USER MOD reduce.3.24.130724 H: found=0, std=0, add=769, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 771 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 103 TYR OH : rot 54:sc= -0.274 USER MOD Set 1.2: A 107 HIS : no HD1:sc= -0.129 X(o=-0.4,f=-0.46) USER MOD Set 2.1: A 51 SER OG : rot -140:sc= 0 USER MOD Set 2.2: A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 66 HIS : no HD1:sc= -0.216 X(o=-0.44,f=-0.0042) USER MOD Set 3.2: A 67 ASN : amide:sc= -0.22 X(o=-0.44,f=-0.099) USER MOD Set 4.1: A 61 THR OG1 : rot -170:sc= -0.0227 USER MOD Set 4.2: A 74 HIS : no HE2:sc= -4.3! C(o=-4.3!,f=-5.7!) USER MOD Single : A 21 THR OG1 : rot 156:sc= 0.0428 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 CYS SG : rot 180:sc= -1.21 USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 GLN : amide:sc= -0.501 X(o=-0.5,f=-0.31) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 45 ASN :FLIP amide:sc= -0.373 F(o=-2.9!,f=-0.37) USER MOD Single : A 59 SER OG : rot -56:sc= 1.05 USER MOD Single : A 62 THR OG1 : rot 27:sc= 0.397 USER MOD Single : A 64 GLN : amide:sc=-0.00596 X(o=-0.006,f=-0.006) USER MOD Single : A 65 MET CE :methyl 179:sc= 0 (180deg=-0.00525) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 GLN : amide:sc= -0.0235 K(o=-0.023,f=-0.6) USER MOD Single : A 93 SER OG : rot 180:sc= 0.00503 USER MOD Single : A 94 CYS SG : rot 142:sc= 1.18 USER MOD Single : A 95 THR OG1 : rot -33:sc= 0.0633 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN : amide:sc= 0.545 K(o=0.54,f=0) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 107:sc= 1.1 USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 265 N GLU A 20 -2.395 -11.900 -5.178 1.00 0.00 N ATOM 266 CA GLU A 20 -3.217 -11.784 -3.980 1.00 0.00 C ATOM 267 C GLU A 20 -3.285 -10.336 -3.503 1.00 0.00 C ATOM 268 O GLU A 20 -4.311 -9.886 -2.991 1.00 0.00 O ATOM 269 CB GLU A 20 -2.661 -12.673 -2.865 1.00 0.00 C ATOM 270 CG GLU A 20 -1.144 -12.675 -2.788 1.00 0.00 C ATOM 271 CD GLU A 20 -0.616 -13.580 -1.692 1.00 0.00 C ATOM 272 OE1 GLU A 20 -1.353 -13.814 -0.710 1.00 0.00 O ATOM 273 OE2 GLU A 20 0.531 -14.055 -1.815 1.00 0.00 O ATOM 0 HA GLU A 20 -4.225 -12.114 -4.230 1.00 0.00 H new ATOM 0 HB2 GLU A 20 -3.064 -12.338 -1.909 1.00 0.00 H new ATOM 0 HB3 GLU A 20 -3.010 -13.694 -3.018 1.00 0.00 H new ATOM 0 HG2 GLU A 20 -0.736 -12.996 -3.747 1.00 0.00 H new ATOM 0 HG3 GLU A 20 -0.791 -11.658 -2.615 1.00 0.00 H new ATOM 280 N THR A 21 -2.185 -9.610 -3.676 1.00 0.00 N ATOM 281 CA THR A 21 -2.118 -8.214 -3.263 1.00 0.00 C ATOM 282 C THR A 21 -2.308 -7.280 -4.453 1.00 0.00 C ATOM 283 O THR A 21 -1.997 -7.618 -5.595 1.00 0.00 O ATOM 284 CB THR A 21 -0.772 -7.894 -2.584 1.00 0.00 C ATOM 285 OG1 THR A 21 0.194 -7.509 -3.567 1.00 0.00 O ATOM 286 CG2 THR A 21 -0.260 -9.095 -1.804 1.00 0.00 C ATOM 0 H THR A 21 -1.328 -9.966 -4.100 1.00 0.00 H new ATOM 0 HA THR A 21 -2.925 -8.056 -2.547 1.00 0.00 H new ATOM 0 HB THR A 21 -0.929 -7.070 -1.888 1.00 0.00 H new ATOM 0 HG1 THR A 21 0.887 -6.958 -3.146 1.00 0.00 H new ATOM 0 HG21 THR A 21 0.691 -8.845 -1.334 1.00 0.00 H new ATOM 0 HG22 THR A 21 -0.984 -9.366 -1.036 1.00 0.00 H new ATOM 0 HG23 THR A 21 -0.119 -9.936 -2.483 1.00 0.00 H new ATOM 294 N PRO A 22 -2.832 -6.075 -4.181 1.00 0.00 N ATOM 295 CA PRO A 22 -3.074 -5.066 -5.217 1.00 0.00 C ATOM 296 C PRO A 22 -1.780 -4.486 -5.775 1.00 0.00 C ATOM 297 O PRO A 22 -0.838 -4.213 -5.032 1.00 0.00 O ATOM 298 CB PRO A 22 -3.869 -3.985 -4.479 1.00 0.00 C ATOM 299 CG PRO A 22 -3.479 -4.137 -3.050 1.00 0.00 C ATOM 300 CD PRO A 22 -3.226 -5.605 -2.842 1.00 0.00 C ATOM 0 HA PRO A 22 -3.593 -5.484 -6.079 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.625 -2.990 -4.852 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -4.942 -4.122 -4.613 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -2.587 -3.552 -2.825 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -4.270 -3.780 -2.390 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -2.439 -5.777 -2.108 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -4.117 -6.119 -2.481 1.00 0.00 H new ATOM 308 N SER A 23 -1.740 -4.301 -7.092 1.00 0.00 N ATOM 309 CA SER A 23 -0.559 -3.756 -7.751 1.00 0.00 C ATOM 310 C SER A 23 0.047 -2.621 -6.931 1.00 0.00 C ATOM 311 O SER A 23 1.253 -2.595 -6.682 1.00 0.00 O ATOM 312 CB SER A 23 -0.917 -3.253 -9.151 1.00 0.00 C ATOM 313 OG SER A 23 -1.320 -4.323 -9.989 1.00 0.00 O ATOM 0 H SER A 23 -2.511 -4.521 -7.722 1.00 0.00 H new ATOM 0 HA SER A 23 0.179 -4.554 -7.836 1.00 0.00 H new ATOM 0 HB2 SER A 23 -1.719 -2.518 -9.083 1.00 0.00 H new ATOM 0 HB3 SER A 23 -0.057 -2.747 -9.590 1.00 0.00 H new ATOM 0 HG SER A 23 -1.545 -3.976 -10.877 1.00 0.00 H new ATOM 319 N CYS A 24 -0.799 -1.685 -6.514 1.00 0.00 N ATOM 320 CA CYS A 24 -0.348 -0.546 -5.721 1.00 0.00 C ATOM 321 C CYS A 24 0.674 -0.981 -4.676 1.00 0.00 C ATOM 322 O CYS A 24 1.675 -0.299 -4.450 1.00 0.00 O ATOM 323 CB CYS A 24 -1.537 0.129 -5.038 1.00 0.00 C ATOM 324 SG CYS A 24 -2.247 -0.827 -3.678 1.00 0.00 S ATOM 0 H CYS A 24 -1.800 -1.692 -6.711 1.00 0.00 H new ATOM 0 HA CYS A 24 0.128 0.167 -6.394 1.00 0.00 H new ATOM 0 HB2 CYS A 24 -1.221 1.101 -4.659 1.00 0.00 H new ATOM 0 HB3 CYS A 24 -2.312 0.314 -5.781 1.00 0.00 H new ATOM 0 HG CYS A 24 -3.245 -0.173 -3.162 1.00 0.00 H new ATOM 330 N PHE A 25 0.416 -2.119 -4.041 1.00 0.00 N ATOM 331 CA PHE A 25 1.313 -2.644 -3.018 1.00 0.00 C ATOM 332 C PHE A 25 2.730 -2.794 -3.562 1.00 0.00 C ATOM 333 O PHE A 25 2.932 -2.939 -4.769 1.00 0.00 O ATOM 334 CB PHE A 25 0.804 -3.994 -2.508 1.00 0.00 C ATOM 335 CG PHE A 25 1.753 -4.674 -1.564 1.00 0.00 C ATOM 336 CD1 PHE A 25 2.775 -5.477 -2.047 1.00 0.00 C ATOM 337 CD2 PHE A 25 1.626 -4.511 -0.194 1.00 0.00 C ATOM 338 CE1 PHE A 25 3.649 -6.105 -1.181 1.00 0.00 C ATOM 339 CE2 PHE A 25 2.498 -5.136 0.677 1.00 0.00 C ATOM 340 CZ PHE A 25 3.511 -5.934 0.183 1.00 0.00 C ATOM 0 H PHE A 25 -0.407 -2.696 -4.217 1.00 0.00 H new ATOM 0 HA PHE A 25 1.334 -1.935 -2.190 1.00 0.00 H new ATOM 0 HB2 PHE A 25 -0.152 -3.847 -2.006 1.00 0.00 H new ATOM 0 HB3 PHE A 25 0.619 -4.649 -3.359 1.00 0.00 H new ATOM 0 HD1 PHE A 25 2.889 -5.613 -3.112 1.00 0.00 H new ATOM 0 HD2 PHE A 25 0.836 -3.888 0.198 1.00 0.00 H new ATOM 0 HE1 PHE A 25 4.440 -6.729 -1.570 1.00 0.00 H new ATOM 0 HE2 PHE A 25 2.387 -5.001 1.743 1.00 0.00 H new ATOM 0 HZ PHE A 25 4.194 -6.423 0.862 1.00 0.00 H new ATOM 350 N LEU A 26 3.709 -2.759 -2.664 1.00 0.00 N ATOM 351 CA LEU A 26 5.109 -2.891 -3.053 1.00 0.00 C ATOM 352 C LEU A 26 5.935 -3.485 -1.917 1.00 0.00 C ATOM 353 O LEU A 26 5.610 -3.315 -0.742 1.00 0.00 O ATOM 354 CB LEU A 26 5.677 -1.529 -3.454 1.00 0.00 C ATOM 355 CG LEU A 26 4.971 -0.306 -2.867 1.00 0.00 C ATOM 356 CD1 LEU A 26 5.094 -0.295 -1.351 1.00 0.00 C ATOM 357 CD2 LEU A 26 5.540 0.974 -3.460 1.00 0.00 C ATOM 0 H LEU A 26 3.559 -2.640 -1.662 1.00 0.00 H new ATOM 0 HA LEU A 26 5.162 -3.566 -3.907 1.00 0.00 H new ATOM 0 HB2 LEU A 26 6.726 -1.494 -3.159 1.00 0.00 H new ATOM 0 HB3 LEU A 26 5.649 -1.452 -4.541 1.00 0.00 H new ATOM 0 HG LEU A 26 3.913 -0.363 -3.124 1.00 0.00 H new ATOM 0 HD11 LEU A 26 4.586 0.582 -0.951 1.00 0.00 H new ATOM 0 HD12 LEU A 26 4.638 -1.197 -0.942 1.00 0.00 H new ATOM 0 HD13 LEU A 26 6.147 -0.263 -1.072 1.00 0.00 H new ATOM 0 HD21 LEU A 26 5.026 1.834 -3.031 1.00 0.00 H new ATOM 0 HD22 LEU A 26 6.604 1.038 -3.234 1.00 0.00 H new ATOM 0 HD23 LEU A 26 5.398 0.969 -4.541 1.00 0.00 H new ATOM 369 N LYS A 27 7.008 -4.183 -2.275 1.00 0.00 N ATOM 370 CA LYS A 27 7.885 -4.801 -1.287 1.00 0.00 C ATOM 371 C LYS A 27 9.012 -3.852 -0.892 1.00 0.00 C ATOM 372 O LYS A 27 9.963 -3.652 -1.649 1.00 0.00 O ATOM 373 CB LYS A 27 8.469 -6.103 -1.837 1.00 0.00 C ATOM 374 CG LYS A 27 7.507 -7.278 -1.770 1.00 0.00 C ATOM 375 CD LYS A 27 6.649 -7.367 -3.020 1.00 0.00 C ATOM 376 CE LYS A 27 5.611 -8.474 -2.906 1.00 0.00 C ATOM 377 NZ LYS A 27 6.130 -9.774 -3.415 1.00 0.00 N ATOM 0 H LYS A 27 7.291 -4.335 -3.243 1.00 0.00 H new ATOM 0 HA LYS A 27 7.293 -5.023 -0.399 1.00 0.00 H new ATOM 0 HB2 LYS A 27 8.768 -5.948 -2.874 1.00 0.00 H new ATOM 0 HB3 LYS A 27 9.372 -6.351 -1.279 1.00 0.00 H new ATOM 0 HG2 LYS A 27 8.069 -8.204 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 27 6.866 -7.176 -0.894 1.00 0.00 H new ATOM 0 HD2 LYS A 27 6.149 -6.413 -3.188 1.00 0.00 H new ATOM 0 HD3 LYS A 27 7.284 -7.550 -3.886 1.00 0.00 H new ATOM 0 HE2 LYS A 27 5.311 -8.585 -1.864 1.00 0.00 H new ATOM 0 HE3 LYS A 27 4.719 -8.195 -3.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 5.394 -10.503 -3.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 6.392 -9.675 -4.416 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 6.967 -10.053 -2.864 1.00 0.00 H new ATOM 391 N VAL A 28 8.902 -3.271 0.298 1.00 0.00 N ATOM 392 CA VAL A 28 9.913 -2.347 0.795 1.00 0.00 C ATOM 393 C VAL A 28 9.962 -2.351 2.318 1.00 0.00 C ATOM 394 O VAL A 28 9.083 -2.908 2.976 1.00 0.00 O ATOM 395 CB VAL A 28 9.650 -0.910 0.305 1.00 0.00 C ATOM 396 CG1 VAL A 28 9.371 -0.899 -1.190 1.00 0.00 C ATOM 397 CG2 VAL A 28 8.494 -0.289 1.076 1.00 0.00 C ATOM 0 H VAL A 28 8.121 -3.424 0.936 1.00 0.00 H new ATOM 0 HA VAL A 28 10.871 -2.688 0.403 1.00 0.00 H new ATOM 0 HB VAL A 28 10.543 -0.312 0.488 1.00 0.00 H new ATOM 0 HG11 VAL A 28 9.188 0.124 -1.518 1.00 0.00 H new ATOM 0 HG12 VAL A 28 10.231 -1.303 -1.724 1.00 0.00 H new ATOM 0 HG13 VAL A 28 8.494 -1.511 -1.401 1.00 0.00 H new ATOM 0 HG21 VAL A 28 8.321 0.726 0.718 1.00 0.00 H new ATOM 0 HG22 VAL A 28 7.594 -0.885 0.925 1.00 0.00 H new ATOM 0 HG23 VAL A 28 8.738 -0.262 2.138 1.00 0.00 H new ATOM 407 N SER A 29 10.994 -1.725 2.874 1.00 0.00 N ATOM 408 CA SER A 29 11.159 -1.659 4.322 1.00 0.00 C ATOM 409 C SER A 29 10.582 -0.360 4.876 1.00 0.00 C ATOM 410 O SER A 29 10.556 0.662 4.190 1.00 0.00 O ATOM 411 CB SER A 29 12.640 -1.773 4.692 1.00 0.00 C ATOM 412 OG SER A 29 13.051 -3.128 4.741 1.00 0.00 O ATOM 0 H SER A 29 11.729 -1.256 2.344 1.00 0.00 H new ATOM 0 HA SER A 29 10.616 -2.494 4.764 1.00 0.00 H new ATOM 0 HB2 SER A 29 13.243 -1.233 3.962 1.00 0.00 H new ATOM 0 HB3 SER A 29 12.814 -1.302 5.660 1.00 0.00 H new ATOM 0 HG SER A 29 14.001 -3.173 4.978 1.00 0.00 H new ATOM 418 N ARG A 30 10.122 -0.409 6.122 1.00 0.00 N ATOM 419 CA ARG A 30 9.544 0.763 6.769 1.00 0.00 C ATOM 420 C ARG A 30 10.340 2.020 6.428 1.00 0.00 C ATOM 421 O ARG A 30 9.823 2.944 5.799 1.00 0.00 O ATOM 422 CB ARG A 30 9.505 0.567 8.286 1.00 0.00 C ATOM 423 CG ARG A 30 8.836 1.711 9.030 1.00 0.00 C ATOM 424 CD ARG A 30 9.348 1.821 10.458 1.00 0.00 C ATOM 425 NE ARG A 30 8.390 2.491 11.332 1.00 0.00 N ATOM 426 CZ ARG A 30 8.543 2.593 12.648 1.00 0.00 C ATOM 427 NH1 ARG A 30 9.611 2.072 13.238 1.00 0.00 N ATOM 428 NH2 ARG A 30 7.627 3.218 13.378 1.00 0.00 N ATOM 0 H ARG A 30 10.138 -1.247 6.703 1.00 0.00 H new ATOM 0 HA ARG A 30 8.526 0.887 6.399 1.00 0.00 H new ATOM 0 HB2 ARG A 30 8.977 -0.360 8.511 1.00 0.00 H new ATOM 0 HB3 ARG A 30 10.524 0.451 8.655 1.00 0.00 H new ATOM 0 HG2 ARG A 30 9.021 2.647 8.503 1.00 0.00 H new ATOM 0 HG3 ARG A 30 7.757 1.558 9.040 1.00 0.00 H new ATOM 0 HD2 ARG A 30 9.557 0.824 10.846 1.00 0.00 H new ATOM 0 HD3 ARG A 30 10.290 2.370 10.464 1.00 0.00 H new ATOM 0 HE ARG A 30 7.558 2.903 10.910 1.00 0.00 H new ATOM 0 HH11 ARG A 30 10.318 1.591 12.681 1.00 0.00 H new ATOM 0 HH12 ARG A 30 9.725 2.152 14.248 1.00 0.00 H new ATOM 0 HH21 ARG A 30 6.805 3.621 12.929 1.00 0.00 H new ATOM 0 HH22 ARG A 30 7.746 3.296 14.388 1.00 0.00 H new ATOM 442 N LEU A 31 11.600 2.047 6.848 1.00 0.00 N ATOM 443 CA LEU A 31 12.468 3.191 6.587 1.00 0.00 C ATOM 444 C LEU A 31 12.198 3.776 5.204 1.00 0.00 C ATOM 445 O LEU A 31 12.252 4.990 5.013 1.00 0.00 O ATOM 446 CB LEU A 31 13.937 2.778 6.701 1.00 0.00 C ATOM 447 CG LEU A 31 14.501 2.691 8.120 1.00 0.00 C ATOM 448 CD1 LEU A 31 13.979 1.451 8.827 1.00 0.00 C ATOM 449 CD2 LEU A 31 16.022 2.689 8.089 1.00 0.00 C ATOM 0 H LEU A 31 12.043 1.291 7.370 1.00 0.00 H new ATOM 0 HA LEU A 31 12.253 3.956 7.