USER MOD reduce.3.24.130724 H: found=0, std=0, add=726, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 727 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 76 MET CE :methyl -125:sc= -0.0217 (180deg=-1.58) USER MOD Set 1.2: A 83 SER OG : rot 2:sc= -0.434 USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 180:sc= -2.58! USER MOD Single : A 42 THR OG1 : rot 126:sc= 1.2 USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 44 SER OG : rot 74:sc= 1.29 USER MOD Single : A 49 ASN : amide:sc= -0.218 K(o=-0.22,f=-2.5!) USER MOD Single : A 54 ASN : amide:sc= -4.57! C(o=-4.6!,f=-10!) USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 59 ASN : amide:sc= -0.464 X(o=-0.46,f=-0.45) USER MOD Single : A 60 GLN : amide:sc= -0.884 K(o=-0.88,f=0.56) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 CYS SG : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.121 X(o=-0.12,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 TYR OH : rot -178:sc= -0.483 USER MOD Single : A 87 TYR OH : rot 180:sc= -1.63 USER MOD Single : A 89 THR OG1 : rot 180:sc= -2.69! USER MOD Single : A 90 THR OG1 : rot 180:sc= 0.0466 USER MOD Single : A 93 SER OG : rot 170:sc= 1.12 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 87:sc= 1.18 USER MOD Single : A 101 ASN : amide:sc= -1.18 K(o=-1.2,f=-6.8!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 112 LYS NZ :NH3+ 166:sc= 0 (180deg=-0.426) USER MOD Single : A 114 THR OG1 : rot 180:sc= 0 USER MOD Single : A 116 TYR OH : rot 180:sc= 0 USER MOD Single : A 118 ASN : amide:sc= -0.0925 X(o=-0.093,f=0) USER MOD Single : A 122 LYS NZ :NH3+ -157:sc= -0.0534 (180deg=-0.338) USER MOD Single : A 124 GLN : amide:sc= -0.165 K(o=-0.16,f=-2!) USER MOD ----------------------------------------------------------------- ATOM 230 N ILE A 35 1.500 8.401 9.075 1.00 0.00 N ATOM 231 CA ILE A 35 1.351 8.282 7.630 1.00 0.00 C ATOM 232 C ILE A 35 0.255 9.208 7.113 1.00 0.00 C ATOM 233 O ILE A 35 -0.919 9.036 7.436 1.00 0.00 O ATOM 234 CB ILE A 35 1.024 6.835 7.215 1.00 0.00 C ATOM 235 CG1 ILE A 35 2.246 5.937 7.414 1.00 0.00 C ATOM 236 CG2 ILE A 35 0.558 6.792 5.767 1.00 0.00 C ATOM 237 CD1 ILE A 35 1.977 4.478 7.118 1.00 0.00 C ATOM 0 HA ILE A 35 2.305 8.570 7.189 1.00 0.00 H new ATOM 0 HB ILE A 35 0.217 6.464 7.847 1.00 0.00 H new ATOM 0 HG12 ILE A 35 3.053 6.287 6.771 1.00 0.00 H new ATOM 0 HG13 ILE A 35 2.594 6.033 8.443 1.00 0.00 H new ATOM 0 HG21 ILE A 35 0.331 5.763 5.488 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -0.337 7.405 5.654 1.00 0.00 H new ATOM 0 HG23 ILE A 35 1.346 7.178 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 35 2.887 3.900 7.280 1.00 0.00 H new ATOM 0 HD12 ILE A 35 1.192 4.111 7.779 1.00 0.00 H new ATOM 0 HD13 ILE A 35 1.658 4.370 6.081 1.00 0.00 H new ATOM 249 N GLU A 36 0.648 10.188 6.305 1.00 0.00 N ATOM 250 CA GLU A 36 -0.302 11.140 5.741 1.00 0.00 C ATOM 251 C GLU A 36 -0.760 10.695 4.356 1.00 0.00 C ATOM 252 O GLU A 36 0.048 10.545 3.439 1.00 0.00 O ATOM 253 CB GLU A 36 0.326 12.533 5.660 1.00 0.00 C ATOM 254 CG GLU A 36 0.646 13.137 7.017 1.00 0.00 C ATOM 255 CD GLU A 36 0.598 14.652 7.007 1.00 0.00 C ATOM 256 OE1 GLU A 36 -0.487 15.213 7.263 1.00 0.00 O ATOM 257 OE2 GLU A 36 1.647 15.277 6.744 1.00 0.00 O ATOM 0 H GLU A 36 1.617 10.343 6.027 1.00 0.00 H new ATOM 0 HA GLU A 36 -1.172 11.179 6.397 1.00 0.00 H new ATOM 0 HB2 GLU A 36 1.242 12.475 5.072 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -0.353 13.198 5.127 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -0.062 12.760 7.755 1.00 0.00 H new ATOM 0 HG3 GLU A 36 1.637 12.811 7.331 1.00 0.00 H new ATOM 264 N THR A 37 -2.065 10.486 4.209 1.00 0.00 N ATOM 265 CA THR A 37 -2.632 10.057 2.937 1.00 0.00 C ATOM 266 C THR A 37 -3.676 11.049 2.438 1.00 0.00 C ATOM 267 O THR A 37 -4.535 11.498 3.198 1.00 0.00 O ATOM 268 CB THR A 37 -3.280 8.663 3.052 1.00 0.00 C ATOM 269 OG1 THR A 37 -4.537 8.762 3.729 1.00 0.00 O ATOM 270 CG2 THR A 37 -2.368 7.704 3.802 1.00 0.00 C ATOM 0 H THR A 37 -2.749 10.607 4.956 1.00 0.00 H new ATOM 0 HA THR A 37 -1.809 10.010 2.224 1.00 0.00 H new ATOM 0 HB THR A 37 -3.440 8.276 2.046 1.00 0.00 H new ATOM 0 HG1 THR A 37 -4.943 7.873 3.797 1.00 0.00 H new ATOM 0 HG21 THR A 37 -2.846 6.727 3.871 1.00 0.00 H new ATOM 0 HG22 THR A 37 -1.422 7.609 3.268 1.00 0.00 H new ATOM 0 HG23 THR A 37 -2.182 8.088 4.805 1.00 0.00 H new ATOM 278 N VAL A 38 -3.597 11.389 1.155 1.00 0.00 N ATOM 279 CA VAL A 38 -4.537 12.328 0.553 1.00 0.00 C ATOM 280 C VAL A 38 -5.866 11.651 0.243 1.00 0.00 C ATOM 281 O VAL A 38 -6.071 10.481 0.567 1.00 0.00 O ATOM 282 CB VAL A 38 -3.969 12.938 -0.742 1.00 0.00 C ATOM 283 CG1 VAL A 38 -2.762 13.813 -0.435 1.00 0.00 C ATOM 284 CG2 VAL A 38 -3.605 11.842 -1.732 1.00 0.00 C ATOM 0 H VAL A 38 -2.892 11.028 0.512 1.00 0.00 H new ATOM 0 HA VAL A 38 -4.699 13.124 1.280 1.00 0.00 H new ATOM 0 HB VAL A 38 -4.737 13.565 -1.195 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -2.374 14.236 -1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -3.058 14.620 0.235 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -1.988 13.211 0.041 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -3.205 12.291 -2.641 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -2.854 11.187 -1.290 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -4.495 11.261 -1.975 1.00 0.00 H new ATOM 294 