 0.00 C ATOM 1159 OE1 GLU A 85 -3.536 5.410 11.873 1.00 0.00 O ATOM 1160 OE2 GLU A 85 -4.271 3.385 11.310 1.00 0.00 O ATOM 0 H GLU A 85 -1.468 4.016 6.867 1.00 0.00 H new ATOM 0 HA GLU A 85 -3.312 6.222 7.523 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -1.931 4.102 9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -1.836 5.689 9.783 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -4.379 5.882 9.423 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -4.366 4.190 8.970 1.00 0.00 H new