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 14.059 1.806 6.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 14.539 3.489 6.135 1.00 0.00 H new ATOM 0 HG LEU A 31 14.169 3.567 8.677 1.00 0.00 H new ATOM 0 HD11 LEU A 31 14.391 1.406 9.835 1.00 0.00 H new ATOM 0 HD12 LEU A 31 12.891 1.494 8.881 1.00 0.00 H new ATOM 0 HD13 LEU A 31 14.280 0.562 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 31 16.407 2.627 9.107 1.00 0.00 H new ATOM 0 HD22 LEU A 31 16.373 1.831 7.515 1.00 0.00 H new ATOM 0 HD23 LEU A 31 16.378 3.608 7.622 1.00 0.00 H new ATOM 461 N GLU A 32 11.907 2.903 4.245 1.00 0.00 N ATOM 462 CA GLU A 32 11.629 3.335 2.880 1.00 0.00 C ATOM 463 C GLU A 32 10.167 3.746 2.728 1.00 0.00 C ATOM 464 O GLU A 32 9.866 4.869 2.324 1.00 0.00 O ATOM 465 CB GLU A 32 11.960 2.216 1.890 1.00 0.00 C ATOM 466 CG GLU A 32 13.451 1.992 1.702 1.00 0.00 C ATOM 467 CD GLU A 32 14.047 2.894 0.639 1.00 0.00 C ATOM 468 OE1 GLU A 32 13.514 2.913 -0.491 1.00 0.00 O ATOM 469 OE2 GLU A 32 15.046 3.582 0.936 1.00 0.00 O ATOM 0 H GLU A 32 11.858 1.894 4.387 1.00 0.00 H new ATOM 0 HA GLU A 32 12.257 4.199 2.664 1.00 0.00 H new ATOM 0 HB2 GLU A 32 11.503 1.289 2.236 1.00 0.00 H new ATOM 0 HB3 GLU A 32 11.512 2.452 0.925 1.00 0.00 H new ATOM 0 HG2 GLU A 32 13.963 2.165 2.649 1.00 0.00 H new ATOM 0 HG3 GLU A 32 13.627 0.951 1.430 1.00 0.00 H new ATOM 476 N ALA A 33 9.263 2.828 3.053 1.00 0.00 N ATOM 477 CA ALA A 33 7.833 3.096 2.955 1.00 0.00 C ATOM 478 C ALA A 33 7.507 4.515 3.408 1.00 0.00 C ATOM 479 O ALA A 33 6.519 5.103 2.970 1.00 0.00 O ATOM 480 CB ALA A 33 7.049 2.083 3.778 1.00 0.00 C ATOM 0 H ALA A 33 9.495 1.892 3.386 1.00 0.00 H new ATOM 0 HA ALA A 33 7.542 3.002 1.909 1.00 0.00 H new ATOM 0 HB1 ALA A 33 5.983 2.295 3.696 1.00 0.00 H new ATOM 0 HB2 ALA A 33 7.249 1.078 3.405 1.00 0.00 H new ATOM 0 HB3 ALA A 33 7.353 2.150 4.823 1.00 0.00 H new ATOM 486 N GLN A 34 8.343 5.056 4.288 1.00 0.00 N ATOM 487 CA GLN A 34 8.142 6.407 4.800 1.00 0.00 C ATOM 488 C GLN A 34 8.640 7.447 3.804 1.00 0.00 C ATOM 489 O GLN A 34 7.855 8.215 3.247 1.00 0.00 O ATOM 490 CB GLN A 34 8.861 6.578 6.139 1.00 0.00 C ATOM 491 CG GLN A 34 8.188 7.577 7.067 1.00 0.00 C ATOM 492 CD GLN A 34 8.425 9.015 6.649 1.00 0.00 C ATOM 493 OE1 GLN A 34 9.565 9.441 6.468 1.00 0.00 O ATOM 494 NE2 GLN A 34 7.344 9.770 6.489 1.00 0.00 N ATOM 0 H GLN A 34 9.165 4.581 4.661 1.00 0.00 H new ATOM 0 HA GLN A 34 7.073 6.558 4.948 1.00 0.00 H new ATOM 0 HB2 GLN A 34 8.916 5.611 6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 34 9.886 6.900 5.953 1.00 0.00 H new ATOM 0 HG2 GLN A 34 7.116 7.381 7.089 1.00 0.00 H new ATOM 0 HG3 GLN A 34 8.559 7.432 8.081 1.00 0.00 H new ATOM 0 HE21 GLN A 34 6.418 9.375 6.650 1.00 0.00 H new ATOM 0 HE22 GLN A 34 7.440 10.745 6.205 1.00 0.00 H new ATOM 503 N LEU A 35 9.951 7.468 3.584 1.00 0.00 N ATOM 504 CA LEU A 35 10.555 8.415 2.654 1.00 0.00 C ATOM 505 C LEU A 35 9.869 8.355 1.292 1.00 0.00 C ATOM 506 O LEU A 35 9.543 9.387 0.704 1.00 0.00 O ATOM 507 CB LEU A 35 12.049 8.125 2.498 1.00 0.00 C ATOM 508 CG LEU A 35 12.409 6.883 1.682 1.00 0.00 C ATOM 509 CD1 LEU A 35 12.234 7.152 0.196 1.00 0.00 C ATOM 510 CD2 LEU A 35 13.836 6.444 1.981 1.00 0.00 C ATOM 0 H LEU A 35 10.615 6.840 4.037 1.00 0.00 H new ATOM 0 HA LEU A 35 10.426 9.418 3.061 1.00 0.00 H new ATOM 0 HB2 LEU A 35 12.520 8.991 2.032 1.00 0.00 H new ATOM 0 HB3 LEU A 35 12.484 8.021 3.492 1.00 0.00 H new ATOM 0 HG LEU A 35 11.734 6.076 1.967 1.00 0.00 H new ATOM 0 HD11 LEU A 35 12.495 6.257 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 35 11.197 7.419 -0.006 1.00 0.00 H new ATOM 0 HD13 LEU A 35 12.885 7.973 -0.104 1.00 0.00 H new ATOM 0 HD21 LEU A 35 14.075 5.559 1.392 1.00 0.00 H new ATOM 0 HD22 LEU A 35 14.525 7.248 1.724 1.00 0.00 H new ATOM 0 HD23 LEU A 35 13.930 6.210 3.041 1.00 0.00 H new ATOM 522 N LEU A 36 9.652 7.142 0.799 1.00 0.00 N ATOM 523 CA LEU A 36 9.003 6.947 -0.493 1.00 0.00 C ATOM 524 C LEU A 36 7.843 7.922 -0.673 1.00 0.00 C ATOM 525 O LEU A 36 7.486 8.278 -1.797 1.00 0.00 O ATOM 526 CB LEU A 36 8.498 5.508 -0.620 1.00 0.00 C ATOM 527 CG LEU A 36 9.537 4.466 -1.032 1.00 0.00 C ATOM 528 CD1 LEU A 36 9.047 3.064 -0.703 1.00 0.00 C ATOM 529 CD2 LEU A 36 9.854 4.587 -2.516 1.00 0.00 C ATOM 0 H LEU A 36 9.915 6.278 1.273 1.00 0.00 H new ATOM 0 HA LEU A 36 9.739 7.138 -1.274 1.00 0.00 H new ATOM 0 HB2 LEU A 36 8.072 5.208 0.337 1.00 0.00 H new ATOM 0 HB3 LEU A 36 7.688 5.492 -1.349 1.00 0.00 H new ATOM 0 HG LEU A 36 10.452 4.651 -0.469 1.00 0.00 H new ATOM 0 HD11 LEU A 36 9.800 2.336 -1.004 1.00 0.00 H new ATOM 0 HD12 LEU A 36 8.871 2.982 0.370 1.00 0.00 H new ATOM 0 HD13 LEU A 36 8.118 2.868 -1.239 1.00 0.00 H new ATOM 0 HD21 LEU A 36 10.596 3.837 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 36 8.945 4.429 -3.096 1.00 0.00 H new ATOM 0 HD23 LEU A 36 10.249 5.582 -2.724 1.00 0.00 H new ATOM 541 N LEU A 37 7.262 8.353 0.441 1.00 0.00 N ATOM 542 CA LEU A 37 6.144 9.290 0.407 1.00 0.00 C ATOM 543 C LEU A 37 6.618 10.690 0.031 1.00 0.00 C ATOM 544 O LEU A 37 6.163 11.265 -0.957 1.00 0.00 O ATOM 545 CB LEU A 37 5.441 9.324 1.766 1.00 0.00 C ATOM 546 CG LEU A 37 4.931 7.984 2.292 1.00 0.00 C ATOM 547 CD1 LEU A 37 4.584 8.087 3.769 1.00 0.00 C ATOM 548 CD2 LEU A 37 3.723 7.520 1.490 1.00 0.00 C ATOM 0 H LEU A 37 7.546 8.069 1.379 1.00 0.00 H new ATOM 0 HA LEU A 37 5.439 8.950 -0.352 1.00 0.00 H new ATOM 0 HB2 LEU A 37 6.132 9.740 2.499 1.00 0.00 H new ATOM 0 HB3 LEU A 37 4.597 10.010 1.698 1.00 0.00 H new ATOM 0 HG LEU A 37 5.724 7.245 2.177 1.00 0.00 H new ATOM 0 HD11 LEU A 37 4.222 7.123 4.126 1.00 0.00 H new ATOM 0 HD12 LEU A 37 5.472 8.373 4.332 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.808 8.840 3.909 1.00 0.00 H new ATOM 0 HD21 LEU A 37 3.373 6.564 1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 37 2.926 8.259 1.573 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.004 7.405 0.443 1.00 0.00 H new ATOM 560 N GLU A 38 7.538 11.230 0.825 1.00 0.00 N ATOM 561 CA GLU A 38 8.075 12.563 0.573 1.00 0.00 C ATOM 562 C GLU A 38 8.807 12.611 -0.766 1.00 0.00 C ATOM 563 O GLU A 38 8.851 13.650 -1.424 1.00 0.00 O ATOM 564 CB GLU A 38 9.023 12.976 1.700 1.00 0.00 C ATOM 565 CG GLU A 38 10.266 12.108 1.799 1.00 0.00 C ATOM 566 CD GLU A 38 11.464 12.863 2.342 1.00 0.00 C ATOM 567 OE1 GLU A 38 11.305 13.579 3.353 1.00 0.00 O ATOM 568 OE2 GLU A 38 12.559 12.736 1.758 1.00 0.00 O ATOM 0 H GLU A 38 7.926 10.766 1.646 1.00 0.00 H new ATOM 0 HA GLU A 38 7.240 13.262 0.536 1.00 0.00 H new ATOM 0 HB2 GLU A 38 9.325 14.012 1.548 1.00 0.00 H new ATOM 0 HB3 GLU A 38 8.486 12.936 2.648 1.00 0.00 H new ATOM 0 HG2 GLU A 38 10.057 11.254 2.443 1.00 0.00 H new ATOM 0 HG3 GLU A 38 10.508 11.712 0.813 1.00 0.00 H new ATOM 575 N ARG A 39 9.379 11.478 -1.161 1.00 0.00 N ATOM 576 CA ARG A 39 10.111 11.391 -2.418 1.00 0.00 C ATOM 577 C ARG A 39 9.162 11.509 -3.608 1.00 0.00 C ATOM 578 O ARG A 39 9.371 12.329 -4.503 1.00 0.00 O ATOM 579 CB ARG A 39 10.880 10.071 -2.495 1.00 0.00 C ATOM 580 CG ARG A 39 12.275 10.144 -1.898 1.00 0.00 C ATOM 581 CD ARG A 39 13.173 9.044 -2.444 1.00 0.00 C ATOM 582 NE ARG A 39 13.753 9.400 -3.735 1.00 0.00 N ATOM 583 CZ ARG A 39 14.646 10.370 -3.898 1.00 0.00 C ATOM 584 NH1 ARG A 39 15.060 11.075 -2.854 1.00 0.00 N ATOM 585 NH2 ARG A 39 15.127 10.636 -5.105 1.00 0.00 N ATOM 0 H ARG A 39 9.349 10.608 -0.629 1.00 0.00 H new ATOM 0 HA ARG A 39 10.819 12.219 -2.455 1.00 0.00 H new ATOM 0 HB2 ARG A 39 10.312 9.299 -1.977 1.00 0.00 H new ATOM 0 HB3 ARG A 39 10.956 9.765 -3.538 1.00 0.00 H new ATOM 0 HG2 ARG A 39 12.715 11.117 -2.117 1.00 0.00 H new ATOM 0 HG3 ARG A 39 12.213 10.059 -0.813 1.00 0.00 H new ATOM 0 HD2 ARG A 39 13.972 8.842 -1.731 1.00 0.00 H new ATOM 0 HD3 ARG A 39 12.597 8.124 -2.547 1.00 0.00 H new ATOM 0 HE ARG A 39 13.456 8.875 -4.558 1.00 0.00 H new ATOM 0 HH11 ARG A 39 14.693 10.873 -1.924 1.00 0.00 H new ATOM 0 HH12 ARG A 39 15.746 11.819 -2.981 1.00 0.00 H new ATOM 0 HH21 ARG A 39 14.811 10.095 -5.910 1.00 0.00 H new ATOM 0 HH22 ARG A 39 15.813 11.381 -5.228 1.00 0.00 H new ATOM 599 N TYR A 40 8.120 10.686 -3.612 1.00 0.00 N ATOM 600 CA TYR A 40 7.142 10.695 -4.692 1.00 0.00 C ATOM 601 C TYR A 40 5.745 10.998 -4.159 1.00 0.00 C ATOM 602 O TYR A 40 4.910 10.108 -3.991 1.00 0.00 O ATOM 603 CB TYR A 40 7.141 9.350 -5.422 1.00 0.00 C ATOM 604 CG TYR A 40 8.519 8.889 -5.841 1.00 0.00 C ATOM 605 CD1 TYR A 40 9.374 8.274 -4.934 1.00 0.00 C ATOM 606 CD2 TYR A 40 8.966 9.069 -7.144 1.00 0.00 C ATOM 607 CE1 TYR A 40 10.633 7.851 -5.313 1.00 0.00 C ATOM 608 CE2 TYR A 40 10.223 8.648 -7.533 1.00 0.00 C ATOM 609 CZ TYR A 40 11.053 8.041 -6.614 1.00 0.00 C ATOM 610 OH TYR A 40 12.306 7.621 -6.996 1.00 0.00 O ATOM 0 H TYR A 40 7.931 10.003 -2.878 1.00 0.00 H new ATOM 0 HA TYR A 40 7.422 11.480 -5.394 1.00 0.00 H new ATOM 0 HB2 TYR A 40 6.695 8.595 -4.775 1.00 0.00 H new ATOM 0 HB3 TYR A 40 6.508 9.426 -6.306 1.00 0.00 H new ATOM 0 HD1 TYR A 40 9.048 8.124 -3.915 1.00 0.00 H new ATOM 0 HD2 TYR A 40 8.320 9.546 -7.865 1.00 0.00 H new ATOM 0 HE1 TYR A 40 11.285 7.374 -4.596 1.00 0.00 H new ATOM 0 HE2 TYR A 40 10.554 8.793 -8.551 1.00 0.00 H new ATOM 0 HH TYR A 40 12.446 7.828 -7.944 1.00 0.00 H new ATOM 620 N PRO A 41 5.483 12.284 -3.887 1.00 0.00 N ATOM 621 CA PRO A 41 4.187 12.736 -3.369 1.00 0.00 C ATOM 622 C PRO A 41 3.079 12.628 -4.411 1.00 0.00 C ATOM 623 O PRO A 41 1.976 12.171 -4.111 1.00 0.00 O ATOM 624 CB PRO A 41 4.441 14.201 -3.008 1.00 0.00 C ATOM 625 CG PRO A 41 5.570 14.618 -3.886 1.00 0.00 C ATOM 626 CD PRO A 41 6.430 13.398 -4.063 1.00 0.00 C ATOM 0 HA PRO A 41 3.848 12.129 -2.529 1.00 0.00 H new ATOM 0 HB2 PRO A 41 3.556 14.811 -3.185 1.00 0.00 H new ATOM 0 HB3 PRO A 41 4.698 14.310 -1.954 1.00 0.00 H new ATOM 0 HG2 PRO A 41 5.204 14.980 -4.847 1.00 0.00 H new ATOM 0 HG3 PRO A 41 6.136 15.432 -3.433 1.00 0.00 H new ATOM 0 HD2 PRO A 41 6.898 13.376 -5.047 1.00 0.00 H new ATOM 0 HD3 PRO A 41 7.233 13.363 -3.327 1.00 0.00 H new ATOM 634 N GLU A 42 3.378 13.052 -5.635 1.00 0.00 N ATOM 635 CA GLU A 42 2.404 13.004 -6.719 1.00 0.00 C ATOM 636 C GLU A 42 1.777 11.616 -6.825 1.00 0.00 C ATOM 637 O GLU A 42 0.620 11.476 -7.220 1.00 0.00 O ATOM 638 CB GLU A 42 3.068 13.378 -8.046 1.00 0.00 C ATOM 639 CG GLU A 42 3.479 14.838 -8.130 1.00 0.00 C ATOM 640 CD GLU A 42 3.796 15.274 -9.548 1.00 0.00 C ATOM 641 OE1 GLU A 42 4.763 14.741 -10.130 1.00 0.00 O ATOM 642 OE2 GLU A 42 3.078 16.150 -10.074 1.00 0.00 O ATOM 0 H GLU A 42 4.286 13.432 -5.900 1.00 0.00 H new ATOM 0 HA GLU A 42 1.616 13.724 -6.499 1.00 0.00 H new ATOM 0 HB2 GLU A 42 3.949 12.752 -8.191 1.00 0.00 H new ATOM 0 HB3 GLU A 42 2.381 13.155 -8.862 1.00 0.00 H new ATOM 0 HG2 GLU A 42 2.677 15.461 -7.733 1.00 0.00 H new ATOM 0 HG3 GLU A 42 4.353 15.003 -7.499 1.00 0.00 H new ATOM 649 N CYS A 43 2.550 10.595 -6.470 1.00 0.00 N ATOM 650 CA CYS A 43 2.071 9.219 -6.526 1.00 0.00 C ATOM 651 C CYS A 43 1.337 8.846 -5.243 1.00 0.00 C ATOM 652 O CYS A 43 1.458 7.725 -4.750 1.00 0.00 O ATOM 653 CB CYS A 43 3.240 8.261 -6.757 1.00 0.00 C ATOM 654 SG CYS A 43 3.892 8.283 -8.443 1.00 0.00 S ATOM 0 H CYS A 43 3.510 10.694 -6.141 1.00 0.00 H new ATOM 0 HA CYS A 43 1.372 9.136 -7.359 1.00 0.00 H new ATOM 0 HB2 CYS A 43 4.044 8.512 -6.065 1.00 0.00 H new ATOM 0 HB3 CYS A 43 2.918 7.248 -6.517 1.00 0.00 H new ATOM 0 HG CYS A 43 4.879 7.442 -8.538 1.00 0.00 H new ATOM 660 N GLY A 44 0.576 9.795 -4.705 1.00 0.00 N ATOM 661 CA GLY A 44 -0.165 9.547 -3.482 1.00 0.00 C ATOM 662 C GLY A 44 0.741 9.232 -2.309 1.00 0.00 C ATOM 663 O GLY A 44 1.960 9.158 -2.459 1.00 0.00 O ATOM 0 H GLY A 44 0.460 10.731 -5.094 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -0.771 10.421 -3.244 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -0.852 8.716 -3.640 1.00 0.00 H new ATOM 667 N ASN A 45 0.145 9.048 -1.135 1.00 0.00 N ATOM 668 CA ASN A 45 0.908 8.742 0.070 1.00 0.00 C ATOM 669 C ASN A 45 0.438 7.431 0.693 1.00 0.00 C ATOM 670 O ASN A 45 1.108 6.865 1.557 1.00 0.00 O ATOM 671 CB ASN A 45 0.775 9.878 1.086 1.00 0.00 C ATOM 672 CG ASN A 45 -0.673 10.226 1.378 1.00 0.00 C ATOM 673 OD1 ASN A 45 -1.406 9.275 1.945 1.00 0.00 O flip ATOM 674 ND2 ASN A 45 -1.125 11.336 1.099 1.00 0.00 N flip ATOM 0 H ASN A 45 -0.863 9.105 -0.993 1.00 0.00 H new ATOM 0 HA ASN A 45 1.956 8.636 -0.211 1.00 0.00 H new ATOM 0 HB2 ASN A 45 1.271 9.592 2.013 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.289 10.762 0.708 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -0.525 12.036 0.664 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -2.100 11.556 1.303 1.00 0.00 H new ATOM 681 N LEU A 46 -0.720 6.953 0.248 1.00 0.00 N ATOM 682 CA LEU A 46 -1.280 5.707 0.761 1.00 0.00 C ATOM 683 C LEU A 46 -0.602 4.500 0.121 1.00 0.00 C ATOM 684 O LEU A 46 -0.875 4.159 -1.032 1.00 0.00 O ATOM 685 CB LEU A 46 -2.787 5.658 0.499 1.00 0.00 C ATOM 686 CG LEU A 46 -3.432 4.273 0.550 1.00 0.00 C ATOM 687 CD1 LEU A 46 -3.664 3.843 1.990 1.00 0.00 C ATOM 688 CD2 LEU A 46 -4.739 4.265 -0.229 1.00 0.00 C ATOM 0 H LEU A 46 -1.288 7.409 -0.466 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.102 5.672 1.836 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -3.284 6.295 1.231 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -2.979 6.090 -0.483 1.00 0.00 H new ATOM 0 HG LEU A 46 -2.751 3.559 0.086 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -4.124 2.855 2.005 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -2.711 3.808 2.517 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -4.324 4.558 2.481 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -5.184 3.271 -0.182 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -5.426 4.991 0.205 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -4.544 4.527 -1.269 1.00 0.00 H new ATOM 700 N LEU A 47 0.281 3.856 0.875 1.00 0.00 N ATOM 701 CA LEU A 47 0.998 2.684 0.382 1.00 0.00 C ATOM 702 C LEU A 47 0.931 1.542 1.390 1.00 0.00 C ATOM 703 O LEU A 47 0.676 1.759 2.576 1.00 0.00 O ATOM 704 CB LEU A 47 2.456 3.039 0.092 1.00 0.00 C ATOM 705 CG LEU A 47 3.436 2.857 1.253 1.00 0.00 C ATOM 706 CD1 LEU A 47 4.012 1.450 1.250 1.00 0.00 C ATOM 707 CD2 LEU A 47 4.549 3.892 1.178 1.00 0.00 C ATOM 0 H LEU A 47 0.518 4.125 1.830 1.00 0.00 H new ATOM 0 HA LEU A 47 0.520 2.357 -0.542 1.00 0.00 H new ATOM 0 HB2 LEU A 47 2.798 2.429 -0.744 1.00 0.00 H new ATOM 0 HB3 LEU A 47 2.498 4.079 -0.233 1.00 0.00 H new ATOM 0 HG LEU A 47 2.894 3.003 2.187 1.00 0.00 H new ATOM 0 HD11 LEU A 47 4.707 1.339 2.083 1.00 0.00 H new ATOM 0 HD12 LEU A 47 3.204 0.726 1.353 1.00 0.00 H new ATOM 0 HD13 LEU A 47 4.539 1.275 0.312 1.00 0.00 H new ATOM 0 HD21 LEU A 47 5.237 3.748 2.011 1.00 0.00 H new ATOM 0 HD22 LEU A 47 5.089 3.778 0.238 1.00 0.00 H new ATOM 0 HD23 LEU A 47 4.120 4.892 1.231 1.00 0.00 H new ATOM 719 N LEU A 48 1.164 0.324 0.913 1.00 0.00 N ATOM 720 CA LEU A 48 1.133 -0.854 1.774 1.00 0.00 C ATOM 721 C LEU A 48 2.490 -1.549 1.793 1.00 0.00 C ATOM 722 O LEU A 48 3.090 -1.793 0.746 1.00 0.00 O ATOM 723 CB LEU A 48 0.055 -1.829 1.297 1.00 0.00 C ATOM 724 CG LEU A 48 -1.389 -1.440 1.613 1.00 0.00 C ATOM 725 CD1 LEU A 48 -1.913 -0.451 0.584 1.00 0.00 C ATOM 726 CD2 LEU A 48 -2.276 -2.676 1.666 1.00 0.00 C ATOM 0 H LEU A 48 1.376 0.126 -0.065 1.00 0.00 H new ATOM 0 HA LEU A 48 0.898 -0.528 2.787 1.00 0.00 H new ATOM 0 HB2 LEU A 48 0.151 -1.946 0.217 1.00 0.00 H new ATOM 0 HB3 LEU A 48 0.253 -2.804 1.742 1.00 0.00 H new ATOM 0 HG LEU A 48 -1.409 -0.960 2.592 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -2.942 -0.186 0.825 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -1.295 0.447 0.595 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -1.878 -0.904 -0.407 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.300 -2.379 1.892 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -2.250 -3.184 0.702 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -1.914 -3.351 2.442 1.00 0.00 H new ATOM 738 N ARG A 49 2.969 -1.866 2.992 1.00 0.00 N ATOM 739 CA ARG A 49 4.255 -2.534 3.150 1.00 0.00 C ATOM 740 C ARG A 49 4.125 -3.762 4.047 1.00 0.00 C ATOM 741 O ARG A 49 3.364 -3.775 5.014 1.00 0.00 O ATOM 742 CB ARG A 49 5.288 -1.569 3.734 1.00 0.00 C ATOM 743 CG ARG A 49 5.034 -1.214 5.190 1.00 0.00 C ATOM 744 CD ARG A 49 5.755 -2.169 6.129 1.00 0.00 C ATOM 745 NE ARG A 49 5.325 -2.002 7.515 1.00 0.00 N ATOM 746 CZ ARG A 49 5.956 -2.543 8.551 1.00 0.00 C ATOM 747 NH1 ARG A 49 7.040 -3.282 8.359 1.00 0.00 N ATOM 748 NH2 ARG A 49 5.504 -2.345 9.782 1.00 0.00 N ATOM 0 H ARG A 49 2.485 -1.671 3.868 1.00 0.00 H new ATOM 0 HA ARG A 49 4.589 -2.860 2.165 1.00 0.00 H new ATOM 0 HB2 ARG A 49 6.279 -2.013 3.645 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.294 -0.654 3.141 1.00 0.00 H new ATOM 0 HG2 ARG A 49 5.367 -0.194 5.381 1.00 0.00 H new ATOM 0 HG3 ARG A 49 3.963 -1.243 5.391 1.00 0.00 H new ATOM 0 HD2 ARG A 49 5.571 -3.196 5.813 1.00 0.00 H new ATOM 0 HD3 ARG A 49 6.830 -2.002 6.060 1.00 0.00 H new ATOM 0 HE ARG A 49 4.494 -1.439 7.697 1.00 0.00 H new ATOM 0 HH11 ARG A 49 7.391 -3.436 7.414 1.00 0.00 H new ATOM 0 HH12 ARG A 49 7.523 -3.696 9.156 1.00 0.00 H new ATOM 0 HH21 ARG A 49 4.671 -1.777 9.934 1.00 0.00 H new ATOM 0 HH22 ARG A 49 5.990 -2.761 10.577 1.00 0.00 H new ATOM 762 N PRO A 50 4.885 -4.817 3.720 1.00 0.00 N ATOM 763 CA PRO A 50 4.872 -6.068 4.484 1.00 0.00 C ATOM 764 C PRO A 50 5.508 -5.913 5.861 1.00 0.00 C ATOM 765 O PRO A 50 6.661 -5.502 5.981 1.00 0.00 O ATOM 766 CB PRO A 50 5.699 -7.022 3.618 1.00 0.00 C ATOM 767 CG PRO A 50 6.595 -6.132 2.827 1.00 0.00 C ATOM 768 CD PRO A 50 5.815 -4.871 2.581 1.00 0.00 C ATOM 0 HA PRO A 50 3.857 -6.417 4.677 1.00 0.00 H new ATOM 0 HB2 PRO A 50 6.272 -7.718 4.231 1.00 0.00 H new ATOM 0 HB3 PRO A 50 5.061 -7.621 2.968 1.00 0.00 H new ATOM 0 HG2 PRO A 50 7.515 -5.921 3.372 1.00 0.00 H new ATOM 0 HG3 PRO A 50 6.882 -6.603 1.887 1.00 0.00 H new ATOM 0 HD2 PRO A 50 6.465 -3.996 2.551 1.00 0.00 H new ATOM 0 HD3 PRO A 50 5.284 -4.906 1.630 1.00 0.00 H new ATOM 776 N SER A 51 4.747 -6.245 6.900 1.00 0.00 N ATOM 777 CA SER A 51 5.236 -6.139 8.270 1.00 0.00 C ATOM 778 C SER A 51 6.407 -7.088 8.505 1.00 0.00 C ATOM 779 O SER A 51 6.827 -7.809 7.600 1.00 0.00 O ATOM 780 CB SER A 51 4.110 -6.445 9.261 1.00 0.00 C ATOM 781 OG SER A 51 3.241 -5.335 9.404 1.00 0.00 O ATOM 0 H SER A 51 3.790 -6.589 6.819 1.00 0.00 H new ATOM 0 HA SER A 51 5.582 -5.117 8.427 1.00 0.00 H new ATOM 0 HB2 SER A 51 3.545 -7.312 8.918 1.00 0.00 H new ATOM 0 HB3 SER A 51 4.535 -6.705 10.230 1.00 0.00 H new ATOM 0 HG SER A 51 2.984 -5.240 10.345 1.00 0.00 H new ATOM 835 N GLY A 57 -0.729 -10.203 8.724 1.00 0.00 N ATOM 836 CA GLY A 57 -1.393 -9.222 7.885 1.00 0.00 C ATOM 837 C GLY A 57 -0.446 -8.146 7.395 1.00 0.00 C ATOM 838 O GLY A 57 0.747 -8.172 7.695 1.00 0.00 O ATOM 0 HA2 GLY A 57 -1.842 -9.725 7.028 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -2.206 -8.759 8.445 1.00 0.00 H new ATOM 842 N VAL A 58 -0.979 -7.194 6.633 1.00 0.00 N ATOM 843 CA VAL A 58 -0.173 -6.103 6.098 1.00 0.00 C ATOM 844 C VAL A 58 -0.568 -4.770 6.723 1.00 0.00 C ATOM 845 O VAL A 58 -1.688 -4.609 7.210 1.00 0.00 O ATOM 846 CB VAL A 58 -0.311 -6.002 4.568 1.00 0.00 C ATOM 847 CG1 VAL A 58 -1.610 -5.303 4.194 1.00 0.00 C ATOM 848 CG2 VAL A 58 0.885 -5.276 3.972 1.00 0.00 C ATOM 0 H VAL A 58 -1.965 -7.157 6.373 1.00 0.00 H new ATOM 0 HA VAL A 58 0.865 -6.324 6.348 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.337 -7.011 4.156 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -1.690 -5.241 3.109 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.454 -5.869 4.588 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -1.617 -4.298 4.617 1.00 0.00 H new ATOM 0 HG21 VAL A 58 0.771 -5.214 2.890 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.945 -4.271 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.798 -5.822 4.210 1.00 0.00 H new ATOM 858 N SER A 59 0.356 -3.816 6.704 1.00 0.00 N ATOM 859 CA SER A 59 0.105 -2.497 7.272 1.00 0.00 C ATOM 860 C SER A 59 -0.118 -1.464 6.171 1.00 0.00 C ATOM 861 O SER A 59 0.252 -1.681 5.016 1.00 0.00 O ATOM 862 CB SER A 59 1.277 -2.068 8.158 1.00 0.00 C ATOM 863 OG SER A 59 1.083 -2.486 9.498 1.00 0.00 O ATOM 0 H SER A 59 1.286 -3.932 6.301 1.00 0.00 H new ATOM 0 HA SER A 59 -0.798 -2.557 7.879 1.00 0.00 H new ATOM 0 HB2 SER A 59 2.203 -2.493 7.772 1.00 0.00 H new ATOM 0 HB3 SER A 59 1.385 -0.984 8.124 1.00 0.00 H new ATOM 0 HG SER A 59 0.230 -2.135 9.830 1.00 0.00 H new ATOM 869 N VAL A 60 -0.727 -0.341 6.535 1.00 0.00 N ATOM 870 CA VAL A 60 -1.000 0.726 5.580 1.00 0.00 C ATOM 871 C VAL A 60 -0.341 2.031 6.012 1.00 0.00 C ATOM 872 O VAL A 60 -0.765 2.664 6.980 1.00 0.00 O ATOM 873 CB VAL A 60 -2.513 0.958 5.415 1.00 0.00 C ATOM 874 CG1 VAL A 60 -2.776 2.084 4.427 1.00 0.00 C ATOM 875 CG2 VAL A 60 -3.202 -0.324 4.971 1.00 0.00 C ATOM 0 H VAL A 60 -1.041 -0.146 7.486 1.00 0.00 H new ATOM 0 HA VAL A 60 -0.582 0.410 4.624 1.00 0.00 H new ATOM 0 HB VAL A 60 -2.926 1.251 6.380 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.851 2.233 4.323 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.315 3.002 4.791 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -2.351 1.824 3.458 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -4.271 -0.143 4.859 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -2.787 -0.648 4.017 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -3.042 -1.101 5.719 1.00 0.00 H new ATOM 885 N THR A 61 0.699 2.431 5.287 1.00 0.00 N ATOM 886 CA THR A 61 1.417 3.661 5.593 1.00 0.00 C ATOM 887 C THR A 61 0.744 4.867 4.949 1.00 0.00 C ATOM 888 O THR A 61 0.620 4.944 3.726 1.00 0.00 O ATOM 889 CB THR A 61 2.881 3.591 5.118 1.00 0.00 C ATOM 890 OG1 THR A 61 3.437 2.310 5.433 1.00 0.00 O ATOM 891 CG2 THR A 61 3.715 4.686 5.769 1.00 0.00 C ATOM 0 H THR A 61 1.063 1.920 4.483 1.00 0.00 H new ATOM 0 HA THR A 61 1.399 3.774 6.677 1.00 0.00 H new ATOM 0 HB THR A 61 2.897 3.738 4.038 1.00 0.00 H new ATOM 0 HG1 THR A 61 4.404 2.325 5.274 1.00 0.00 H new ATOM 0 HG21 THR A 61 4.745 4.616 5.418 1.00 0.00 H new ATOM 0 HG22 THR A 61 3.306 5.661 5.503 1.00 0.00 H new ATOM 0 HG23 THR A 61 3.692 4.566 6.852 1.00 0.00 H new ATOM 899 N THR A 62 0.308 5.810 5.780 1.00 0.00 N ATOM 900 CA THR A 62 -0.355 7.013 5.291 1.00 0.00 C ATOM 901 C THR A 62 0.179 8.258 5.991 1.00 0.00 C ATOM 902 O THR A 62 0.140 8.356 7.218 1.00 0.00 O ATOM 903 CB THR A 62 -1.880 6.937 5.495 1.00 0.00 C ATOM 904 OG1 THR A 62 -2.180 6.783 6.887 1.00 0.00 O ATOM 905 CG2 THR A 62 -2.473 5.776 4.712 1.00 0.00 C ATOM 0 H THR A 62 0.402 5.763 6.795 1.00 0.00 H new ATOM 0 HA THR A 62 -0.142 7.080 4.224 1.00 0.00 H new ATOM 0 HB THR A 62 -2.321 7.864 5.129 1.00 0.00 H new ATOM 0 HG1 THR A 62 -1.456 7.170 7.422 1.00 0.00 H new ATOM 0 HG21 THR A 62 -3.551 5.742 4.871 1.00 0.00 H new ATOM 0 HG22 THR A 62 -2.267 5.911 3.650 1.00 0.00 H new ATOM 0 HG23 THR A 62 -2.027 4.842 5.052 1.00 0.00 H new ATOM 913 N ARG A 63 0.677 9.206 5.204 1.00 0.00 N ATOM 914 CA ARG A 63 1.219 10.444 5.750 1.00 0.00 C ATOM 915 C ARG A 63 0.288 11.619 5.461 1.00 0.00 C ATOM 916 O ARG A 63 0.372 12.243 4.404 1.00 0.00 O ATOM 917 CB ARG A 63 2.605 10.722 5.163 1.00 0.00 C ATOM 918 CG ARG A 63 3.374 11.804 5.903 1.00 0.00 C ATOM 919 CD ARG A 63 4.674 12.148 5.192 1.00 0.00 C ATOM 920 NE ARG A 63 4.456 13.031 4.050 1.00 0.00 N ATOM 921 CZ ARG A 63 5.420 13.741 3.476 1.00 0.00 C ATOM 922 NH1 ARG A 63 6.663 13.671 3.935 1.00 0.00 N ATOM 923 NH2 ARG A 63 5.144 14.524 2.441 1.00 0.00 N ATOM 0 H ARG A 63 0.716 9.140 4.187 1.00 0.00 H new ATOM 0 HA ARG A 63 1.306 10.328 6.830 1.00 0.00 H new ATOM 0 HB2 ARG A 63 3.187 9.801 5.176 1.00 0.00 H new ATOM 0 HB3 ARG A 63 2.496 11.015 4.119 1.00 0.00 H new ATOM 0 HG2 ARG A 63 2.756 12.698 5.987 1.00 0.00 H new ATOM 0 HG3 ARG A 63 3.590 11.469 6.918 1.00 0.00 H new ATOM 0 HD2 ARG A 63 5.356 12.626 5.895 1.00 0.00 H new ATOM 0 HD3 ARG A 63 5.156 11.231 4.854 1.00 0.00 H new ATOM 0 HE ARG A 63 3.511 13.107 3.672 1.00 0.00 H new ATOM 0 HH11 ARG A 63 6.880 13.071 4.731 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.402 14.217 3.492 1.00 0.00 H new ATOM 0 HH21 ARG A 63 4.190 14.581 2.085 1.00 0.00 H new ATOM 0 HH22 ARG A 63 5.886 15.069 2.001 1.00 0.00 H new ATOM 937 N GLN A 64 -0.597 11.912 6.407 1.00 0.00 N ATOM 938 CA GLN A 64 -1.544 13.011 6.253 1.00 0.00 C ATOM 939 C GLN A 64 -1.127 14.210 7.096 1.00 0.00 C ATOM 940 O GLN A 64 -0.398 14.069 8.077 1.00 0.00 O ATOM 941 CB GLN A 64 -2.950 12.559 6.650 1.00 0.00 C ATOM 942 CG GLN A 64 -3.653 11.746 5.573 1.00 0.00 C ATOM 943 CD GLN A 64 -4.941 11.117 6.066 1.00 0.00 C ATOM 944 OE1 GLN A 64 -4.931 10.039 6.662 1.00 0.00 O ATOM 945 NE2 GLN A 64 -6.061 11.787 5.821 1.00 0.00 N ATOM 0 H GLN A 64 -0.679 11.405 7.288 1.00 0.00 H new ATOM 0 HA GLN A 64 -1.548 13.310 5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 64 -2.888 11.964 7.561 1.00 0.00 H new ATOM 0 HB3 GLN A 64 -3.553 13.437 6.883 1.00 0.00 H new ATOM 0 HG2 GLN A 64 -3.870 12.390 4.721 1.00 0.00 H new ATOM 0 HG3 GLN A 64 -2.983 10.963 5.218 1.00 0.00 H new ATOM 0 HE21 GLN A 64 -6.025 12.677 5.324 1.00 0.00 H new ATOM 0 HE22 GLN A 64 -6.958 11.412 6.130 1.00 0.00 H new ATOM 954 N MET A 65 -1.594 15.393 6.707 1.00 0.00 N ATOM 955 CA MET A 65 -1.270 16.618 7.427 1.00 0.00 C ATOM 956 C MET A 65 -1.909 16.619 8.812 1.00 0.00 C ATOM 957 O MET A 65 -3.114 16.411 8.951 1.00 0.00 O ATOM 958 CB MET A 65 -1.738 17.840 6.636 1.00 0.00 C ATOM 959 CG MET A 65 -0.894 19.081 6.877 1.00 0.00 C ATOM 960 SD MET A 65 0.627 19.085 5.908 1.00 0.00 S ATOM 961 CE MET A 65 1.741 19.930 7.028 1.00 0.00 C ATOM 0 H MET A 65 -2.198 15.528 5.896 1.00 0.00 H new ATOM 0 HA MET A 65 -0.187 16.665 7.545 1.00 0.00 H new ATOM 0 HB2 MET A 65 -1.723 17.602 5.573 1.00 0.00 H new ATOM 0 HB3 MET A 65 -2.773 18.058 6.899 1.00 0.00 H new ATOM 0 HG2 MET A 65 -1.479 19.967 6.631 1.00 0.00 H new ATOM 0 HG3 MET A 65 -0.646 19.147 7.936 1.00 0.00 H new ATOM 0 HE1 MET A 65 2.731 19.995 6.577 1.00 0.00 H new ATOM 0 HE2 MET A 65 1.366 20.934 7.225 1.00 0.00 H new ATOM 0 HE3 MET A 65 1.805 19.376 7.965 1.00 0.00 H new ATOM 971 N HIS A 66 -1.093 16.854 9.835 1.00 0.00 N ATOM 972 CA HIS A 66 -1.579 16.883 11.210 1.00 0.00 C ATOM 973 C HIS A 66 -0.970 18.052 11.978 1.00 0.00 C ATOM 974 O HIS A 66 0.250 18.185 12.060 1.00 0.00 O ATOM 975 CB HIS A 66 -1.252 15.567 11.917 1.00 0.00 C ATOM 976 CG HIS A 66 -2.210 15.221 13.015 1.00 0.00 C ATOM 977 ND1 HIS A 66 -2.923 14.041 13.047 1.00 0.00 N ATOM 978 CD2 HIS A 66 -2.573 15.908 14.122 1.00 0.00 C ATOM 979 CE1 HIS A 66 -3.681 14.017 14.127 1.00 0.00 C ATOM 980 NE2 HIS A 66 -3.488 15.138 14.798 1.00 0.00 N ATOM 0 H HIS A 66 -0.093 17.027 9.738 1.00 0.00 H new ATOM 0 HA HIS A 66 -2.661 17.014 11.184 1.00 0.00 H new ATOM 0 HB2 HIS A 66 -1.248 14.761 11.183 1.00 0.00 H new ATOM 0 HB3 HIS A 66 -0.245 15.627 12.330 1.00 0.00 H new ATOM 0 HD2 HIS A 66 -2.211 16.881 14.419 1.00 0.00 H new ATOM 0 HE1 HIS A 66 -4.347 13.216 14.414 1.00 0.00 H new ATOM 0 HE2 HIS A 66 -3.944 15.391 15.675 1.00 0.00 H new ATOM 989 N ASN A 67 -1.829 18.898 12.538 1.00 0.00 N ATOM 990 CA ASN A 67 -1.375 20.056 13.298 1.00 0.00 C ATOM 991 C ASN A 67 -0.220 20.754 12.588 1.00 0.00 C ATOM 992 O ASN A 67 0.605 21.412 13.220 1.00 0.00 O ATOM 993 CB ASN A 67 -0.944 19.633 14.704 1.00 0.00 C ATOM 994 CG ASN A 67 -2.120 19.493 15.652 1.00 0.00 C ATOM 995 OD1 ASN A 67 -2.934 20.406 15.788 1.00 0.00 O ATOM 996 ND2 ASN A 67 -2.213 18.344 16.312 1.00 0.00 N ATOM 0 H ASN A 67 -2.843 18.803 12.479 1.00 0.00 H new ATOM 0 HA ASN A 67 -2.206 20.757 13.376 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -0.411 18.684 14.648 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -0.245 20.368 15.103 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -2.983 18.191 16.963 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -1.515 17.615 16.167 1.00 0.00 H new ATOM 1003 N GLY A 68 -0.167 20.606 11.267 1.00 0.00 N ATOM 1004 CA GLY A 68 0.891 21.228 10.493 1.00 0.00 C ATOM 1005 C GLY A 68 2.248 20.612 10.767 1.00 0.00 C ATOM 1006 O GLY A 68 3.246 21.322 10.897 1.00 0.00 O ATOM 0 H GLY A 68 -0.838 20.067 10.720 1.00 0.00 H new ATOM 0 HA2 GLY A 68 0.662 21.137 9.431 1.00 0.00 H new ATOM 0 HA3 GLY A 68 0.926 22.293 10.721 1.00 0.00 H new ATOM 1010 N THR A 69 2.289 19.287 10.856 1.00 0.00 N ATOM 1011 CA THR A 69 3.533 18.575 11.119 1.00 0.00 C ATOM 1012 C THR A 69 3.691 17.379 10.188 1.00 0.00 C ATOM 1013 O THR A 69 2.717 16.902 9.605 1.00 0.00 O ATOM 1014 CB THR A 69 3.604 18.089 12.579 1.00 0.00 C ATOM 1015 OG1 THR A 69 4.940 17.682 12.896 1.00 0.00 O ATOM 1016 CG2 THR A 69 2.647 16.929 12.810 1.00 0.00 C ATOM 0 H THR A 69 1.473 18.684 10.750 1.00 0.00 H new ATOM 0 HA THR A 69 4.344 19.280 10.939 1.00 0.00 H new ATOM 0 HB THR A 69 3.313 18.915 13.228 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.977 17.376 13.826 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.715 16.603 13.848 1.00 0.00 H new ATOM 0 HG22 THR A 69 1.628 17.250 12.596 1.00 0.00 H new ATOM 0 HG23 THR A 69 2.912 16.102 12.152 1.00 0.00 H new ATOM 1024 N HIS A 70 4.922 16.897 10.053 1.00 0.00 N ATOM 1025 CA HIS A 70 5.207 15.754 9.194 1.00 0.00 C ATOM 1026 C HIS A 70 5.237 14.460 10.002 1.00 0.00 C ATOM 1027 O HIS A 70 6.204 14.182 10.712 1.00 0.00 O ATOM 1028 CB HIS A 70 6.541 15.951 8.474 1.00 0.00 C ATOM 1029 CG HIS A 70 6.549 17.117 7.534 1.00 0.00 C ATOM 1030 ND1 HIS A 70 7.262 18.272 7.775 1.00 0.00 N ATOM 1031 CD2 HIS A 70 5.926 17.302 6.347 1.00 0.00 C ATOM 1032 CE1 HIS A 70 7.076 19.118 6.778 1.00 0.00 C ATOM 1033 NE2 HIS A 70 6.270 18.553 5.897 1.00 0.00 N ATOM 0 H HIS A 70 5.739 17.281 10.528 1.00 0.00 H new ATOM 0 HA HIS A 70 4.410 15.680 8.454 1.00 0.00 H new ATOM 0 HB2 HIS A 70 7.328 16.088 9.216 1.00 0.00 H new ATOM 0 HB3 HIS A 70 6.781 15.045 7.918 1.00 0.00 H new ATOM 0 HD2 HIS A 70 5.279 16.597 5.847 1.00 0.00 H new ATOM 0 HE1 HIS A 70 7.509 20.104 6.697 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.955 18.977 5.025 1.00 0.00 H new ATOM 1042 N VAL A 71 4.172 13.673 9.890 1.00 0.00 N ATOM 1043 CA VAL A 71 4.077 12.409 10.609 1.00 0.00 C ATOM 1044 C VAL A 71 3.341 11.360 9.783 1.00 0.00 C ATOM 1045 O VAL A 71 2.386 11.673 9.071 1.00 0.00 O ATOM 1046 CB VAL A 71 3.354 12.584 11.958 1.00 0.00 C ATOM 1047 CG1 VAL A 71 1.907 13.002 11.738 1.00 0.00 C ATOM 1048 CG2 VAL A 71 3.428 11.302 12.773 1.00 0.00 C ATOM 0 H VAL A 71 3.363 13.889 9.308 1.00 0.00 H new ATOM 0 HA VAL A 71 5.097 12.072 10.792 1.00 0.00 H new ATOM 0 HB VAL A 71 3.855 13.373 12.519 1.00 0.00 H new ATOM 0 HG11 VAL A 71 1.412 13.121 12.702 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.880 13.948 11.197 1.00 0.00 H new ATOM 0 HG13 VAL A 71 1.392 12.237 11.157 1.00 0.00 H new ATOM 0 HG21 VAL A 71 2.912 11.444 13.723 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.953 10.491 12.220 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.472 11.050 12.961 1.00 0.00 H new ATOM 1058 N VAL A 72 3.791 10.113 9.883 1.00 0.00 N ATOM 1059 CA VAL A 72 3.174 9.016 9.146 1.00 0.00 C ATOM 1060 C VAL A 72 2.535 8.009 10.095 1.00 0.00 C ATOM 1061 O VAL A 72 3.026 7.783 11.200 1.00 0.00 O ATOM 1062 CB VAL A 72 4.202 8.289 8.259 1.00 0.00 C ATOM 1063 CG1 VAL A 72 4.971 7.257 9.069 1.00 0.00 C ATOM 1064 CG2 VAL A 72 3.513 7.639 7.069 1.00 0.00 C ATOM 0 H VAL A 72 4.580 9.837 10.467 1.00 0.00 H new ATOM 0 HA VAL A 72 2.403 9.453 8.512 1.00 0.00 H new ATOM 0 HB VAL A 72 4.914 9.023 7.881 1.00 0.00 H new ATOM 0 HG11 VAL A 72 5.693 6.754 8.426 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.497 7.753 9.885 1.00 0.00 H new ATOM 0 HG13 VAL A 72 4.276 6.524 9.478 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.254 7.130 6.453 1.00 0.00 H new ATOM 0 HG22 VAL A 72 2.778 6.917 7.424 1.00 0.00 H new ATOM 0 HG23 VAL A 72 3.012 8.404 6.476 1.00 0.00 H new ATOM 1074 N ARG A 73 1.435 7.405 9.653 1.00 0.00 N ATOM 1075 CA ARG A 73 0.727 6.421 10.463 1.00 0.00 C ATOM 1076 C ARG A 73 0.731 5.055 9.785 1.00 0.00 C ATOM 1077 O ARG A 73 0.640 4.957 8.560 1.00 0.00 O ATOM 1078 CB ARG A 73 -0.713 6.875 10.710 1.00 0.00 C ATOM 1079 CG ARG A 73 -1.287 6.385 12.030 1.00 0.00 C ATOM 1080 CD ARG A 73 -2.519 7.182 12.430 1.00 0.00 C ATOM 1081 NE ARG A 73 -2.176 8.368 13.211 1.00 0.00 N ATOM 1082 CZ ARG A 73 -3.078 9.194 13.727 1.00 0.00 C ATOM 1083 NH1 ARG A 73 -4.371 8.966 13.549 1.00 0.00 N ATOM 1084 NH2 ARG A 73 -2.686 10.252 14.427 1.00 0.00 N ATOM 0 H ARG A 73 1.016 7.580 8.740 1.00 0.00 H new ATOM 0 HA ARG A 73 1.243 6.334 11.419 1.00 