N SER A 39 -6.770 12.395 -0.387 1.00 0.00 N ATOM 295 CA SER A 39 -8.083 11.868 -0.741 1.00 0.00 C ATOM 296 C SER A 39 -8.161 11.556 -2.232 1.00 0.00 C ATOM 297 O SER A 39 -8.693 10.522 -2.634 1.00 0.00 O ATOM 298 CB SER A 39 -9.176 12.869 -0.359 1.00 0.00 C ATOM 299 OG SER A 39 -10.416 12.214 -0.150 1.00 0.00 O ATOM 0 H SER A 39 -6.617 13.365 -0.663 1.00 0.00 H new ATOM 0 HA SER A 39 -8.237 10.942 -0.187 1.00 0.00 H new ATOM 0 HB2 SER A 39 -8.885 13.402 0.546 1.00 0.00 H new ATOM 0 HB3 SER A 39 -9.283 13.614 -1.147 1.00 0.00 H new ATOM 0 HG SER A 39 -11.098 12.874 0.095 1.00 0.00 H new ATOM 305 N TYR A 40 -7.627 12.459 -3.046 1.00 0.00 N ATOM 306 CA TYR A 40 -7.637 12.284 -4.494 1.00 0.00 C ATOM 307 C TYR A 40 -6.818 11.063 -4.901 1.00 0.00 C ATOM 308 O TYR A 40 -6.170 10.431 -4.067 1.00 0.00 O ATOM 309 CB TYR A 40 -7.089 13.533 -5.185 1.00 0.00 C ATOM 310 CG TYR A 40 -5.835 14.080 -4.540 1.00 0.00 C ATOM 311 CD1 TYR A 40 -4.603 13.472 -4.747 1.00 0.00 C ATOM 312 CD2 TYR A 40 -5.883 15.206 -3.727 1.00 0.00 C ATOM 313 CE1 TYR A 40 -3.455 13.968 -4.159 1.00 0.00 C ATOM 314 CE2 TYR A 40 -4.739 15.709 -3.137 1.00 0.00 C ATOM 315 CZ TYR A 40 -3.528 15.087 -3.356 1.00 0.00 C ATOM 316 OH TYR A 40 -2.386 15.584 -2.770 1.00 0.00 O ATOM 0 H TYR A 40 -7.182 13.320 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 40 -8.669 12.128 -4.808 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -6.878 13.298 -6.228 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -7.857 14.307 -5.181 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.542 12.597 -5.378 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -6.830 15.696 -3.553 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -2.505 13.482 -4.327 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -4.793 16.585 -2.508 1.00 0.00 H new ATOM 0 HH TYR A 40 -2.610 16.375 -2.237 1.00 0.00 H new ATOM 326 N ALA A 41 -6.851 10.738 -6.189 1.00 0.00 N ATOM 327 CA ALA A 41 -6.109 9.596 -6.709 1.00 0.00 C ATOM 328 C ALA A 41 -4.640 9.947 -6.925 1.00 0.00 C ATOM 329 O ALA A 41 -4.318 10.992 -7.491 1.00 0.00 O ATOM 330 CB ALA A 41 -6.733 9.107 -8.007 1.00 0.00 C ATOM 0 H ALA A 41 -7.384 11.250 -6.892 1.00 0.00 H new ATOM 0 HA ALA A 41 -6.159 8.796 -5.971 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -6.168 8.254 -8.383 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -7.765 8.807 -7.824 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.714 9.909 -8.745 1.00 0.00 H new ATOM 336 N THR A 42 -3.754 9.067 -6.469 1.00 0.00 N ATOM 337 CA THR A 42 -2.320 9.286 -6.610 1.00 0.00 C ATOM 338 C THR A 42 -1.626 8.043 -7.160 1.00 0.00 C ATOM 339 O THR A 42 -2.036 6.918 -6.876 1.00 0.00 O ATOM 340 CB THR A 42 -1.673 9.667 -5.265 1.00 0.00 C ATOM 341 OG1 THR A 42 -1.922 8.644 -4.295 1.00 0.00 O ATOM 342 CG2 THR A 42 -2.219 10.995 -4.760 1.00 0.00 C ATOM 0 H THR A 42 -4.004 8.197 -5.999 1.00 0.00 H new ATOM 0 HA THR A 42 -2.194 10.111 -7.311 1.00 0.00 H new ATOM 0 HB THR A 42 -0.599 9.768 -5.419 1.00 0.00 H new ATOM 0 HG1 THR A 42 -1.072 8.348 -3.907 1.00 0.00 H new ATOM 0 HG21 THR A 42 -1.748 11.244 -3.809 1.00 0.00 H new ATOM 0 HG22 THR A 42 -2.003 11.777 -5.488 1.00 0.00 H new ATOM 0 HG23 THR A 42 -3.297 10.916 -4.621 1.00 0.00 H new ATOM 350 N GLN A 43 -0.576 8.257 -7.946 1.00 0.00 N ATOM 351 CA GLN A 43 0.173 7.152 -8.534 1.00 0.00 C ATOM 352 C GLN A 43 0.801 6.282 -7.451 1.00 0.00 C ATOM 353 O GLN A 43 1.183 5.139 -7.703 1.00 0.00 O ATOM 354 CB GLN A 43 1.259 7.687 -9.469 1.00 0.00 C ATOM 355 CG GLN A 43 0.756 8.005 -10.868 1.00 0.00 C ATOM 356 CD GLN A 43 1.813 8.663 -11.733 1.00 0.00 C ATOM 357 OE1 GLN A 43 1.994 9.881 -11.692 1.00 0.00 O ATOM 358 NE2 GLN A 43 2.518 7.861 -12.521 1.00 0.00 N ATOM 0 H GLN A 43 -0.225 9.183 -8.190 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.522 6.539 -9.108 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.690 8.588 -9.033 1.00 0.00 H new ATOM 0 HB3 GLN A 43 2.061 6.952 -9.539 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.421 7.085 -11.347 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.111 8.662 -10.798 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.334 6.858 -12.523 1.00 0.00 H new ATOM 0 HE22 GLN A 43 3.243 8.248 -13.125 1.00 0.00 H new ATOM 367 N SER A 44 0.905 6.830 -6.245 1.00 0.00 N ATOM 368 CA SER A 44 1.490 6.105 -5.123 1.00 0.00 C ATOM 369 C SER A 44 0.410 5.640 -4.152 1.00 0.00 C ATOM 370 O SER A 44 -0.650 6.259 -4.042 1.00 0.00 O ATOM 371 CB SER A 44 2.503 6.987 -4.391 1.00 0.00 C ATOM 372 OG SER A 44 2.119 8.350 -4.436 1.00 0.00 O ATOM 0 H SER A 44 0.592 7.774 -6.019 1.00 0.00 H new ATOM 0 HA SER A 44 2.001 5.227 -5.518 1.00 0.00 H new ATOM 0 HB2 SER A 44 2.588 6.664 -3.353 1.00 0.00 H new ATOM 0 HB3 SER A 44 3.487 6.868 -4.844 1.00 0.00 H new ATOM 0 HG SER A 44 1.365 8.498 -3.828 1.00 0.00 H new ATOM 378 N LEU A 45 0.683 4.545 -3.452 1.00 0.00 N ATOM 379 CA LEU A 45 -0.265 3.995 -2.489 1.00 0.00 C ATOM 380 C LEU A 45 0.458 3.456 -1.260 1.00 0.00 C ATOM 381 O LEU A 45 1.666 3.223 -1.289 1.00 0.00 O ATOM 382 CB LEU A 45 -1.092 2.883 -3.137 1.00 0.00 C ATOM 383 CG LEU A 45 -2.045 3.318 -4.252 1.00 0.00 C ATOM 384 CD1 LEU A 45 -2.457 2.123 -5.098 1.00 0.00 C ATOM 385 CD2 LEU A 45 -3.268 4.009 -3.670 1.00 0.00 C ATOM 0 H LEU A 45 1.554 4.020 -3.533 1.00 0.00 H new ATOM 0 HA LEU A 45 -0.931 4.798 -2.172 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -0.408 2.137 -3.542 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -1.676 2.391 -2.359 1.00 0.00 H new ATOM 0 HG LEU A 45 -1.523 4.028 -4.893 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -3.135 2.451 -5.886 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -1.572 1.672 -5.546 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -2.960 1.388 -4.469 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.934 4.311 -4.478 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.792 3.322 -3.005 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.956 4.890 -3.109 1.00 0.00 H new ATOM 397 N VAL A 46 -0.290 3.257 -0.180 1.00 0.00 N ATOM 398 CA VAL A 46 0.278 2.742 1.061 1.00 0.00 C ATOM 399 C VAL A 46 -0.479 1.509 1.541 1.00 0.00 C ATOM 400 O VAL A 46 -1.681 1.567 1.800 1.00 0.00 O ATOM 401 CB VAL A 46 0.261 3.808 2.172 1.00 0.00 C ATOM 402 CG1 VAL A 46 -1.169 4.173 2.539 1.00 0.00 C ATOM 403 CG2 VAL A 46 1.025 3.317 3.393 1.00 0.00 C ATOM 0 H VAL A 46 -1.292 3.445 -0.139 1.00 0.00 H new ATOM 0 HA VAL A 46 1.311 2.470 0.847 1.00 0.00 H new ATOM 0 HB VAL A 46 0.755 4.705 1.799 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -1.161 4.928 3.326 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -1.680 4.569 1.661 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -1.692 3.285 2.893 1.00 0.00 H new ATOM 0 HG21 VAL A 46 1.003 4.083 4.168 1.00 0.00 H new ATOM 0 HG22 VAL A 46 0.561 2.405 3.770 1.00 0.00 H new ATOM 0 HG23 VAL A 46 2.059 3.111 3.116 1.00 0.00 H new ATOM 413 N VAL A 47 0.233 0.393 1.661 1.00 0.00 N ATOM 414 CA VAL A 47 -0.372 -0.855 2.114 1.00 0.00 C ATOM 415 C VAL A 47 -0.375 -0.943 3.635 1.00 0.00 C ATOM 416 O VAL A 47 0.680 -0.971 4.268 1.00 0.00 O ATOM 417 CB VAL A 47 0.369 -2.077 1.541 1.00 0.00 C ATOM 418 CG1 VAL A 47 -0.517 -3.312 1.594 1.00 0.00 C ATOM 419 CG2 VAL A 47 0.829 -1.802 0.117 1.00 0.00 C ATOM 0 H VAL A 47 1.229 0.327 1.451 1.00 0.00 H new ATOM 0 HA VAL A 47 -1.400 -0.860 1.751 1.00 0.00 H new ATOM 0 HB VAL A 47 1.251 -2.265 2.153 1.00 0.00 H new ATOM 0 HG11 VAL A 47 0.024 -4.165 1.185 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -0.792 -3.519 2.628 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -1.419 -3.138 1.007 1.00 0.00 H new ATOM 0 HG21 VAL A 47 1.351 -2.676 -0.272 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -0.036 -1.587 -0.510 1.00 0.00 H new ATOM 0 HG23 VAL A 47 1.503 -0.945 0.111 1.00 0.00 H new ATOM 429 N ALA A 48 -1.568 -0.989 4.218 1.00 0.00 N ATOM 430 CA ALA A 48 -1.710 -1.078 5.665 1.00 0.00 C ATOM 431 C ALA A 48 -1.793 -2.530 6.122 1.00 0.00 C ATOM 432 O ALA A 48 -2.089 -3.423 5.329 1.00 0.00 O ATOM 433 CB ALA A 48 -2.940 -0.307 6.124 1.00 0.00 C ATOM 0 H ALA A 48 -2.452 -0.966 3.709 1.00 0.00 H new ATOM 0 HA ALA A 48 -0.825 -0.632 6.119 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -3.033 -0.382 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -2.839 0.741 5.840 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.829 -0.727 5.653 1.00 0.00 H new ATOM 439 N ASN A 49 -1.527 -2.759 7.403 1.00 0.00 N ATOM 440 CA ASN A 49 -1.572 -4.105 7.964 1.00 0.00 C ATOM 441 C ASN A 49 -0.708 -5.063 7.148 1.00 0.00 C ATOM 442 O ASN A 49 -0.939 -6.271 7.142 1.00 0.00 O ATOM 443 CB ASN A 49 -3.013 -4.614 8.011 1.00 0.00 C ATOM 444 CG ASN A 49 -3.708 -4.267 9.313 1.00 0.00 C ATOM 445 OD1 ASN A 49 -3.065 -3.867 10.285 1.00 0.00 O ATOM 446 ND2 ASN A 49 -5.027 -4.416 9.339 1.00 0.00 N ATOM 0 H ASN A 49 -1.278 -2.031 8.073 1.00 0.00 H new ATOM 0 HA ASN A 49 -1.177 -4.062 8.979 1.00 0.00 H new ATOM 0 HB2 ASN A 49 -3.573 -4.188 7.179 1.00 0.00 H new ATOM 0 HB3 ASN A 49 -3.018 -5.696 7.877 1.00 0.00 H new ATOM 0 HD21 ASN A 49 -5.548 -4.196 10.188 1.00 0.00 H new ATOM 0 HD22 ASN A 49 -5.519 -4.750 8.510 1.00 0.00 H new ATOM 453 N GLY A 50 0.289 -4.512 6.461 1.00 0.00 N ATOM 454 CA GLY A 50 1.171 -5.331 5.652 1.00 0.00 C ATOM 455 C GLY A 50 2.633 -5.125 5.998 1.00 0.00 C ATOM 456 O GLY A 50 3.027 -5.247 7.158 1.00 0.00 O ATOM 0 H GLY A 50 0.501 -3.514 6.451 1.00 0.00 H new ATOM 0 HA2 GLY A 50 0.913 -6.381 5.788 1.00 0.00 H new ATOM 0 HA3 GLY A 50 1.014 -5.098 4.599 1.00 0.00 H new ATOM 460 N GLY A 51 3.441 -4.814 4.989 1.00 0.00 N ATOM 461 CA GLY A 51 4.858 -4.597 5.213 1.00 0.00 C ATOM 462 C GLY A 51 5.566 -5.846 5.699 1.00 0.00 C ATOM 463 O GLY A 51 4.950 -6.718 6.314 1.00 0.00 O ATOM 0 H GLY A 51 3.139 -4.708 4.020 1.00 0.00 H new ATOM 0 HA2 GLY A 51 5.321 -4.258 4.287 1.00 0.00 H new ATOM 0 HA3 GLY A 51 4.989 -3.800 5.945 1.00 0.00 H new ATOM 467 N LEU A 52 6.863 -5.935 5.423 1.00 0.00 N ATOM 468 CA LEU A 52 7.655 -7.089 5.835 1.00 0.00 C ATOM 469 C LEU A 52 7.310 -7.504 7.262 1.00 0.00 C ATOM 470 O LEU A 52 7.051 -8.676 7.533 1.00 0.00 O ATOM 471 CB LEU A 52 9.147 -6.770 5.731 1.00 0.00 C ATOM 472 CG LEU A 52 9.650 -6.353 4.349 1.00 0.00 C ATOM 473 CD1 LEU A 52 10.974 -5.616 4.462 1.00 0.00 C ATOM 474 CD2 LEU A 52 9.790 -7.569 3.444 1.00 0.00 C ATOM 0 H LEU A 52 7.388 -5.222 4.916 1.00 0.00 H new ATOM 0 HA LEU A 52 7.419 -7.918 5.168 1.00 0.00 H new ATOM 0 HB2 LEU A 52 9.377 -5.971 6.436 1.00 0.00 H new ATOM 0 HB3 LEU A 52 9.709 -7.648 6.050 1.00 0.00 H new ATOM 0 HG LEU A 52 8.919 -5.677 3.906 1.00 0.00 H new ATOM 0 HD11 LEU A 52 11.316 -5.327 3.468 1.00 0.00 H new ATOM 0 HD12 LEU A 52 10.843 -4.724 5.074 1.00 0.00 H