0.00 H new ATOM 0 HB2 ARG A 73 -0.751 7.964 10.689 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.343 6.518 9.895 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.546 5.330 11.946 1.00 0.00 H new ATOM 0 HG3 ARG A 73 -0.530 6.466 12.810 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -3.062 7.483 11.534 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -3.188 6.547 13.011 1.00 0.00 H new ATOM 0 HE ARG A 73 -1.189 8.573 13.368 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -4.677 8.153 13.014 1.00 0.00 H new ATOM 0 HH12 ARG A 73 -5.061 9.603 13.947 1.00 0.00 H new ATOM 0 HH21 ARG A 73 -1.692 10.430 14.568 1.00 0.00 H new ATOM 0 HH22 ARG A 73 -3.379 10.887 14.823 1.00 0.00 H new ATOM 1098 N HIS A 74 0.838 4.001 10.588 1.00 0.00 N ATOM 1099 CA HIS A 74 0.855 2.639 10.066 1.00 0.00 C ATOM 1100 C HIS A 74 -0.294 1.822 10.647 1.00 0.00 C ATOM 1101 O HIS A 74 -0.253 1.409 11.806 1.00 0.00 O ATOM 1102 CB HIS A 74 2.189 1.964 10.385 1.00 0.00 C ATOM 1103 CG HIS A 74 3.289 2.333 9.437 1.00 0.00 C ATOM 1104 ND1 HIS A 74 4.107 1.400 8.833 1.00 0.00 N ATOM 1105 CD2 HIS A 74 3.702 3.541 8.987 1.00 0.00 C ATOM 1106 CE1 HIS A 74 4.976 2.019 8.056 1.00 0.00 C ATOM 1107 NE2 HIS A 74 4.752 3.319 8.130 1.00 0.00 N ATOM 0 H HIS A 74 0.914 4.064 11.603 1.00 0.00 H new ATOM 0 HA HIS A 74 0.732 2.689 8.984 1.00 0.00 H new ATOM 0 HB2 HIS A 74 2.489 2.231 11.398 1.00 0.00 H new ATOM 0 HB3 HIS A 74 2.053 0.883 10.368 1.00 0.00 H new ATOM 0 HD1 HIS A 74 4.049 0.390 8.966 1.00 0.00 H new ATOM 0 HD2 HIS A 74 3.284 4.501 9.252 1.00 0.00 H new ATOM 0 HE1 HIS A 74 5.741 1.543 7.460 1.00 0.00 H new ATOM 1116 N TYR A 75 -1.319 1.589 9.834 1.00 0.00 N ATOM 1117 CA TYR A 75 -2.481 0.823 10.267 1.00 0.00 C ATOM 1118 C TYR A 75 -2.196 -0.675 10.215 1.00 0.00 C ATOM 1119 O TYR A 75 -1.270 -1.120 9.536 1.00 0.00 O ATOM 1120 CB TYR A 75 -3.692 1.155 9.393 1.00 0.00 C ATOM 1121 CG TYR A 75 -4.213 2.560 9.589 1.00 0.00 C ATOM 1122 CD1 TYR A 75 -3.646 3.633 8.911 1.00 0.00 C ATOM 1123 CD2 TYR A 75 -5.274 2.816 10.449 1.00 0.00 C ATOM 1124 CE1 TYR A 75 -4.119 4.918 9.088 1.00 0.00 C ATOM 1125 CE2 TYR A 75 -5.754 4.098 10.630 1.00 0.00 C ATOM 1126 CZ TYR A 75 -5.173 5.146 9.947 1.00 0.00 C ATOM 1127 OH TYR A 75 -5.648 6.426 10.124 1.00 0.00 O ATOM 0 H TYR A 75 -1.368 1.920 8.871 1.00 0.00 H new ATOM 0 HA TYR A 75 -2.701 1.097 11.299 1.00 0.00 H new ATOM 0 HB2 TYR A 75 -3.422 1.020 8.346 1.00 0.00 H new ATOM 0 HB3 TYR A 75 -4.491 0.446 9.610 1.00 0.00 H new ATOM 0 HD1 TYR A 75 -2.822 3.459 8.235 1.00 0.00 H new ATOM 0 HD2 TYR A 75 -5.731 1.998 10.985 1.00 0.00 H new ATOM 0 HE1 TYR A 75 -3.665 5.741 8.556 1.00 0.00 H new ATOM 0 HE2 TYR A 75 -6.580 4.279 11.302 1.00 0.00 H new ATOM 0 HH TYR A 75 -6.393 6.413 10.761 1.00 0.00 H new ATOM 1137 N LYS A 76 -2.999 -1.448 10.938 1.00 0.00 N ATOM 1138 CA LYS A 76 -2.838 -2.897 10.974 1.00 0.00 C ATOM 1139 C LYS A 76 -4.068 -3.597 10.405 1.00 0.00 C ATOM 1140 O LYS A 76 -5.186 -3.092 10.513 1.00 0.00 O ATOM 1141 CB LYS A 76 -2.588 -3.367 12.408 1.00 0.00 C ATOM 1142 CG LYS A 76 -2.079 -4.795 12.502 1.00 0.00 C ATOM 1143 CD LYS A 76 -0.582 -4.870 12.250 1.00 0.00 C ATOM 1144 CE LYS A 76 -0.046 -6.274 12.487 1.00 0.00 C ATOM 1145 NZ LYS A 76 1.297 -6.465 11.873 1.00 0.00 N ATOM 0 H LYS A 76 -3.768 -1.095 11.507 1.00 0.00 H new ATOM 0 HA LYS A 76 -1.977 -3.157 10.357 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -1.865 -2.701 12.878 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -3.515 -3.283 12.975 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -2.304 -5.198 13.489 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -2.603 -5.418 11.777 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -0.369 -4.566 11.225 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -0.066 -4.167 12.904 1.00 0.00 H new ATOM 0 HE2 LYS A 76 0.014 -6.464 13.559 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -0.742 -7.003 12.073 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 1.628 -7.434 12.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 1.235 -6.309 10.847 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 1.968 -5.786 12.287 1.00 0.00 H new ATOM 1159 N VAL A 77 -3.855 -4.761 9.801 1.00 0.00 N ATOM 1160 CA VAL A 77 -4.947 -5.530 9.217 1.00 0.00 C ATOM 1161 C VAL A 77 -4.978 -6.950 9.773 1.00 0.00 C ATOM 1162 O VAL A 77 -4.022 -7.711 9.619 1.00 0.00 O ATOM 1163 CB VAL A 77 -4.832 -5.595 7.683 1.00 0.00 C ATOM 1164 CG1 VAL A 77 -5.950 -6.445 7.099 1.00 0.00 C ATOM 1165 CG2 VAL A 77 -4.849 -4.195 7.088 1.00 0.00 C ATOM 0 H VAL A 77 -2.936 -5.192 9.703 1.00 0.00 H new ATOM 0 HA VAL A 77 -5.871 -5.017 9.483 1.00 0.00 H new ATOM 0 HB VAL A 77 -3.881 -6.062 7.427 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -5.852 -6.479 6.014 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -5.886 -7.456 7.501 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -6.914 -6.010 7.363 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.767 -4.260 6.003 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.783 -3.699 7.352 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -4.010 -3.622 7.482 1.00 0.00 H new ATOM 1175 N LYS A 78 -6.082 -7.302 10.422 1.00 0.00 N ATOM 1176 CA LYS A 78 -6.240 -8.630 11.001 1.00 0.00 C ATOM 1177 C LYS A 78 -6.582 -9.656 9.925 1.00 0.00 C ATOM 1178 O LYS A 78 -7.052 -9.301 8.843 1.00 0.00 O ATOM 1179 CB LYS A 78 -7.333 -8.616 12.073 1.00 0.00 C ATOM 1180 CG LYS A 78 -6.849 -8.129 13.428 1.00 0.00 C ATOM 1181 CD LYS A 78 -7.887 -8.375 14.511 1.00 0.00 C ATOM 1182 CE LYS A 78 -8.965 -7.302 14.504 1.00 0.00 C ATOM 1183 NZ LYS A 78 -9.529 -7.073 15.863 1.00 0.00 N ATOM 0 H LYS A 78 -6.882 -6.685 10.560 1.00 0.00 H new ATOM 0 HA LYS A 78 -5.293 -8.913 11.460 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -8.151 -7.978 11.738 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.737 -9.622 12.181 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -5.921 -8.639 13.689 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -6.623 -7.064 13.374 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -8.345 -9.353 14.362 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -7.399 -8.396 15.486 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -8.547 -6.370 14.122 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -9.765 -7.595 13.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -10.260 -6.335 15.816 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -9.950 -7.955 16.217 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -8.771 -6.769 16.507 1.00 0.00 H new ATOM 1197 N ARG A 79 -6.346 -10.928 10.229 1.00 0.00 N ATOM 1198 CA ARG A 79 -6.630 -12.004 9.288 1.00 0.00 C ATOM 1199 C ARG A 79 -7.607 -13.009 9.889 1.00 0.00 C ATOM 1200 O ARG A 79 -7.202 -13.955 10.564 1.00 0.00 O ATOM 1201 CB ARG A 79 -5.336 -12.713 8.886 1.00 0.00 C ATOM 1202 CG ARG A 79 -5.410 -13.394 7.529 1.00 0.00 C ATOM 1203 CD ARG A 79 -6.216 -14.682 7.596 1.00 0.00 C ATOM 1204 NE ARG A 79 -5.553 -15.700 8.405 1.00 0.00 N ATOM 1205 CZ ARG A 79 -4.513 -16.412 7.984 1.00 0.00 C ATOM 1206 NH1 ARG A 79 -4.020 -16.217 6.769 1.00 0.00 N ATOM 1207 NH2 ARG A 79 -3.964 -17.321 8.780 1.00 0.00 N ATOM 0 H ARG A 79 -5.959 -11.238 11.120 1.00 0.00 H new ATOM 0 HA ARG A 79 -7.087 -11.565 8.401 1.00 0.00 H new ATOM 0 HB2 ARG A 79 -4.523 -11.987 8.875 1.00 0.00 H new ATOM 0 HB3 ARG A 79 -5.089 -13.457 9.643 1.00 0.00 H new ATOM 0 HG2 ARG A 79 -5.863 -12.717 6.805 1.00 0.00 H new ATOM 0 HG3 ARG A 79 -4.403 -13.612 7.174 1.00 0.00 H new ATOM 0 HD2 ARG A 79 -7.201 -14.472 8.013 1.00 0.00 H new ATOM 0 HD3 ARG A 79 -6.372 -15.065 6.588 1.00 0.00 H new ATOM 0 HE ARG A 79 -5.908 -15.875 9.345 1.00 0.00 H new ATOM 0 HH11 ARG A 79 -4.439 -15.519 6.155 1.00 0.00 H new ATOM 0 HH12 ARG A 79 -3.222 -16.765 6.449 1.00 0.00 H new ATOM 0 HH21 ARG A 79 -4.340 -17.474 9.716 1.00 0.00 H new ATOM 0 HH22 ARG A 79 -3.166 -17.867 8.456 1.00 0.00 H new ATOM 1221 N GLU A 80 -8.896 -12.797 9.639 1.00 0.00 N ATOM 1222 CA GLU A 80 -9.931 -13.684 10.159 1.00 0.00 C ATOM 1223 C GLU A 80 -10.618 -14.440 9.025 1.00 0.00 C ATOM 1224 O GLU A 80 -11.628 -13.990 8.487 1.00 0.00 O ATOM 1225 CB GLU A 80 -10.965 -12.886 10.955 1.00 0.00 C ATOM 1226 CG GLU A 80 -12.077 -13.743 11.538 1.00 0.00 C ATOM 1227 CD GLU A 80 -11.733 -14.293 12.908 1.00 0.00 C ATOM 1228 OE1 GLU A 80 -10.604 -14.803 13.075 1.00 0.00 O ATOM 1229 OE2 GLU A 80 -12.589 -14.215 13.812 1.00 0.00 O ATOM 0 H GLU A 80 -9.248 -12.020 9.080 1.00 0.00 H new ATOM 0 HA GLU A 80 -9.455 -14.408 10.820 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -10.460 -12.360 11.765 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.404 -12.127 10.307 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.989 -13.150 11.607 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -12.286 -14.571 10.860 1.00 0.00 H new ATOM 1236 N GLY A 81 -10.059 -15.593 8.668 1.00 0.00 N ATOM 1237 CA GLY A 81 -10.630 -16.394 7.600 1.00 0.00 C ATOM 1238 C GLY A 81 -10.287 -15.856 6.226 1.00 0.00 C ATOM 1239 O GLY A 81 -9.271 -15.188 6.032 1.00 0.00 O ATOM 0 H GLY A 81 -9.222 -15.986 9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -10.269 -17.419 7.686 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -11.714 -16.427 7.714 1.00 0.00 H new ATOM 1243 N PRO A 82 -11.146 -16.150 5.239 1.00 0.00 N ATOM 1244 CA PRO A 82 -10.950 -15.701 3.857 1.00 0.00 C ATOM 1245 C PRO A 82 -11.137 -14.196 3.704 1.00 0.00 C ATOM 1246 O PRO A 82 -11.067 -13.661 2.597 1.00 0.00 O ATOM 1247 CB PRO A 82 -12.033 -16.456 3.082 1.00 0.00 C ATOM 1248 CG PRO A 82 -13.093 -16.738 4.089 1.00 0.00 C ATOM 1249 CD PRO A 82 -12.378 -16.942 5.396 1.00 0.00 C ATOM 0 HA PRO A 82 -9.938 -15.898 3.504 1.00 0.00 H new ATOM 0 HB2 PRO A 82 -12.420 -15.857 2.257 1.00 0.00 H new ATOM 0 HB3 PRO A 82 -11.642 -17.377 2.651 1.00 0.00 H new ATOM 0 HG2 PRO A 82 -13.799 -15.910 4.155 1.00 0.00 H new ATOM 0 HG3 PRO A 82 -13.666 -17.624 3.815 1.00 0.00 H new ATOM 0 HD2 PRO A 82 -12.975 -16.594 6.239 1.00 0.00 H new ATOM 0 HD3 PRO A 82 -12.159 -17.995 5.574 1.00 0.00 H new ATOM 1257 N LYS A 83 -11.373 -13.517 4.822 1.00 0.00 N ATOM 1258 CA LYS A 83 -11.567 -12.072 4.812 1.00 0.00 C ATOM 1259 C LYS A 83 -10.498 -11.374 5.647 1.00 0.00 C ATOM 1260 O LYS A 83 -9.785 -12.014 6.420 1.00 0.00 O ATOM 1261 CB LYS A 83 -12.958 -11.721 5.348 1.00 0.00 C ATOM 1262 CG LYS A 83 -13.280 -12.376 6.680 1.00 0.00 C ATOM 1263 CD LYS A 83 -14.654 -11.968 7.183 1.00 0.00 C ATOM 1264 CE LYS A 83 -15.067 -12.785 8.399 1.00 0.00 C ATOM 1265 NZ LYS A 83 -16.282 -12.226 9.056 1.00 0.00 N ATOM 0 H LYS A 83 -11.434 -13.944 5.746 1.00 0.00 H new ATOM 0 HA LYS A 83 -11.482 -11.725 3.782 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -13.034 -10.639 5.457 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -13.707 -12.021 4.615 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -13.237 -13.460 6.573 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -12.525 -12.098 7.415 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -14.649 -10.909 7.439 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -15.388 -12.100 6.388 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -15.259 -13.815 8.097 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -14.246 -12.811 9.115 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -16.531 -12.810 9.880 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -16.091 -11.252 9.367 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -17.073 -12.225 8.380 1.00 0.00 H new ATOM 1279 N TYR A 84 -10.394 -10.059 5.486 1.00 0.00 N ATOM 1280 CA TYR A 84 -9.412 -9.274 6.225 1.00 0.00 C ATOM 1281 C TYR A 84 -10.082 -8.124 6.969 1.00 0.00 C ATOM 1282 O TYR A 84 -10.446 -7.111 6.371 1.00 0.00 O ATOM 1283 CB TYR A 84 -8.346 -8.730 5.274 1.00 0.00 C ATOM 1284 CG TYR A 84 -7.881 -9.735 4.245 1.00 0.00 C ATOM 1285 CD1 TYR A 84 -7.666 -11.064 4.591 1.00 0.00 C ATOM 1286 CD2 TYR A 84 -7.656 -9.358 2.927 1.00 0.00 C ATOM 1287 CE1 TYR A 84 -7.240 -11.987 3.655 1.00 0.00 C ATOM 1288 CE2 TYR A 84 -7.231 -10.274 1.984 1.00 0.00 C ATOM 1289 CZ TYR A 84 -7.025 -11.586 2.353 1.00 0.00 C ATOM 1290 OH TYR A 84 -6.602 -12.502 1.415 1.00 0.00 O ATOM 0 H TYR A 84 -10.977 -9.515 4.851 1.00 0.00 H new ATOM 0 HA TYR A 84 -8.937 -9.927 6.957 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -8.743 -7.854 4.760 1.00 0.00 H new ATOM 0 HB3 TYR A 84 -7.488 -8.396 5.857 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -7.835 -11.381 5.610 1.00 0.00 H new ATOM 0 HD2 TYR A 84 -7.816 -8.331 2.634 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -7.077 -13.016 3.941 1.00 0.00 H new ATOM 0 HE2 TYR A 84 -7.061 -9.964 0.964 1.00 0.00 H new ATOM 0 HH TYR A 84 -6.499 -12.058 0.547 1.00 0.00 H new ATOM 1300 N VAL A 85 -10.240 -8.287 8.278 1.00 0.00 N ATOM 1301 CA VAL A 85 -10.865 -7.262 9.106 1.00 0.00 C ATOM 1302 C VAL A 85 -9.939 -6.065 9.291 1.00 0.00 C ATOM 1303 O VAL A 85 -8.727 -6.223 9.446 1.00 0.00 O ATOM 1304 CB VAL A 85 -11.250 -7.816 10.491 1.00 0.00 C ATOM 1305 CG1 VAL A 85 -11.797 -6.707 11.377 1.00 0.00 C ATOM 1306 CG2 VAL A 85 -12.261 -8.944 10.349 1.00 0.00 C ATOM 0 H VAL A 85 -9.944 -9.119 8.788 1.00 0.00 H new ATOM 0 HA VAL A 85 -11.768 -6.943 8.586 1.00 0.00 H new ATOM 0 HB VAL A 85 -10.354 -8.218 10.965 1.00 0.00 H new ATOM 0 HG11 VAL A 85 -12.063 -7.117 12.351 1.00 0.00 H new ATOM 0 HG12 VAL A 85 -11.038 -5.935 11.504 1.00 0.00 H new ATOM 0 HG13 VAL A 85 -12.682 -6.273 10.912 1.00 0.00 H new ATOM 0 HG21 VAL A 85 -12.523 -9.325 11.336 1.00 0.00 H new ATOM 0 HG22 VAL A 85 -13.158 -8.569 9.855 1.00 0.00 H new ATOM 0 HG23 VAL A 85 -11.828 -9.748 9.753 1.00 0.00 H new ATOM 1316 N ILE A 86 -10.516 -4.868 9.272 1.00 0.00 N ATOM 1317 CA ILE A 86 -9.743 -3.645 9.439 1.00 0.00 C ATOM 1318 C ILE A 86 -9.702 -3.214 10.901 1.00 0.00 C ATOM 1319 O ILE A 86 -10.728 -3.189 11.580 1.00 0.00 O ATOM 1320 CB ILE A 86 -10.320 -2.494 8.593 1.00 0.00 C ATOM 1321 CG1 ILE A 86 -10.589 -2.968 7.164 1.00 0.00 C ATOM 1322 CG2 ILE A 86 -9.368 -1.308 8.593 1.00 0.00 C ATOM 1323 CD1 ILE A 86 -10.964 -1.850 6.216 1.00 0.00 C ATOM 0 H ILE A 86 -11.517 -4.720 9.142 1.00 0.00 H new ATOM 0 HA ILE A 86 -8.731 -3.864 9.099 1.00 0.00 H new ATOM 0 HB ILE A 86 -11.265 -2.176 9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -9.701 -3.473 6.784 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -11.392 -3.705 7.180 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -9.790 -0.503 7.991 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -9.222 -0.959 9.615 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -8.409 -1.611 8.173 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -11.140 -2.260 5.222 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -11.870 -1.360 6.572 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -10.152 -1.124 6.171 1.00 0.00 H new ATOM 1335 N ASP A 87 -8.510 -2.877 11.380 1.00 0.00 N ATOM 1336 CA ASP A 87 -8.335 -2.445 12.762 1.00 0.00 C ATOM 1337 C ASP A 87 -8.883 -1.036 12.965 1.00 0.00 C ATOM 1338 O ASP A 87 -8.127 -0.066 13.027 1.00 0.00 O ATOM 1339 CB ASP A 87 -6.856 -2.491 13.150 1.00 0.00 C ATOM 1340 CG ASP A 87 -6.024 -1.486 12.378 1.00 0.00 C ATOM 1341 OD1 ASP A 87 -6.401 -1.157 11.233 1.00 0.00 O ATOM 1342 OD2 ASP A 87 -4.996 -1.028 12.918 1.00 0.00 O ATOM 0 H ASP A 87 -7.650 -2.895 10.832 1.00 0.00 H new ATOM 0 HA ASP A 87 -8.892 -3.128 13.403 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.757 -2.296 14.218 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -6.467 -3.494 12.972 1.00 0.00 H new ATOM 1347 N VAL A 88 -10.205 -0.929 13.065 1.00 0.00 N ATOM 1348 CA VAL A 88 -10.855 0.361 13.260 1.00 0.00 C ATOM 1349 C VAL A 88 -12.067 0.233 14.175 1.00 0.00 C ATOM 1350 O VAL A 88 -12.351 -0.844 14.698 1.00 0.00 O ATOM 1351 CB VAL A 88 -11.300 0.974 11.919 1.00 0.00 C ATOM 1352 CG1 VAL A 88 -10.094 1.423 11.109 1.00 0.00 C ATOM 1353 CG2 VAL A 88 -12.140 -0.021 11.132 1.00 0.00 C ATOM 0 H VAL A 88 -10.846 -1.721 13.014 1.00 0.00 H new ATOM 0 HA VAL A 88 -10.120 1.018 13.725 1.00 0.00 H new ATOM 0 HB VAL A 88 -11.914 1.850 12.127 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -10.429 1.853 10.165 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -9.536 2.172 11.671 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -9.451 0.566 10.909 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -12.446 0.428 10.187 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -11.552 -0.917 10.934 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -13.025 -0.288 11.710 1.00 0.00 H new ATOM 1363 N GLU A 89 -12.780 1.340 14.364 1.00 0.00 N ATOM 1364 CA GLU A 89 -13.963 1.350 15.216 1.00 0.00 C ATOM 1365 C GLU A 89 -14.738 0.042 15.088 1.00 0.00 C ATOM 1366 O GLU A 89 -14.850 -0.720 16.048 1.00 0.00 O ATOM 1367 CB GLU A 89 -14.868 2.529 14.856 1.00 0.00 C ATOM 1368 CG GLU A 89 -14.109 3.806 14.540 1.00 0.00 C ATOM 1369 CD GLU A 89 -13.759 3.929 13.069 1.00 0.00 C ATOM 1370 OE1 GLU A 89 -14.687 3.894 12.234 1.00 0.00 O ATOM 1371 OE2 GLU A 89 -12.557 4.058 12.753 1.00 0.00 O ATOM 0 H GLU A 89 -12.559 2.240 13.939 1.00 0.00 H new ATOM 0 HA GLU A 89 -13.633 1.457 16.249 1.00 0.00 H new ATOM 0 HB2 GLU A 89 -15.479 2.257 13.995 1.00 0.00 H new ATOM 0 HB3 GLU A 89 -15.551 2.718 15.684 1.00 0.00 H new ATOM 0 HG2 GLU A 89 -14.710 4.665 14.840 1.00 0.00 H new ATOM 0 HG3 GLU A 89 -13.194 3.836 15.131 1.00 0.00 H new ATOM 1378 N GLN A 90 -15.269 -0.210 13.897 1.00 0.00 N ATOM 1379 CA GLN A 90 -16.034 -1.426 13.643 1.00 0.00 C ATOM 1380 C GLN A 90 -15.249 -2.389 12.760 1.00 0.00 C ATOM 1381 O GLN A 90 -14.518 -1.985 11.855 1.00 0.00 O ATOM 1382 CB GLN A 90 -17.371 -1.083 12.983 1.00 0.00 C ATOM 1383 CG GLN A 90 -17.237 -0.631 11.538 1.00 0.00 C ATOM 1384 CD GLN A 90 -18.489 0.053 11.022 1.00 0.00 C ATOM 1385 OE1 GLN A 90 -19.102 0.860 11.721 1.00 0.00 O ATOM 1386 NE2 GLN A 90 -18.874 -0.267 9.792 1.00 0.00 N ATOM 0 H GLN A 90 -15.184 0.411 13.092 1.00 0.00 H new ATOM 0 HA GLN A 90 -16.223 -1.913 14.600 1.00 0.00 H new ATOM 0 HB2 GLN A 90 -18.021 -1.957 13.023 1.00 0.00 H new ATOM 0 HB3 GLN A 90 -17.859 -0.296 13.558 1.00 0.00 H new ATOM 0 HG2 GLN A 90 -16.392 0.053 11.452 1.00 0.00 H new ATOM 0 HG3 GLN A 90 -17.014 -1.494 10.910 1.00 0.00 H new ATOM 0 HE21 GLN A 90 -18.335 -0.941 9.248 1.00 0.00 H new ATOM 0 HE22 GLN A 90 -19.708 0.161 9.391 1.00 0.00 H new ATOM 1395 N PRO A 91 -15.400 -3.694 13.026 1.00 0.00 N ATOM 1396 CA PRO A 91 -14.713 -4.743 12.266 1.00 0.00 C ATOM 1397 C PRO A 91 -15.247 -4.871 10.843 1.00 0.00 C ATOM 1398 O PRO A 91 -16.081 -5.730 10.557 1.00 0.00 O ATOM 1399 CB PRO A 91 -15.012 -6.013 13.066 1.00 0.00 C ATOM 1400 CG PRO A 91 -16.284 -5.720 13.784 1.00 0.00 C ATOM 1401 CD PRO A 91 -16.256 -4.248 14.090 1.00 0.00 C ATOM 0 HA PRO A 91 -13.649 -4.535 12.153 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.118 -6.878 12.411 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -14.206 -6.239 13.765 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -17.147 -5.975 13.169 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -16.360 -6.308 14.699 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -17.256 -3.814 14.068 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -15.845 -4.051 15.080 1.00 0.00 H new ATOM 1409 N PHE A 92 -14.759 -4.012 9.955 1.00 0.00 N ATOM 1410 CA PHE A 92 -15.187 -4.030 8.560 1.00 0.00 C ATOM 1411 C PHE A 92 -14.627 -5.250 7.835 1.00 0.00 C ATOM 1412 O PHE A 92 -13.424 -5.347 7.598 1.00 0.00 O ATOM 1413 CB PHE A 92 -14.739 -2.750 7.851 1.00 0.00 C ATOM 1414 CG PHE A 92 -15.058 -2.735 6.384 1.00 0.00 C ATOM 1415 CD1 PHE A 92 -16.319 -2.370 5.940 1.00 0.00 C ATOM 1416 CD2 PHE A 92 -14.098 -3.086 5.449 1.00 0.00 C ATOM 1417 CE1 PHE A 92 -16.617 -2.354 4.591 1.00 0.00 C ATOM 1418 CE2 PHE A 92 -14.390 -3.071 4.098 1.00 0.00 C ATOM 1419 CZ PHE A 92 -15.651 -2.706 3.668 1.00 0.00 C ATOM 0 H PHE A 92 -14.068 -3.295 10.175 1.00 0.00 H new ATOM 0 HA PHE A 92 -16.275 -4.086 8.540 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -15.217 -1.894 8.327 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -13.664 -2.629 7.982 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -17.078 -2.095 6.657 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -13.111 -3.374 5.779 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -17.604 -2.067 4.258 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -13.632 -3.345 3.379 1.00 0.00 H new ATOM 0 HZ PHE A 92 -15.881 -2.696 2.613 1.00 0.00 H new ATOM 1429 N SER A 93 -15.511 -6.180 7.484 1.00 0.00 N ATOM 1430 CA SER A 93 -15.106 -7.396 6.790 1.00 0.00 C ATOM 1431 C SER A 93 -15.050 -7.167 5.283 1.00 0.00 C ATOM 1432 O SER A 93 -15.959 -6.575 4.699 1.00 0.00 O ATOM 1433 CB SER A 93 -16.074 -8.536 7.109 1.00 0.00 C ATOM 1434 OG SER A 93 -17.416 -8.145 6.883 1.00 0.00 O ATOM 0 H SER A 93 -16.512 -6.114 7.669 1.00 0.00 H new ATOM 0 HA SER A 93 -14.109 -7.669 7.136 1.00 0.00 H new ATOM 0 HB2 SER A 93 -15.836 -9.402 6.492 1.00 0.00 H new ATOM 0 HB3 SER A 93 -15.951 -8.841 8.148 1.00 0.00 H new ATOM 0 HG SER A 93 -18.014 -8.892 7.093 1.00 0.00 H new ATOM 1440 N CYS A 94 -13.977 -7.640 4.659 1.00 0.00 N ATOM 1441 CA CYS A 94 -13.801 -7.488 3.218 1.00 0.00 C ATOM 1442 C CYS A 94 -13.628 -8.845 2.545 1.00 0.00 C ATOM 1443 O CYS A 94 -13.715 -9.889 3.194 1.00 0.00 O ATOM 1444 CB CYS A 94 -12.590 -6.601 2.923 1.00 0.00 C ATOM 1445 SG CYS A 94 -11.009 -7.476 2.955 1.00 0.00 S ATOM 0 H CYS A 94 -13.216 -8.132 5.127 1.00 0.00 H new ATOM 0 HA CYS A 94 -14.697 -7.015 2.815 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -12.719 -6.142 1.943 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -12.560 -5.791 3.652 1.00 0.00 H new ATOM 0 HG CYS A 94 -10.239 -7.015 2.015 1.00 0.00 H new ATOM 1451 N THR A 95 -13.385 -8.825 1.238 1.00 0.00 N ATOM 1452 CA THR A 95 -13.203 -10.054 0.475 1.00 0.00 C ATOM 1453 C THR A 95 -11.775 -10.172 -0.043 1.00 0.00 C ATOM 1454 O THR A 95 -11.326 -11.259 -0.407 1.00 0.00 O ATOM 1455 CB THR A 95 -14.178 -10.125 -0.715 1.00 0.00 C ATOM 1456 OG1 THR A 95 -14.128 -11.427 -1.312 1.00 0.00 O ATOM 1457 CG2 THR A 95 -13.837 -9.070 -1.758 1.00 0.00 C ATOM 0 H THR A 95 -13.310 -7.971 0.686 1.00 0.00 H new ATOM 0 HA THR A 95 -13.409 -10.882 1.153 1.00 0.00 H new ATOM 0 HB THR A 95 -15.185 -9.934 -0.344 1.00 0.00 H new ATOM 0 HG1 THR A 95 -13.220 -11.788 -1.234 1.00 0.00 H new ATOM 0 HG21 THR A 95 -14.539 -9.140 -2.589 1.00 0.00 H new ATOM 0 HG22 THR A 95 -13.904 -8.079 -1.309 1.00 0.00 H new ATOM 0 HG23 THR A 95 -12.824 -9.235 -2.124 1.00 0.00 H new ATOM 1465 N SER A 96 -11.066 -9.050 -0.073 1.00 0.00 N ATOM 1466 CA SER A 96 -9.688 -9.028 -0.551 1.00 0.00 C ATOM 1467 C SER A 96 -8.964 -7.777 -0.063 1.00 0.00 C ATOM 1468 O SER A 96 -9.575 -6.874 0.512 1.00 0.00 O ATOM 1469 CB SER A 96 -9.655 -9.086 -2.079 1.00 0.00 C ATOM 1470 OG SER A 96 -8.438 -9.647 -2.541 1.00 0.00 O ATOM 0 H SER A 96 -11.422 -8.143 0.228 1.00 0.00 H new ATOM 0 HA SER A 96 -9.176 -9.903 -0.150 1.00 0.00 H new ATOM 0 HB2 SER A 96 -10.494 -9.680 -2.442 1.00 0.00 H new ATOM 0 HB3 SER A 96 -9.775 -8.082 -2.487 1.00 0.00 H new ATOM 0 HG SER A 96 -8.442 -9.675 -3.521 1.00 0.00 H new ATOM 1476 N LEU A 97 -7.656 -7.729 -0.296 1.00 0.00 N ATOM 1477 CA LEU A 97 -6.847 -6.589 0.119 1.00 0.00 C ATOM 1478 C LEU A 97 -7.308 -5.311 -0.575 1.00 0.00 C ATOM 1479 O LEU A 97 -7.333 -4.238 0.029 1.00 0.00 O ATOM 1480 CB LEU A 97 -5.371 -6.846 -0.191 1.00 0.00 C ATOM 1481 CG LEU A 97 -4.587 -7.617 0.872 1.00 0.00 C ATOM 1482 CD1 LEU A 97 -3.232 -8.043 0.330 1.00 0.00 C ATOM 1483 CD2 LEU A 97 -4.420 -6.772 2.127 1.00 0.00 C ATOM 0 H LEU A 97 -7.134 -8.466 -0.770 1.00 0.00 H new ATOM 0 HA LEU A 97 -6.970 -6.461 1.194 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -5.308 -7.395 -1.130 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -4.881 -5.885 -0.350 1.00 0.00 H new ATOM 0 HG LEU A 97 -5.149 -8.514 1.133 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -2.688 -8.590 1.100 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -3.373 -8.684 -0.540 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -2.662 -7.160 0.041 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -3.860 -7.336 2.873 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -3.879 -5.858 1.881 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -5.401 -6.516 2.527 1.00 0.00 H new ATOM 1495 N ASP A 98 -7.676 -5.434 -1.846 1.00 0.00 N ATOM 1496 CA ASP A 98 -8.141 -4.290 -2.621 1.00 0.00 C ATOM 1497 C ASP A 98 -9.195 -3.503 -1.851 1.00 0.00 C ATOM 1498 O ASP A 98 -9.067 -2.294 -1.661 1.00 0.00 O ATOM 1499 CB ASP A 98 -8.712 -4.754 -3.963 1.00 0.00 C ATOM 1500 CG ASP A 98 -9.150 -3.596 -4.837 1.00 0.00 C ATOM 1501 OD1 ASP A 98 -8.296 -3.045 -5.564 1.00 0.00 O ATOM 1502 OD2 ASP A 98 -10.346 -3.241 -4.796 1.00 0.00 O ATOM 0 H ASP A 98 -7.661 -6.314 -2.361 1.00 0.00 H new ATOM 0 HA ASP A 98 -7.288 -3.636 -2.804 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -7.960 -5.340 -4.491 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -9.562 -5.413 -3.785 1.00 0.00 H new ATOM 1507 N ALA A 99 -10.238 -4.197 -1.408 1.00 0.00 N ATOM 1508 CA ALA A 99 -11.315 -3.563 -0.656 1.00 0.00 C ATOM 1509 C ALA A 99 -10.763 -2.589 0.378 1.00 0.00 C ATOM 1510 O ALA A 99 -11.109 -1.407 0.381 1.00 0.00 O ATOM 1511 CB ALA A 99 -12.180 -4.618 0.017 1.00 0.00 C ATOM 0 H ALA A 99 -10.360 -5.199 -1.557 1.00 0.00 H new ATOM 0 HA ALA A 99 -11.930 -2.997 -1.356 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -12.980 -4.131 0.575 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -12.612 -5.272 -0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -11.569 -5.208 0.700 1.00 0.00 H new ATOM 1517 N VAL A 100 -9.903 -3.093 1.258 1.00 0.00 N ATOM 1518 CA VAL A 100 -9.301 -2.267 2.298 1.00 0.00 C ATOM 1519 C VAL A 100 -8.885 -0.907 1.748 1.00 0.00 C ATOM 1520 O VAL A 100 -9.331 0.133 2.232 1.00 0.00 O ATOM 1521 CB VAL A 100 -8.073 -2.955 2.921 1.00 0.00 C ATOM 1522 CG1 VAL A 100 -7.491 -2.101 4.038 1.00 0.00 C ATOM 1523 CG2 VAL A 100 -8.441 -4.338 3.435 1.00 0.00 C ATOM 0 H VAL A 100 -9.608 -4.069 1.271 1.00 0.00 H new ATOM 0 HA VAL A 100 -10.059 -2.127 3.069 1.00 0.00 H new ATOM 0 HB VAL A 100 -7.312 -3.069 2.149 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -6.624 -2.604 4.466 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -7.188 -1.134 3.637 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -8.244 -1.953 4.812 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -7.561 -4.810 3.872 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -9.219 -4.249 4.193 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -8.807 -4.948 2.609 1.00 0.00 H new ATOM 1533 N VAL A 101 -8.026 -0.924 0.734 1.00 0.00 N ATOM 1534 CA VAL A 101 -7.550 0.308 0.116 1.00 0.00 C ATOM 1535 C VAL A 101 -8.703 1.266 -0.163 1.00 0.00 C ATOM 1536 O VAL A 101 -8.581 2.474 0.032 1.00 0.00 O ATOM 1537 CB VAL A 101 -6.804 0.023 -1.201 1.00 0.00 C ATOM 1538 CG1 VAL A 101 -6.350 1.322 -1.850 1.00 0.00 C ATOM 1539 CG2 VAL A 101 -5.621 -0.901 -0.954 1.00 0.00 C ATOM 0 H VAL A 101 -7.646 -1.777 0.323 1.00 0.00 H new ATOM 0 HA VAL A 101 -6.861 0.770 0.823 1.00 0.00 H new ATOM 0 HB VAL A 101 -7.489 -0.477 -1.885 1.00 0.00 H new ATOM 0 HG11 VAL A 101 -5.825 1.100 -2.779 1.00 0.00 H new ATOM 0 HG12 VAL A 101 -7.219 1.945 -2.064 1.00 0.00 H new ATOM 0 HG13 VAL A 101 -5.681 1.853 -1.173 1.00 0.00 H new ATOM 0 HG21 VAL A 101 -5.106 -1.092 -1.895 1.00 0.00 H new ATOM 0 HG22 VAL A 101 -4.932 -0.431 -0.252 1.00 0.00 H new ATOM 0 HG23 VAL A 101 -5.976 -1.844 -0.538 1.00 0.00 H new ATOM 1549 N ASN A 102 -9.824 0.716 -0.619 1.00 0.00 N ATOM 1550 CA ASN A 102 -11.001 1.521 -0.925 1.00 0.00 C ATOM 1551 C ASN A 102 -11.663 2.024 0.354 1.00 0.00 C ATOM 1552 O ASN A 102 -11.812 3.228 0.557 1.00 0.00 O ATOM 1553 CB ASN A 102 -12.002 0.707 -1.746 1.00 0.00 C ATOM 1554 CG ASN A 102 -11.526 0.465 -3.165 1.00 0.00 C ATOM 1555 OD1 ASN A 102 -11.985 1.114 -4.105 1.00 0.00 O ATOM 1556 ND2 ASN A 102 -10.600 -0.472 -3.327 1.00 0.00 N ATOM 0 H ASN A 102 -9.942 -0.284 -0.785 1.00 0.00 H new ATOM 0 HA ASN A 102 -10.679 2.383 -1.509 1.00 0.00 H new ATOM 0 HB2 ASN A 102 -12.176 -0.251 -1.256 1.00 0.00 H new ATOM 0 HB3 ASN A 102 -12.958 1.230 -1.771 1.00 0.00 H new ATOM 0 HD21 ASN A 102 -10.241 -0.678 -4.259 1.00 0.00 H new ATOM 0 HD22 ASN A 102 -10.248 -0.986 -2.519 1.00 0.00 H new ATOM 1563 N TYR A 103 -12.060 1.092 1.214 1.00 0.00 N ATOM 1564 CA TYR A 103 -12.709 1.439 2.472 1.00 0.00 C ATOM 1565 C TYR A 103 -12.021 2.632 3.128 1.00 0.00 C ATOM 1566 O TYR A 103 -12.679 3.535 3.646 1.00 0.00 O ATOM 1567 CB TYR A 103 -12.695 0.241 3.425 1.00 0.00 C ATOM 1568 CG TYR A 103 -13.015 0.604 4.857 1.00 0.00 C ATOM 1569 CD1 TYR A 103 -12.114 1.325 5.630 1.00 0.00 C ATOM 1570 CD2 TYR A 103 -14.220 0.226 5.437 1.00 0.00 C ATOM 1571 CE1 TYR A 103 -12.402 1.658 6.939 1.00 0.00 C ATOM 1572 CE2 TYR A 103 -14.517 0.555 6.746 1.00 0.00 C ATOM 1573 CZ TYR A 103 -13.605 1.271 7.492 1.00 0.00 C ATOM 1574 OH TYR A 103 -13.896 1.601 8.797 1.00 0.00 O ATOM 0 H TYR A 103 -11.943 0.090 1.062 1.00 0.00 H new ATOM 0 HA TYR A 103 -13.742 1.711 2.256 1.00 0.00 H new ATOM 0 HB2 TYR A 103 -13.416 -0.498 3.076 1.00 0.00 H new ATOM 0 HB3 TYR A 103 -11.713 -0.230 3.389 1.00 0.00 H new ATOM 0 HD1 TYR A 103 -11.172 1.631 5.200 1.00 0.00 H new ATOM 0 HD2 TYR A 103 -14.937 -0.334 4.855 1.00 0.00 H new ATOM 0 HE1 TYR A 103 -11.689 2.218 7.526 1.00 0.00 H new ATOM 0 HE2 TYR A 103 -15.458 0.253 7.182 1.00 0.00 H new ATOM 0 HH TYR A 103 -13.791 2.567 8.921 1.00 0.00 H new ATOM 1584 N PHE A 104 -10.693 2.630 3.102 1.00 0.00 N ATOM 1585 CA PHE A 104 -9.914 3.712 3.693 1.00 0.00 C ATOM 1586 C PHE A 104 -10.187 5.032 2.978 1.00 0.00 C ATOM 1587 O PHE A 104 -10.319 6.079 3.613 1.00 0.00 O ATOM 1588 CB PHE A 104 -8.420 3.386 3.632 1.00 0.00 C ATOM 1589 CG PHE A 104 -7.924 2.626 4.829 1.00 0.00 C ATOM 1590 CD1 PHE A 104 -8.344 1.327 5.065 1.00 0.00 C ATOM 1591 CD2 PHE A 104 -7.035 3.210 5.717 1.00 0.00 C ATOM 1592 CE1 PHE A 104 -7.888 0.626 6.165 1.00 0.00 C ATOM 1593 CE2 PHE A 104 -6.576 2.514 6.819 1.00 0.00 C ATOM 1594 CZ PHE A 104 -7.003 1.220 7.043 1.00 0.00 C ATOM 0 H PHE A 104 -10.133 1.891 2.678 1.00 0.00 H new ATOM 0 HA PHE A 104 -10.214 3.815 4.736 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -8.220 2.803 2.733 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -7.857 4.315 3.542 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -9.036 0.857 4.382 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -6.697 4.221 5.546 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -8.224 -0.386 6.338 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.884 2.981 7.504 1.00 0.00 H new ATOM 0 HZ PHE A 104 -6.645 0.674 7.903 1.00 0.00 H new ATOM 1604 N VAL A 105 -10.272 4.975 1.653 1.00 0.00 N ATOM 1605 CA VAL A 105 -10.529 6.165 0.852 1.00 0.00 C ATOM 1606 C VAL A 105 -11.834 6.836 1.268 1.00 0.00 C ATOM 1607 O VAL A 105 -11.862 8.028 1.571 1.00 0.00 O ATOM 1608 CB VAL A 105 -10.595 5.827 -0.650 1.00 0.00 C ATOM 1609 CG1 VAL A 105 -10.936 7.067 -1.462 1.00 0.00 C ATOM 1610 CG2 VAL A 105 -9.282 5.218 -1.117 1.00 0.00 C ATOM 0 H VAL A 105 -10.167 4.117 1.112 1.00 0.00 H new ATOM 0 HA VAL A 105 -9.699 6.850 1.027 1.00 0.00 H new ATOM 0 HB VAL A 105 -11.385 5.092 -0.805 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -10.978 6.809 -2.520 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -11.904 7.455 -1.144 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -10.171 7.827 -1.304 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -9.346 4.985 -2.180 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -8.472 5.928 -0.949 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -9.085 4.304 -0.557 1.00 0.00 H new ATOM 1620 N SER A 106 -12.914 6.061 1.281 1.00 0.00 N ATOM 1621 CA SER A 106 -14.223 6.581 1.657 1.00 0.00 C ATOM 1622 C SER A 106 -14.267 6.916 3.145 1.00 0.00 C ATOM 1623 O SER A 106 -14.935 7.864 3.560 1.00 0.00 O ATOM 1624 CB SER A 106 -15.316 5.564 1.319 1.00 0.00 C ATOM 1625 OG SER A 106 -16.605 6.108 1.544 1.00 0.00 O ATOM 0 H SER A 106 -12.908 5.071 1.035 1.00 0.00 H new ATOM 0 HA SER A 106 -14.400 7.495 1.091 1.00 0.00 H new ATOM 0 HB2 SER A 106 -15.223 5.259 0.277 1.00 0.00 H new ATOM 0 HB3 SER A 106 -15.185 4.669 1.926 1.00 0.00 H new ATOM 0 HG SER A 106 -17.286 5.440 1.319 1.00 0.00 H new ATOM 1631 N HIS A 107 -13.552 6.131 3.944 1.00 0.00 N ATOM 1632 CA HIS A 107 -13.508 6.343 5.387 1.00 0.00 C ATOM 1633 C HIS A 107 -13.043 7.759 5.713 1.00 0.00 C ATOM 1634 O HIS A 107 -13.770 8.537 6.331 1.00 0.00 O ATOM 1635 CB HIS A 107 -12.579 5.323 6.046 1.00 0.00 C ATOM 1636 CG HIS A 107 -12.516 5.448 7.536 1.00 0.00 C ATOM 1637 ND1 HIS A 107 -13.346 4.745 8.386 1.00 0.00 N ATOM 1638 CD2 HIS A 107 -11.715 6.196 8.329 1.00 0.00 C ATOM 1639 CE1 HIS A 107 -13.058 5.059 9.637 1.00 0.00 C ATOM 1640 NE2 HIS A 107 -12.072 5.936 9.630 1.00 0.00 N ATOM 0 H HIS A 107 -12.995 5.342 3.617 1.00 0.00 H new ATOM 0 HA HIS A 107 -14.516 6.211 5.780 1.00 0.00 H new ATOM 0 HB2 HIS A 107 -12.914 4.318 5.787 1.00 0.00 H new ATOM 0 HB3 HIS A 107 -11.576 5.440 5.637 1.00 0.00 H new ATOM 0 HD2 HIS A 107 -10.939 6.872 8.001 1.00 0.00 H new ATOM 0 HE1 HIS A 107 -13.547 4.665 10.516 1.00 0.00 H new ATOM 0 HE2 HIS A 107 -11.644 6.353 10.457 1.00 0.00 H new ATOM 1649 N THR