new ATOM 0 HD13 LEU A 52 11.715 -6.268 4.925 1.00 0.00 H new ATOM 0 HD21 LEU A 52 10.149 -7.254 2.464 1.00 0.00 H new ATOM 0 HD22 LEU A 52 10.501 -8.269 3.883 1.00 0.00 H new ATOM 0 HD23 LEU A 52 8.821 -8.056 3.336 1.00 0.00 H new ATOM 486 N GLY A 53 7.307 -6.534 8.172 1.00 0.00 N ATOM 487 CA GLY A 53 6.991 -6.819 9.559 1.00 0.00 C ATOM 488 C GLY A 53 5.828 -7.780 9.702 1.00 0.00 C ATOM 489 O GLY A 53 5.806 -8.607 10.614 1.00 0.00 O ATOM 0 H GLY A 53 7.518 -5.556 7.973 1.00 0.00 H new ATOM 0 HA2 GLY A 53 7.869 -7.240 10.049 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.754 -5.888 10.073 1.00 0.00 H new ATOM 493 N ASN A 54 4.857 -7.671 8.802 1.00 0.00 N ATOM 494 CA ASN A 54 3.684 -8.536 8.834 1.00 0.00 C ATOM 495 C ASN A 54 3.950 -9.843 8.092 1.00 0.00 C ATOM 496 O ASN A 54 3.032 -10.466 7.561 1.00 0.00 O ATOM 497 CB ASN A 54 2.480 -7.822 8.216 1.00 0.00 C ATOM 498 CG ASN A 54 1.981 -6.679 9.078 1.00 0.00 C ATOM 499 OD1 ASN A 54 2.750 -5.803 9.474 1.00 0.00 O ATOM 500 ND2 ASN A 54 0.686 -6.682 9.374 1.00 0.00 N ATOM 0 H ASN A 54 4.859 -6.992 8.041 1.00 0.00 H new ATOM 0 HA ASN A 54 3.465 -8.769 9.876 1.00 0.00 H new ATOM 0 HB2 ASN A 54 2.753 -7.439 7.233 1.00 0.00 H new ATOM 0 HB3 ASN A 54 1.673 -8.539 8.066 1.00 0.00 H new ATOM 0 HD21 ASN A 54 0.293 -5.938 9.951 1.00 0.00 H new ATOM 0 HD22 ASN A 54 0.085 -7.428 9.024 1.00 0.00 H new ATOM 507 N GLY A 55 5.216 -10.251 8.059 1.00 0.00 N ATOM 508 CA GLY A 55 5.581 -11.480 7.381 1.00 0.00 C ATOM 509 C GLY A 55 5.192 -11.471 5.915 1.00 0.00 C ATOM 510 O GLY A 55 5.134 -12.521 5.275 1.00 0.00 O ATOM 0 H GLY A 55 5.994 -9.752 8.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 6.657 -11.633 7.467 1.00 0.00 H new ATOM 0 HA3 GLY A 55 5.098 -12.322 7.877 1.00 0.00 H new ATOM 514 N VAL A 56 4.925 -10.283 5.383 1.00 0.00 N ATOM 515 CA VAL A 56 4.538 -10.141 3.984 1.00 0.00 C ATOM 516 C VAL A 56 5.738 -9.777 3.117 1.00 0.00 C ATOM 517 O VAL A 56 6.185 -8.629 3.108 1.00 0.00 O ATOM 518 CB VAL A 56 3.447 -9.068 3.809 1.00 0.00 C ATOM 519 CG1 VAL A 56 3.155 -8.840 2.334 1.00 0.00 C ATOM 520 CG2 VAL A 56 2.184 -9.467 4.556 1.00 0.00 C ATOM 0 H VAL A 56 4.969 -9.405 5.899 1.00 0.00 H new ATOM 0 HA VAL A 56 4.142 -11.105 3.665 1.00 0.00 H new ATOM 0 HB VAL A 56 3.811 -8.131 4.232 1.00 0.00 H new ATOM 0 HG11 VAL A 56 2.382 -8.079 2.230 1.00 0.00 H new ATOM 0 HG12 VAL A 56 4.063 -8.507 1.831 1.00 0.00 H new ATOM 0 HG13 VAL A 56 2.811 -9.771 1.883 1.00 0.00 H new ATOM 0 HG21 VAL A 56 1.424 -8.698 4.422 1.00 0.00 H new ATOM 0 HG22 VAL A 56 1.814 -10.415 4.165 1.00 0.00 H new ATOM 0 HG23 VAL A 56 2.408 -9.575 5.617 1.00 0.00 H new ATOM 530 N SER A 57 6.256 -10.760 2.388 1.00 0.00 N ATOM 531 CA SER A 57 7.406 -10.545 1.519 1.00 0.00 C ATOM 532 C SER A 57 7.001 -9.783 0.261 1.00 0.00 C ATOM 533 O SER A 57 5.817 -9.670 -0.056 1.00 0.00 O ATOM 534 CB SER A 57 8.043 -11.882 1.138 1.00 0.00 C ATOM 535 OG SER A 57 8.559 -12.545 2.278 1.00 0.00 O ATOM 0 H SER A 57 5.897 -11.715 2.382 1.00 0.00 H new ATOM 0 HA SER A 57 8.136 -9.947 2.065 1.00 0.00 H new ATOM 0 HB2 SER A 57 7.302 -12.515 0.650 1.00 0.00 H new ATOM 0 HB3 SER A 57 8.844 -11.715 0.418 1.00 0.00 H new ATOM 0 HG SER A 57 8.959 -13.398 2.007 1.00 0.00 H new ATOM 541 N ARG A 58 7.994 -9.263 -0.455 1.00 0.00 N ATOM 542 CA ARG A 58 7.742 -8.512 -1.678 1.00 0.00 C ATOM 543 C ARG A 58 7.218 -9.428 -2.780 1.00 0.00 C ATOM 544 O ARG A 58 6.327 -9.053 -3.542 1.00 0.00 O ATOM 545 CB ARG A 58 9.021 -7.815 -2.146 1.00 0.00 C ATOM 546 CG ARG A 58 8.987 -7.396 -3.607 1.00 0.00 C ATOM 547 CD ARG A 58 10.131 -6.452 -3.942 1.00 0.00 C ATOM 548 NE ARG A 58 10.094 -5.237 -3.133 1.00 0.00 N ATOM 549 CZ ARG A 58 11.089 -4.360 -3.077 1.00 0.00 C ATOM 550 NH1 ARG A 58 12.195 -4.562 -3.781 1.00 0.00 N ATOM 551 NH2 ARG A 58 10.981 -3.278 -2.317 1.00 0.00 N ATOM 0 H ARG A 58 8.980 -9.349 -0.208 1.00 0.00 H new ATOM 0 HA ARG A 58 6.983 -7.759 -1.463 1.00 0.00 H new ATOM 0 HB2 ARG A 58 9.191 -6.933 -1.528 1.00 0.00 H new ATOM 0 HB3 ARG A 58 9.867 -8.483 -1.988 1.00 0.00 H new ATOM 0 HG2 ARG A 58 9.046 -8.280 -4.242 1.00 0.00 H new ATOM 0 HG3 ARG A 58 8.036 -6.909 -3.825 1.00 0.00 H new ATOM 0 HD2 ARG A 58 11.081 -6.963 -3.784 1.00 0.00 H new ATOM 0 HD3 ARG A 58 10.084 -6.186 -4.998 1.00 0.00 H new ATOM 0 HE ARG A 58 9.257 -5.052 -2.580 1.00 0.00 H new ATOM 0 HH11 ARG A 58 12.282 -5.392 -4.367 1.00 0.00 H new ATOM 0 HH12 ARG A 58 12.958 -3.887 -3.737 1.00 0.00 H new ATOM 0 HH21 ARG A 58 10.132 -3.119 -1.774 1.00 0.00 H new ATOM 0 HH22 ARG A 58 11.747 -2.605 -2.275 1.00 0.00 H new ATOM 565 N ASN A 59 7.777 -10.631 -2.859 1.00 0.00 N ATOM 566 CA ASN A 59 7.366 -11.601 -3.868 1.00 0.00 C ATOM 567 C ASN A 59 6.006 -12.200 -3.525 1.00 0.00 C ATOM 568 O ASN A 59 5.448 -12.979 -4.297 1.00 0.00 O ATOM 569 CB ASN A 59 8.410 -12.712 -3.992 1.00 0.00 C ATOM 570 CG ASN A 59 9.007 -13.097 -2.652 1.00 0.00 C ATOM 571 OD1 ASN A 59 10.147 -12.750 -2.346 1.00 0.00 O ATOM 572 ND2 ASN A 59 8.236 -13.818 -1.847 1.00 0.00 N ATOM 0 H ASN A 59 8.516 -10.958 -2.236 1.00 0.00 H new ATOM 0 HA ASN A 59 7.283 -11.082 -4.823 1.00 0.00 H new ATOM 0 HB2 ASN A 59 7.951 -13.589 -4.447 1.00 0.00 H new ATOM 0 HB3 ASN A 59 9.206 -12.386 -4.661 1.00 0.00 H new ATOM 0 HD21 ASN A 59 8.583 -14.107 -0.932 1.00 0.00 H new ATOM 0 HD22 ASN A 59 7.297 -14.083 -2.143 1.00 0.00 H new ATOM 579 N GLN A 60 5.480 -11.832 -2.362 1.00 0.00 N ATOM 580 CA GLN A 60 4.185 -12.335 -1.916 1.00 0.00 C ATOM 581 C GLN A 60 3.124 -11.240 -1.983 1.00 0.00 C ATOM 582 O GLN A 60 1.925 -11.521 -1.951 1.00 0.00 O ATOM 583 CB GLN A 60 4.287 -12.875 -0.489 1.00 0.00 C ATOM 584 CG GLN A 60 2.939 -13.154 0.155 1.00 0.00 C ATOM 585 CD GLN A 60 2.134 -14.191 -0.603 1.00 0.00 C ATOM 586 OE1 GLN A 60 1.223 -13.854 -1.360 1.00 0.00 O ATOM 587 NE2 GLN A 60 2.467 -15.460 -0.403 1.00 0.00 N ATOM 0 H GLN A 60 5.929 -11.188 -1.711 1.00 0.00 H new ATOM 0 HA GLN A 60 3.889 -13.145 -2.583 1.00 0.00 H new ATOM 0 HB2 GLN A 60 4.873 -13.794 -0.499 1.00 0.00 H new ATOM 0 HB3 GLN A 60 4.831 -12.157 0.124 1.00 0.00 H new ATOM 0 HG2 GLN A 60 3.093 -13.496 1.178 1.00 0.00 H new ATOM 0 HG3 GLN A 60 2.369 -12.227 0.211 1.00 0.00 H new ATOM 0 HE21 GLN A 60 3.229 -15.693 0.234 1.00 0.00 H new ATOM 0 HE22 GLN A 60 1.961 -16.202 -0.886 1.00 0.00 H new ATOM 596 N LEU A 61 3.573 -9.994 -2.075 1.00 0.00 N ATOM 597 CA LEU A 61 2.662 -8.856 -2.147 1.00 0.00 C ATOM 598 C LEU A 61 2.649 -8.257 -3.549 1.00 0.00 C ATOM 599 O LEU A 61 1.597 -7.866 -4.059 1.00 0.00 O ATOM 600 CB LEU A 61 3.066 -7.790 -1.128 1.00 0.00 C ATOM 601 CG LEU A 61 2.012 -6.727 -0.815 1.00 0.00 C ATOM 602 CD1 LEU A 61 0.806 -7.354 -0.132 1.00 0.00 C ATOM 603 CD2 LEU A 61 2.605 -5.626 0.053 1.00 0.00 C ATOM 0 H LEU A 61 4.562 -9.745 -2.102 1.00 0.00 H new ATOM 0 HA LEU A 61 1.658 -9.210 -1.914 1.00 0.00 H new ATOM 0 HB2 LEU A 61 3.337 -8.289 -0.198 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.962 -7.288 -1.493 1.00 0.00 H new ATOM 0 HG LEU A 61 1.682 -6.284 -1.755 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.067 -6.582 0.083 1.00 0.00 H new ATOM 0 HD12 LEU A 61 0.366 -8.105 -0.788 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.120 -7.825 0.800 1.00 0.00 H new ATOM 0 HD21 LEU A 61 1.841 -4.879 0.265 1.00 0.00 H new ATOM 0 HD22 LEU A 61 2.964 -6.054 0.989 1.00 0.00 H new ATOM 0 HD23 LEU A 61 3.436 -5.156 -0.473 1.00 0.00 H new ATOM 615 N LEU A 62 3.821 -8.189 -4.170 1.00 0.00 N ATOM 616 CA LEU A 62 3.944 -7.639 -5.515 1.00 0.00 C ATOM 617 C LEU A 62 3.034 -8.378 -6.490 1.00 0.00 C ATOM 618 O LEU A 62 2.367 -7.776 -7.332 1.00 0.00 O ATOM 619 CB LEU A 62 5.396 -7.723 -5.990 1.00 0.00 C ATOM 620 CG LEU A 62 5.611 -7.664 -7.503 1.00 0.00 C ATOM 621 CD1 LEU A 62 5.357 -6.259 -8.024 1.00 0.00 C ATOM 622 CD2 LEU A 62 7.018 -8.121 -7.860 1.00 0.00 C ATOM 0 H LEU A 62 4.700 -8.508 -3.763 1.00 0.00 H new ATOM 0 HA LEU A 62 3.638 -6.593 -5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.955 -6.907 -5.531 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.826 -8.653 -5.618 1.00 0.00 H new ATOM 0 HG LEU A 62 4.900 -8.339 -7.978 1.00 0.00 H new ATOM 0 HD11 LEU A 62 5.515 -6.237 -9.102 1.00 0.00 H new ATOM 0 HD12 LEU A 62 4.330 -5.969 -7.802 1.00 0.00 H new ATOM 0 HD13 LEU A 62 6.043 -5.563 -7.542 1.00 0.00 H new ATOM 0 HD21 LEU A 62 7.153 -8.073 -8.941 1.00 0.00 H new ATOM 0 HD22 LEU A 62 7.746 -7.471 -7.374 1.00 0.00 H new ATOM 0 HD23 LEU A 62 7.164 -9.147 -7.522 1.00 0.00 H new ATOM 634 N PRO A 63 3.002 -9.714 -6.375 1.00 0.00 N ATOM 635 CA PRO A 63 2.176 -10.563 -7.237 1.00 0.00 C ATOM 636 C PRO A 63 0.742 -10.056 -7.347 1.00 0.00 C ATOM 637 O PRO A 63 0.131 -10.119 -8.415 1.00 0.00 O ATOM 638 CB PRO A 63 2.208 -11.923 -6.533 1.00 0.00 C ATOM 639 CG PRO A 63 3.486 -11.921 -5.766 1.00 0.00 C ATOM 640 CD PRO A 63 3.771 -10.498 -5.394 1.00 0.00 C ATOM 0 HA PRO A 63 2.549 -10.588 -8.261 1.00 0.00 H new ATOM 0 HB2 PRO A 63 1.350 -12.048 -5.873 1.00 0.00 H new ATOM 0 HB3 PRO A 63 2.179 -12.742 -7.252 1.00 0.00 H new ATOM 0 HG2 PRO A 63 3.402 -12.543 -4.875 1.00 0.00 H new ATOM 0 HG3 PRO A 63 4.297 -12.332 -6.367 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.455 -10.281 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.837 -10.276 -5.452 1.00 0.00 H new ATOM 648 N VAL A 64 0.209 -9.553 -6.239 1.00 0.00 N ATOM 649 CA VAL A 64 -1.152 -9.032 -6.212 1.00 0.00 C ATOM 650 C VAL A 64 -1.213 -7.623 -6.791 1.00 0.00 C ATOM 651 O VAL A 64 -2.240 -7.203 -7.326 1.00 0.00 O ATOM 652 CB VAL A 64 -1.717 -9.012 -4.779 1.00 0.00 C ATOM 653 CG1 VAL A 64 -3.182 -8.603 -4.789 1.00 0.00 C ATOM 654 CG2 VAL A 64 -1.538 -10.370 -4.118 1.00 0.00 C ATOM 0 H VAL A 64 0.700 -9.495 -5.347 1.00 0.00 H new ATOM 0 HA VAL A 64 -1.759 -9.699 -6.824 1.00 0.00 H new ATOM 0 HB VAL A 64 -1.163 -8.275 -4.198 1.00 0.00 H new ATOM 0 HG11 VAL A 64 -3.564 -8.594 -3.768 1.00 0.00 H new ATOM 0 HG12 VAL A 64 -3.279 -7.607 -5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 64 -3.754 -9.314 -5.385 1.00 0.00 H new ATOM 0 HG21 VAL A 64 -1.942 -10.338 -3.106 1.00 0.00 H new ATOM 0 HG22 VAL A 64 -2.066 -11.128 -4.696 1.00 0.00 H new ATOM 0 HG23 VAL A 64 -0.477 -10.618 -4.077 1.00 0.00 H new ATOM 664 N LEU A 65 -0.107 -6.895 -6.680 1.00 0.00 N ATOM 665 CA LEU A 65 -0.034 -5.531 -7.193 1.00 0.00 C ATOM 666 C LEU A 65 0.189 -5.529 -8.702 1.00 0.00 C ATOM 667 O LEU A 65 -0.026 -4.517 -9.367 1.00 0.00 O ATOM 668 CB LEU A 65 1.093 -4.764 -6.498 1.00 0.00 C ATOM 669 CG LEU A 65 1.066 -4.771 -4.969 1.00 0.00 C ATOM 670 CD1 LEU A 65 2.352 -4.182 -4.411 1.00 0.00 C ATOM 671 CD2 LEU A 65 -0.143 -4.003 -4.454 1.00 0.00 C ATOM 0 H LEU A 65 0.751 -7.226 -6.240 1.00 0.00 H new ATOM 0 HA LEU A 65 -0.983 -5.038 -6.984 1.00 0.00 H new ATOM 0 HB2 LEU A 65 2.045 -5.180 -6.827 1.00 0.00 H new ATOM 0 HB3 LEU A 65 1.064 -3.729 -6.837 1.00 0.00 H new ATOM 0 HG LEU A 65 0.986 -5.804 -4.630 1.00 0.00 H new ATOM 0 HD11 LEU A 65 2.315 -4.195 -3.322 1.00 0.00 H new ATOM 0 HD12 LEU A 65 3.201 -4.774 -4.753 1.00 0.00 H new ATOM 0 HD13 LEU A 65 2.462 -3.155 -4.758 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.146 -4.018 -3.364 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.094 -2.971 -4.802 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.055 -4.469 -4.826 1.00 0.00 H new ATOM 683 N GLU A 66 0.617 -6.669 -9.234 1.00 0.00 N ATOM 684 CA GLU A 66 0.867 -6.797 -10.665 1.00 0.00 C ATOM 685 C GLU A 66 -0.391 -7.255 -11.398 1.00 0.00 C ATOM 686 O GLU A 66 -0.757 -6.699 -12.433 1.00 0.00 O ATOM 687 CB GLU A 66 2.007 -7.785 -10.919 1.00 0.00 C ATOM 688 CG GLU A 66 3.349 -7.317 -10.381 1.00 0.00 C ATOM 689 CD GLU A 66 4.445 -8.348 -10.571 1.00 0.00 C ATOM 690 OE1 GLU A 66 4.176 -9.548 -10.352 1.00 0.00 O ATOM 691 OE2 GLU A 66 5.572 -7.955 -10.939 1.00 0.00 O ATOM 0 H GLU A 66 0.798 -7.517 -8.696 1.00 0.00 H new ATOM 0 HA GLU A 66 1.153 -5.817 -11.047 1.00 0.00 H new ATOM 0 HB2 GLU A 66 1.756 -8.742 -10.462 1.00 0.00 H new ATOM 0 HB3 GLU A 66 2.095 -7.957 -11.992 1.00 0.00 H new ATOM 0 HG2 GLU A 66 3.635 -6.392 -10.882 1.00 0.00 H new ATOM 0 HG3 GLU A 66 3.251 -7.088 -9.320 1.00 0.00 H new ATOM 698 N LYS A 67 -1.048 -8.273 -10.853 1.00 0.00 N ATOM 699 CA LYS A 67 -2.265 -8.807 -11.452 1.00 0.00 C ATOM 700 C LYS A 67 -3.272 -7.694 -11.724 1.00 0.00 C ATOM 701 O LYS A 67 -4.036 -7.757 -12.687 1.00 0.00 O ATOM 702 CB LYS A 67 -2.889 -9.861 -10.535 1.00 0.00 C ATOM 703 CG LYS A 67 -3.069 -9.392 -9.102 1.00 0.00 C ATOM 704 CD LYS A 67 -3.649 -10.488 -8.224 1.00 0.00 C ATOM 705 CE LYS A 67 -5.008 -10.946 -8.732 1.00 0.00 C ATOM 706 NZ LYS A 67 -5.620 -11.966 -7.834 1.00 0.00 N ATOM 0 H LYS A 67 -0.758 -8.745 -9.997 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.999 -9.272 -12.401 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -3.859 -10.152 -10.938 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -2.262 -10.752 -10.540 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.108 -9.073 -8.699 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.727 -8.523 -9.083 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.964 -11.336 -8.198 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -3.745 -10.124 -7.201 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -5.674 -10.087 -8.813 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.900 -11.362 -9.734 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -6.545 -12.253 -8.214 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -4.997 -12.796 -7.776 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -5.746 -11.561 -6.884 1.00 0.00 H new ATOM 720 N CYS A 68 -3.266 -6.677 -10.870 1.00 0.00 N ATOM 721 CA CYS A 68 -4.179 -5.549 -11.018 1.00 0.00 C ATOM 722 C CYS A 68 -3.625 -4.527 -12.005 1.00 0.00 C ATOM 723 O CYS A 68 -4.294 -4.150 -12.967 1.00 0.00 O ATOM 724 CB CYS A 68 -4.427 -4.885 -9.664 1.00 0.00 C ATOM 725 SG CYS A 68 -5.805 -5.596 -8.733 1.00 0.00 S ATOM 0 H CYS A 68 -2.639 -6.610 -10.068 1.00 0.00 H new ATOM 0 HA CYS A 68 -5.124 -5.928 -11.407 1.00 0.00 H new ATOM 0 HB2 CYS A 68 -3.520 -4.959 -9.064 1.00 0.00 H new ATOM 0 HB3 CYS A 68 -4.619 -3.824 -9.822 1.00 0.00 H new ATOM 0 HG CYS A 68 -5.934 -4.969 -7.602 1.00 0.00 H new ATOM 731 N GLY A 69 -2.396 -4.080 -11.760 1.00 0.00 N ATOM 732 CA GLY A 69 -1.774 -3.105 -12.635 1.00 0.00 C ATOM 733 C GLY A 69 -0.260 -3.200 -12.626 1.00 0.00 C ATOM 734 O GLY A 69 0.323 -3.857 -11.762 1.00 0.00 O ATOM 0 H GLY A 69 -1.821 -4.376 -10.971 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -2.138 -3.250 -13.652 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -2.074 -2.103 -12.329 1.00 0.00 H new ATOM 738 N LEU A 70 0.379 -2.546 -13.589 1.00 0.00 N ATOM 739 CA LEU A 70 1.833 -2.560 -13.689 1.00 0.00 C ATOM 740 C LEU A 70 2.470 -1.871 -12.487 1.00 0.00 C ATOM 741 O LEU A 70 2.090 -0.757 -12.124 1.00 0.00 O ATOM 742 CB LEU A 70 2.282 -1.875 -14.981 1.00 0.00 C ATOM 743 CG LEU A 70 1.969 -2.619 -16.280 1.00 0.00 C ATOM 744 CD1 LEU A 70 2.203 -1.717 -17.482 1.00 0.00 C ATOM 745 CD2 LEU A 70 2.811 -3.881 -16.387 1.00 0.00 C ATOM 0 H LEU A 70 -0.088 -1.999 -14.312 1.00 0.00 H new ATOM 0 HA LEU A 70 2.160 -3.600 -13.703 1.00 0.00 H new ATOM 0 HB2 LEU A 70 1.815 -0.891 -15.028 1.00 0.00 H new ATOM 0 HB3 LEU A 70 3.359 -1.715 -14.928 1.00 0.00 H new ATOM 0 HG LEU A 70 0.918 -2.907 -16.267 1.00 0.00 H new ATOM 0 HD11 LEU A 70 1.975 -2.264 -18.397 1.00 0.00 H new ATOM 0 HD12 LEU A 70 1.557 -0.842 -17.412 1.00 0.00 H new ATOM 0 HD13 LEU A 70 3.245 -1.398 -17.500 1.00 0.00 H new ATOM 0 HD21 LEU A 70 2.575 -4.398 -17.317 1.00 0.00 H new ATOM 0 HD22 LEU A 70 3.868 -3.615 -16.377 1.00 0.00 H new ATOM 0 HD23 LEU A 70 2.594 -4.536 -15.543 1.00 0.00 H new ATOM 757 N VAL A 71 3.441 -2.539 -11.874 1.00 0.00 N ATOM 758 CA VAL A 71 4.133 -1.990 -10.714 1.00 0.00 C ATOM 759 C VAL A 71 5.467 -1.368 -11.113 1.00 0.00 C ATOM 760 O VAL A 71 6.435 -2.076 -11.391 1.00 0.00 O ATOM 761 CB VAL A 71 4.382 -3.070 -9.644 1.00 0.00 C ATOM 762 CG1 VAL A 71 5.192 -2.501 -8.488 1.00 0.00 C ATOM 763 CG2 VAL A 71 3.063 -3.645 -9.150 1.00 0.00 C ATOM 0 H VAL A 71 3.767 -3.462 -12.161 1.00 0.00 H new ATOM 0 HA VAL A 71 3.486 -1.219 -10.296 1.00 0.00 H new ATOM 0 HB VAL A 71 4.957 -3.878 -10.096 1.00 0.00 H new ATOM 0 HG11 VAL A 71 5.358 -3.279 -7.742 1.00 0.00 H new ATOM 0 HG12 VAL A 71 6.153 -2.143 -8.858 1.00 0.00 H new ATOM 0 HG13 VAL A 71 4.647 -1.673 -8.034 1.00 0.00 H new ATOM 0 HG21 VAL A 71 3.258 -4.406 -8.395 1.00 0.00 H new ATOM 0 HG22 VAL A 71 2.459 -2.849 -8.715 1.00 0.00 H new ATOM 0 HG23 VAL A 71 2.525 -4.093 -9.986 1.00 0.00 H new ATOM 773 N ASP A 72 5.510 -0.040 -11.138 1.00 0.00 N ATOM 774 CA ASP A 72 6.725 0.678 -11.502 1.00 0.00 C ATOM 775 C ASP A 72 7.786 0.538 -10.414 1.00 0.00 C ATOM 776 O ASP A 72 8.927 0.167 -10.690 1.00 0.00 O ATOM 777 CB ASP A 72 6.418 2.157 -11.743 1.00 0.00 C ATOM 778 CG ASP A 72 7.369 2.792 -12.738 1.00 0.00 C ATOM 779 OD1 ASP A 72 8.000 2.046 -13.515 1.00 0.00 O ATOM 780 OD2 ASP A 72 7.481 4.035 -12.740 1.00 0.00 O ATOM 0 H ASP A 72 4.717 0.560 -10.910 1.00 0.00 H new ATOM 0 HA ASP A 72 7.113 0.241 -12.422 1.00 0.00 H new ATOM 0 HB2 ASP A 72 5.396 2.258 -12.107 1.00 0.00 H new ATOM 0 HB3 ASP A 72 6.474 2.695 -10.797 1.00 0.00 H new ATOM 785 N ALA A 73 7.402 0.836 -9.178 1.00 0.00 N ATOM 786 CA ALA A 73 8.318 0.743 -8.049 1.00 0.00 C ATOM 787 C ALA A 73 7.567 0.453 -6.754 1.00 0.00 C ATOM 788 O ALA A 73 6.617 1.155 -6.405 1.00 0.00 O ATOM 789 CB ALA A 73 9.126 2.025 -7.917 1.00 0.00 C ATOM 0 H ALA A 73 6.461 1.144 -8.933 1.00 0.00 H new ATOM 0 HA ALA A 73 9.001 -0.086 -8.235 1.00 0.00 H new ATOM 0 HB1 ALA A 73 9.806 1.941 -7.069 1.00 0.00 H new ATOM 0 HB2 ALA A 73 9.701 2.188 -8.829 1.00 0.00 H new ATOM 0 HB3 ALA A 73 8.451 2.866 -7.758 1.00 0.00 H new ATOM 795 N LEU A 74 7.997 -0.585 -6.045 1.00 0.00 N ATOM 796 CA LEU A 74 7.364 -0.969 -4.789 1.00 0.00 C ATOM 797 C LEU A 74 8.328 -0.797 -3.618 1.00 0.00 C ATOM 798 O LEU A 74 9.293 -1.550 -3.479 1.00 0.00 O ATOM 799 CB LEU A 74 6.882 -2.419 -4.858 1.00 0.00 C ATOM 800 CG LEU A 74 6.639 -3.111 -3.517 1.00 0.00 C ATOM 801 CD1 LEU A 74 5.442 -2.496 -2.809 1.00 0.00 C ATOM 802 CD2 LEU A 74 6.433 -4.605 -3.717 1.00 0.00 C ATOM 0 H LEU A 74 8.782 -1.176 -6.319 1.00 0.00 H new ATOM 0 HA LEU A 74 6.506 -0.315 -4.630 1.00 0.00 H new ATOM 0 HB2 LEU A 74 5.955 -2.446 -5.431 1.00 0.00 H new ATOM 0 HB3 LEU A 74 7.618 -2.999 -5.415 1.00 0.00 H new ATOM 0 HG LEU A 74 7.519 -2.967 -2.891 1.00 0.00 H new ATOM 0 HD11 LEU A 74 5.284 -3.001 -1.856 1.00 0.00 H new ATOM 0 HD12 LEU A 74 5.629 -1.437 -2.632 1.00 0.00 H new ATOM 0 HD13 LEU A 74 4.554 -2.609 -3.431 1.00 0.00 H new ATOM 0 HD21 LEU A 74 6.261 -5.081 -2.752 1.00 0.00 H new ATOM 0 HD22 LEU A 74 5.570 -4.770 -4.362 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.320 -5.036 -4.181 1.00 0.00 H new ATOM 814 N LEU A 75 8.060 0.197 -2.779 1.00 0.00 N ATOM 815 CA LEU A 75 8.902 0.466 -1.618 1.00 0.00 C ATOM 816 C LEU A 75 8.426 -0.325 -0.404 1.00 0.00 C ATOM 817 O LEU A 75 7.257 -0.255 -0.024 1.00 0.00 O ATOM 818 CB LEU A 75 8.900 1.962 -1.299 1.00 0.00 C ATOM 819 CG LEU A 75 9.630 2.377 -0.021 1.00 0.00 C ATOM 820 CD1 LEU A 75 11.134 2.363 -0.237 1.00 0.00 C ATOM 821 CD2 LEU A 75 9.167 3.752 0.435 1.00 0.00 C ATOM 0 H LEU A 75 7.267 0.830 -2.880 1.00 0.00 H new ATOM 0 HA LEU A 75 9.918 0.152 -1.856 1.00 0.00 H new ATOM 0 HB2 LEU A 75 9.349 2.493 -2.139 1.00 0.00 H new ATOM 0 HB3 LEU A 75 7.865 2.296 -1.227 1.00 0.00 H new ATOM 0 HG LEU A 75 9.390 1.657 0.762 1.00 0.00 H new ATOM 0 HD11 LEU A 75 11.637 2.661 0.683 1.00 0.00 H new ATOM 0 HD12 LEU A 75 11.452 1.358 -0.515 1.00 0.00 H new ATOM 0 HD13 LEU A 75 11.394 3.060 -1.034 1.00 0.00 H new ATOM 0 HD21 LEU A 75 9.697 4.031 1.346 1.00 0.00 H new ATOM 0 HD22 LEU A 75 9.376 4.484 -0.345 1.00 0.00 H new ATOM 0 HD23 LEU A 75 8.095 3.728 0.632 1.00 0.00 H new ATOM 833 N MET A 76 9.339 -1.076 0.201 1.00 0.00 N ATOM 834 CA MET A 76 9.014 -1.878 1.375 1.00 0.00 C ATOM 835 C MET A 76 10.006 -1.618 2.504 1.00 0.00 C ATOM 836 O MET A 76 11.093 -2.193 2.551 1.00 0.00 O ATOM 837 CB MET A 76 9.008 -3.365 1.017 1.00 0.00 C ATOM 838 CG MET A 76 7.883 -3.760 0.074 1.00 0.00 C ATOM 839 SD MET A 76 7.582 -5.537 0.055 1.00 0.00 S ATOM 840 CE MET A 76 6.779 -5.760 1.641 1.00 0.00 C ATOM 0 H MET A 76 10.310 -1.146 -0.102 1.00 0.00 H new ATOM 0 HA MET A 76 8.020 -1.590 1.717 1.00 0.00 H new ATOM 0 HB2 MET A 76 9.963 -3.624 0.559 1.00 0.00 H new ATOM 0 HB3 MET A 76 8.925 -3.950 1.933 1.00 0.00 H new ATOM 0 HG2 MET A 76 6.969 -3.244 0.369 1.00 0.00 H new ATOM 0 HG3 MET A 76 8.126 -3.426 -0.935 1.00 0.00 H new ATOM 0 HE1 MET A 76 7.315 -6.514 2.218 1.00 0.00 H new ATOM 0 HE2 MET A 76 6.782 -4.816 2.186 1.00 0.00 H new ATOM 0 HE3 MET A 76 5.751 -6.086 1.485 1.00 0.00 H new ATOM 850 N PRO A 77 9.625 -0.732 3.436 1.00 0.00 N ATOM 851 CA PRO A 77 10.467 -0.376 4.581 1.00 0.00 C ATOM 852 C PRO A 77 10.598 -1.520 5.582 1.00 0.00 C ATOM 853 O PRO A 77 9.620 -2.171 5.948 1.00 0.00 O ATOM 854 CB PRO A 77 9.727 0.805 5.213 1.00 0.00 C ATOM 855 CG PRO A 77 8.305 0.621 4.808 1.00 0.00 C ATOM 856 CD PRO A 77 8.343 -0.009 3.443 1.00 0.00 C ATOM 0 HA PRO A 77 11.488 -0.144 4.279 1.00 0.00 H new ATOM 0 HB2 PRO A 77 9.833 0.804 6.298 1.00 0.00 H new ATOM 0 HB3 PRO A 77 10.121 1.756 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 77 7.776 -0.016 5.517 1.00 0.00 H new ATOM 0 HG3 PRO A 77 7.779 1.576 4.783 1.00 0.00 H new ATOM 0 HD2 PRO A 77 7.501 -0.683 3.288 1.00 0.00 H new ATOM 0 HD3 PRO A 77 8.300 0.741 