A 108 -11.824 8.088 5.293 1.00 0.00 N ATOM 1650 CA THR A 108 -11.261 9.408 5.543 1.00 0.00 C ATOM 1651 C THR A 108 -12.185 10.506 5.029 1.00 0.00 C ATOM 1652 O THR A 108 -12.979 10.287 4.115 1.00 0.00 O ATOM 1653 CB THR A 108 -9.880 9.564 4.879 1.00 0.00 C ATOM 1654 OG1 THR A 108 -9.950 9.172 3.503 1.00 0.00 O ATOM 1655 CG2 THR A 108 -8.836 8.722 5.599 1.00 0.00 C ATOM 0 H THR A 108 -11.209 7.458 4.778 1.00 0.00 H new ATOM 0 HA THR A 108 -11.151 9.505 6.623 1.00 0.00 H new ATOM 0 HB THR A 108 -9.587 10.612 4.943 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.903 9.968 2.933 1.00 0.00 H new ATOM 0 HG21 THR A 108 -7.869 8.848 5.113 1.00 0.00 H new ATOM 0 HG22 THR A 108 -8.764 9.042 6.638 1.00 0.00 H new ATOM 0 HG23 THR A 108 -9.127 7.672 5.562 1.00 0.00 H new ATOM 1663 N LYS A 109 -12.076 11.691 5.622 1.00 0.00 N ATOM 1664 CA LYS A 109 -12.901 12.826 5.223 1.00 0.00 C ATOM 1665 C LYS A 109 -12.346 13.485 3.965 1.00 0.00 C ATOM 1666 O LYS A 109 -12.924 14.440 3.446 1.00 0.00 O ATOM 1667 CB LYS A 109 -12.978 13.850 6.358 1.00 0.00 C ATOM 1668 CG LYS A 109 -11.627 14.417 6.759 1.00 0.00 C ATOM 1669 CD LYS A 109 -11.280 15.656 5.951 1.00 0.00 C ATOM 1670 CE LYS A 109 -9.815 16.034 6.111 1.00 0.00 C ATOM 1671 NZ LYS A 109 -9.598 17.496 5.937 1.00 0.00 N ATOM 0 H LYS A 109 -11.424 11.890 6.381 1.00 0.00 H new ATOM 0 HA LYS A 109 -13.904 12.457 5.006 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -13.630 14.669 6.054 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -13.439 13.382 7.228 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -11.636 14.665 7.820 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -10.856 13.660 6.615 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -11.498 15.478 4.898 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -11.908 16.488 6.270 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -9.467 15.730 7.098 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -9.217 15.489 5.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -8.588 17.713 6.053 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -9.906 17.782 4.986 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -10.148 18.016 6.650 1.00 0.00 H new ATOM 1685 N LYS A 110 -11.222 12.970 3.478 1.00 0.00 N ATOM 1686 CA LYS A 110 -10.590 13.508 2.279 1.00 0.00 C ATOM 1687 C LYS A 110 -10.241 12.391 1.301 1.00 0.00 C ATOM 1688 O LYS A 110 -9.827 11.305 1.706 1.00 0.00 O ATOM 1689 CB LYS A 110 -9.327 14.288 2.650 1.00 0.00 C ATOM 1690 CG LYS A 110 -8.546 14.788 1.446 1.00 0.00 C ATOM 1691 CD LYS A 110 -7.070 14.947 1.767 1.00 0.00 C ATOM 1692 CE LYS A 110 -6.833 16.077 2.758 1.00 0.00 C ATOM 1693 NZ LYS A 110 -5.441 16.067 3.289 1.00 0.00 N ATOM 0 H LYS A 110 -10.730 12.180 3.896 1.00 0.00 H new ATOM 0 HA LYS A 110 -11.298 14.182 1.796 1.00 0.00 H new ATOM 0 HB2 LYS A 110 -9.605 15.139 3.271 1.00 0.00 H new ATOM 0 HB3 LYS A 110 -8.680 13.651 3.253 1.00 0.00 H new ATOM 0 HG2 LYS A 110 -8.666 14.090 0.618 1.00 0.00 H new ATOM 0 HG3 LYS A 110 -8.953 15.744 1.118 1.00 0.00 H new ATOM 0 HD2 LYS A 110 -6.684 14.014 2.178 1.00 0.00 H new ATOM 0 HD3 LYS A 110 -6.516 15.145 0.849 1.00 0.00 H new ATOM 0 HE2 LYS A 110 -7.030 17.033 2.272 1.00 0.00 H new ATOM 0 HE3 LYS A 110 -7.538 15.989 3.585 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 -5.320 16.852 3.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 -5.261 15.165 3.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 -4.769 16.177 2.503 1.00 0.00 H new ATOM 1707 N ALA A 111 -10.410 12.665 0.011 1.00 0.00 N ATOM 1708 CA ALA A 111 -10.110 11.684 -1.025 1.00 0.00 C ATOM 1709 C ALA A 111 -8.608 11.443 -1.133 1.00 0.00 C ATOM 1710 O ALA A 111 -7.896 12.193 -1.805 1.00 0.00 O ATOM 1711 CB ALA A 111 -10.673 12.140 -2.362 1.00 0.00 C ATOM 0 H ALA A 111 -10.753 13.559 -0.341 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.583 10.742 -0.748 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -10.442 11.398 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -11.754 12.253 -2.282 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -10.227 13.096 -2.637 1.00 0.00 H new ATOM 1717 N LEU A 112 -8.131 10.395 -0.471 1.00 0.00 N ATOM 1718 CA LEU A 112 -6.713 10.057 -0.494 1.00 0.00 C ATOM 1719 C LEU A 112 -6.332 9.391 -1.811 1.00 0.00 C ATOM 1720 O LEU A 112 -7.196 9.054 -2.621 1.00 0.00 O ATOM 1721 CB LEU A 112 -6.370 9.132 0.676 1.00 0.00 C ATOM 1722 CG LEU A 112 -6.148 9.813 2.027 1.00 0.00 C ATOM 1723 CD1 LEU A 112 -5.984 8.775 3.127 1.00 0.00 C ATOM 1724 CD2 LEU A 112 -4.933 10.728 1.970 1.00 0.00 C ATOM 0 H LEU A 112 -8.706 9.765 0.088 1.00 0.00 H new ATOM 0 HA LEU A 112 -6.144 10.982 -0.398 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.174 8.405 0.786 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -5.469 8.574 0.420 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.025 10.420 2.255 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -5.827 9.278 4.081 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.882 8.160 3.184 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -5.125 8.142 2.905 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -4.790 11.204 2.940 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -4.048 10.143 1.719 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -5.089 11.493 1.210 1.00 0.00 H new ATOM 1736 N VAL A 113 -5.033 9.202 -2.021 1.00 0.00 N ATOM 1737 CA VAL A 113 -4.539 8.572 -3.239 1.00 0.00 C ATOM 1738 C VAL A 113 -3.560 7.448 -2.918 1.00 0.00 C ATOM 1739 O VAL A 113 -2.688 7.575 -2.059 1.00 0.00 O ATOM 1740 CB VAL A 113 -3.843 9.596 -4.157 1.00 0.00 C ATOM 1741 CG1 VAL A 113 -3.243 8.903 -5.370 1.00 0.00 C ATOM 1742 CG2 VAL A 113 -4.823 10.680 -4.582 1.00 0.00 C ATOM 0 H VAL A 113 -4.304 9.476 -1.363 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.405 8.159 -3.756 1.00 0.00 H new ATOM 0 HB VAL A 113 -3.033 10.067 -3.601 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -2.756 9.641 -6.007 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -2.510 8.166 -5.042 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -4.033 8.404 -5.932 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -4.316 11.395 -5.230 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -5.655 10.227 -5.122 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -5.201 11.195 -3.699 1.00 0.00 H new ATOM 1752 N PRO A 114 -3.706 6.317 -3.626 1.00 0.00 N ATOM 1753 CA PRO A 114 -2.844 5.147 -3.436 1.00 0.00 C ATOM 1754 C PRO A 114 -1.422 5.388 -3.930 1.00 0.00 C ATOM 1755 O PRO A 114 -1.170 6.318 -4.698 1.00 0.00 O ATOM 1756 CB PRO A 114 -3.525 4.064 -4.275 1.00 0.00 C ATOM 1757 CG PRO A 114 -4.282 4.813 -5.317 1.00 0.00 C ATOM 1758 CD PRO A 114 -4.723 6.094 -4.666 1.00 0.00 C ATOM 0 HA PRO A 114 -2.738 4.886 -2.383 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -2.793 3.392 -4.723 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -4.190 3.451 -3.666 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -3.656 5.012 -6.187 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -5.139 4.237 -5.666 1.00 0.00 H new ATOM 0 HD2 PRO A 114 -4.755 6.917 -5.380 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -5.722 6.004 -4.239 1.00 0.00 H new ATOM 1766 N PHE A 115 -0.494 4.547 -3.484 1.00 0.00 N ATOM 1767 CA PHE A 115 0.904 4.670 -3.881 1.00 0.00 C ATOM 1768 C PHE A 115 1.314 3.516 -4.791 1.00 0.00 C ATOM 1769 O PHE A 115 0.908 2.371 -4.583 1.00 0.00 O ATOM 1770 CB PHE A 115 1.805 4.706 -2.645 1.00 0.00 C ATOM 1771 CG PHE A 115 3.242 5.012 -2.961 1.00 0.00 C ATOM 1772 CD1 PHE A 115 4.009 4.122 -3.695 1.00 0.00 C ATOM 1773 CD2 PHE A 115 3.825 6.190 -2.523 1.00 0.00 C ATOM 1774 CE1 PHE A 115 5.330 4.400 -3.985 1.00 0.00 C ATOM 1775 CE2 PHE A 115 5.147 6.475 -2.811 1.00 0.00 C ATOM 1776 CZ PHE A 115 5.900 5.579 -3.544 1.00 0.00 C ATOM 0 H PHE A 115 -0.685 3.773 -2.848 1.00 0.00 H new ATOM 0 HA PHE A 115 1.019 5.603 -4.433 1.00 0.00 H new ATOM 0 HB2 PHE A 115 1.426 5.456 -1.950 1.00 0.00 H new ATOM 0 HB3 PHE A 115 1.750 3.743 -2.136 1.00 0.00 H new ATOM 0 HD1 PHE A 115 3.569 3.200 -4.044 1.00 0.00 H new ATOM 0 HD2 PHE A 115 3.240 6.894 -1.950 1.00 0.00 H new ATOM 0 HE1 PHE A 115 5.917 3.696 -4.556 1.00 0.00 H new ATOM 0 HE2 PHE A 115 5.590 7.397 -2.463 1.00 0.00 H new ATOM 0 HZ PHE A 115 6.932 5.799 -3.772 1.00 0.00 H new ATOM 1786 N LEU A 116 2.120 3.824 -5.800 1.00 0.00 N ATOM 1787 CA LEU A 116 2.587 2.813 -6.743 1.00 0.00 C ATOM 1788 C LEU A 116 3.968 3.170 -7.285 1.00 0.00 C ATOM 1789 O LEU A 116 4.355 4.339 -7.307 1.00 0.00 O ATOM 1790 CB LEU A 116 1.595 2.669 -7.899 1.00 0.00 C ATOM 1791 CG LEU A 116 2.031 1.761 -9.048 1.00 0.00 C ATOM 1792 CD1 LEU A 116 2.188 0.328 -8.567 1.00 0.00 C ATOM 1793 CD2 LEU A 116 1.032 1.834 -10.194 1.00 0.00 C ATOM 0 H LEU A 116 2.464 4.766 -5.987 1.00 0.00 H new ATOM 0 HA LEU A 116 2.659 1.863 -6.213 1.00 0.00 H new ATOM 0 HB2 LEU A 116 0.655 2.289 -7.499 1.00 0.00 H new ATOM 0 HB3 LEU A 116 1.392 3.661 -8.303 1.00 0.00 H new ATOM 0 HG LEU A 116 2.998 2.108 -9.412 1.00 0.00 H new ATOM 0 HD11 LEU A 116 2.499 -0.303 -9.399 1.00 0.00 H new ATOM 0 HD12 LEU A 116 2.942 0.289 -7.781 1.00 0.00 H new ATOM 0 HD13 LEU A 116 1.236 -0.031 -8.175 1.00 0.00 H new ATOM 0 HD21 LEU A 116 1.359 1.181 -11.003 1.00 0.00 H new ATOM 0 HD22 LEU A 116 0.051 1.514 -9.843 1.00 0.00 H new ATOM 0 HD23 LEU A 116 0.970 2.860 -10.558 1.00 0.00 H new ATOM 1805 N LEU A 117 4.705 2.156 -7.723 1.00 0.00 N ATOM 1806 CA LEU A 117 6.043 2.362 -8.268 1.00 0.00 C ATOM 1807 C LEU A 117 6.374 1.301 -9.314 1.00 0.00 C ATOM 1808 O LEU A 117 6.540 0.126 -8.989 1.00 0.00 O ATOM 1809 CB LEU A 117 7.082 2.330 -7.146 1.00 0.00 C ATOM 1810 CG LEU A 117 8.334 3.179 -7.367 1.00 0.00 C ATOM 1811 CD1 LEU A 117 8.945 2.887 -8.728 1.00 0.00 C ATOM 1812 CD2 LEU A 117 8.003 4.660 -7.235 1.00 0.00 C ATOM 0 H LEU A 117 4.399 1.183 -7.712 1.00 0.00 H new ATOM 0 HA LEU A 117 6.067 3.340 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 117 6.602 2.659 -6.224 1.00 0.00 H new ATOM 0 HB3 LEU A 117 7.391 1.296 -6.993 1.00 0.00 H new ATOM 0 HG LEU A 117 9.065 2.920 -6.601 1.00 0.00 H new ATOM 0 HD11 LEU A 117 9.835 3.501 -8.867 1.00 0.00 H new ATOM 0 HD12 LEU A 117 9.218 1.833 -8.786 1.00 0.00 H new ATOM 0 HD13 LEU A 117 8.220 3.117 -9.509 1.00 0.00 H new ATOM 0 HD21 LEU A 117 8.905 5.250 -7.395 1.00 0.00 H new ATOM 0 HD22 LEU A 117 7.254 4.933 -7.978 1.00 0.00 H new ATOM 0 HD23 LEU A 117 7.612 4.858 -6.237 1.00 0.00 H new ATOM 1824 N ASP A 118 6.469 1.727 -10.569 1.00 0.00 N ATOM 1825 CA ASP A 118 6.784 0.814 -11.662 1.00 0.00 C ATOM 1826 C ASP A 118 8.291 0.605 -11.779 1.00 0.00 C ATOM 1827 O ASP A 118 9.076 1.288 -11.118 1.00 0.00 O ATOM 1828 CB ASP A 118 6.230 1.355 -12.982 1.00 0.00 C ATOM 1829 CG ASP A 118 6.461 2.844 -13.140 1.00 0.00 C ATOM 1830 OD1 ASP A 118 7.623 3.244 -13.367 1.00 0.00 O ATOM 1831 OD2 ASP A 118 5.482 3.611 -13.037 1.00 0.00 O ATOM 0 H ASP A 118 6.333 2.697 -10.854 1.00 0.00 H new ATOM 0 HA ASP A 118 6.317 -0.147 -11.445 1.00 0.00 H new ATOM 0 HB2 ASP A 118 6.699 0.827 -13.813 1.00 0.00 H new ATOM 0 HB3 ASP A 118 5.161 1.148 -13.036 1.00 0.00 H new