2.653 1.00 0.00 H new ATOM 864 N PRO A 78 11.835 -1.770 6.036 1.00 0.00 N ATOM 865 CA PRO A 78 12.123 -2.836 7.001 1.00 0.00 C ATOM 866 C PRO A 78 11.570 -2.525 8.388 1.00 0.00 C ATOM 867 O PRO A 78 11.607 -1.382 8.841 1.00 0.00 O ATOM 868 CB PRO A 78 13.652 -2.881 7.034 1.00 0.00 C ATOM 869 CG PRO A 78 14.081 -1.515 6.624 1.00 0.00 C ATOM 870 CD PRO A 78 13.048 -1.033 5.644 1.00 0.00 C ATOM 0 HA PRO A 78 11.661 -3.781 6.715 1.00 0.00 H new ATOM 0 HB2 PRO A 78 14.019 -3.129 8.030 1.00 0.00 H new ATOM 0 HB3 PRO A 78 14.040 -3.639 6.353 1.00 0.00 H new ATOM 0 HG2 PRO A 78 14.142 -0.850 7.486 1.00 0.00 H new ATOM 0 HG3 PRO A 78 15.071 -1.537 6.168 1.00 0.00 H new ATOM 0 HD2 PRO A 78 12.902 0.045 5.711 1.00 0.00 H new ATOM 0 HD3 PRO A 78 13.337 -1.252 4.616 1.00 0.00 H new ATOM 878 N ASN A 79 11.059 -3.552 9.060 1.00 0.00 N ATOM 879 CA ASN A 79 10.498 -3.389 10.396 1.00 0.00 C ATOM 880 C ASN A 79 9.313 -2.427 10.375 1.00 0.00 C ATOM 881 O ASN A 79 9.099 -1.668 11.320 1.00 0.00 O ATOM 882 CB ASN A 79 11.568 -2.875 11.362 1.00 0.00 C ATOM 883 CG ASN A 79 12.731 -3.839 11.501 1.00 0.00 C ATOM 884 OD1 ASN A 79 13.890 -3.462 11.326 1.00 0.00 O ATOM 885 ND2 ASN A 79 12.425 -5.092 11.820 1.00 0.00 N ATOM 0 H ASN A 79 11.022 -4.506 8.701 1.00 0.00 H new ATOM 0 HA ASN A 79 10.147 -4.363 10.737 1.00 0.00 H new ATOM 0 HB2 ASN A 79 11.938 -1.912 11.011 1.00 0.00 H new ATOM 0 HB3 ASN A 79 11.119 -2.707 12.341 1.00 0.00 H new ATOM 0 HD21 ASN A 79 13.165 -5.786 11.929 1.00 0.00 H new ATOM 0 HD22 ASN A 79 11.450 -5.360 11.956 1.00 0.00 H new ATOM 892 N LYS A 80 8.546 -2.466 9.291 1.00 0.00 N ATOM 893 CA LYS A 80 7.382 -1.601 9.146 1.00 0.00 C ATOM 894 C LYS A 80 6.183 -2.385 8.622 1.00 0.00 C ATOM 895 O LYS A 80 6.238 -3.018 7.567 1.00 0.00 O ATOM 896 CB LYS A 80 7.698 -0.439 8.201 1.00 0.00 C ATOM 897 CG LYS A 80 8.625 0.601 8.805 1.00 0.00 C ATOM 898 CD LYS A 80 7.920 1.422 9.872 1.00 0.00 C ATOM 899 CE LYS A 80 8.897 1.918 10.928 1.00 0.00 C ATOM 900 NZ LYS A 80 8.224 2.761 11.954 1.00 0.00 N ATOM 0 H LYS A 80 8.710 -3.088 8.499 1.00 0.00 H new ATOM 0 HA LYS A 80 7.132 -1.203 10.130 1.00 0.00 H new ATOM 0 HB2 LYS A 80 8.152 -0.834 7.292 1.00 0.00 H new ATOM 0 HB3 LYS A 80 6.766 0.044 7.908 1.00 0.00 H new ATOM 0 HG2 LYS A 80 9.494 0.107 9.239 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.993 1.262 8.020 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.421 2.273 9.408 1.00 0.00 H new ATOM 0 HD3 LYS A 80 7.146 0.818 10.346 1.00 0.00 H new ATOM 0 HE2 LYS A 80 9.371 1.065 11.413 1.00 0.00 H new ATOM 0 HE3 LYS A 80 9.689 2.493 10.448 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 8.923 3.079 12.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.793 3.589 11.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 7.485 2.205 12.430 1.00 0.00 H new ATOM 914 N PRO A 81 5.073 -2.344 9.373 1.00 0.00 N ATOM 915 CA PRO A 81 3.839 -3.043 9.002 1.00 0.00 C ATOM 916 C PRO A 81 3.160 -2.417 7.788 1.00 0.00 C ATOM 917 O PRO A 81 2.181 -2.952 7.268 1.00 0.00 O ATOM 918 CB PRO A 81 2.958 -2.893 10.244 1.00 0.00 C ATOM 919 CG PRO A 81 3.458 -1.660 10.916 1.00 0.00 C ATOM 920 CD PRO A 81 4.936 -1.609 10.641 1.00 0.00 C ATOM 0 HA PRO A 81 4.027 -4.079 8.719 1.00 0.00 H new ATOM 0 HB2 PRO A 81 1.906 -2.798 9.974 1.00 0.00 H new ATOM 0 HB3 PRO A 81 3.043 -3.762 10.897 1.00 0.00 H new ATOM 0 HG2 PRO A 81 2.958 -0.773 10.527 1.00 0.00 H new ATOM 0 HG3 PRO A 81 3.261 -1.692 11.988 1.00 0.00 H new ATOM 0 HD2 PRO A 81 5.293 -0.583 10.551 1.00 0.00 H new ATOM 0 HD3 PRO A 81 5.510 -2.077 11.441 1.00 0.00 H new ATOM 928 N TYR A 82 3.686 -1.282 7.342 1.00 0.00 N ATOM 929 CA TYR A 82 3.129 -0.582 6.191 1.00 0.00 C ATOM 930 C TYR A 82 4.167 -0.449 5.080 1.00 0.00 C ATOM 931 O TYR A 82 5.370 -0.421 5.339 1.00 0.00 O ATOM 932 CB TYR A 82 2.626 0.802 6.603 1.00 0.00 C ATOM 933 CG TYR A 82 3.718 1.719 7.105 1.00 0.00 C ATOM 934 CD1 TYR A 82 4.564 2.374 6.219 1.00 0.00 C ATOM 935 CD2 TYR A 82 3.906 1.929 8.466 1.00 0.00 C ATOM 936 CE1 TYR A 82 5.565 3.212 6.672 1.00 0.00 C ATOM 937 CE2 TYR A 82 4.902 2.767 8.929 1.00 0.00 C ATOM 938 CZ TYR A 82 5.729 3.405 8.028 1.00 0.00 C ATOM 939 OH TYR A 82 6.724 4.239 8.485 1.00 0.00 O ATOM 0 H TYR A 82 4.498 -0.827 7.760 1.00 0.00 H new ATOM 0 HA TYR A 82 2.291 -1.167 5.813 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.135 1.269 5.750 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.872 0.688 7.382 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.437 2.226 5.157 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.262 1.428 9.174 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.215 3.712 5.969 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.032 2.922 9.990 1.00 0.00 H new ATOM 0 HH TYR A 82 6.724 4.241 9.465 1.00 0.00 H new ATOM 949 N SER A 83 3.691 -0.365 3.842 1.00 0.00 N ATOM 950 CA SER A 83 4.576 -0.236 2.690 1.00 0.00 C ATOM 951 C SER A 83 4.012 0.759 1.680 1.00 0.00 C ATOM 952 O SER A 83 2.920 1.296 1.864 1.00 0.00 O ATOM 953 CB SER A 83 4.779 -1.598 2.022 1.00 0.00 C ATOM 954 OG SER A 83 5.592 -2.440 2.819 1.00 0.00 O ATOM 0 H SER A 83 2.698 -0.384 3.611 1.00 0.00 H new ATOM 0 HA SER A 83 5.538 0.136 3.042 1.00 0.00 H new ATOM 0 HB2 SER A 83 3.812 -2.073 1.855 1.00 0.00 H new ATOM 0 HB3 SER A 83 5.240 -1.462 1.044 1.00 0.00 H new ATOM 0 HG SER A 83 5.822 -1.979 3.653 1.00 0.00 H new ATOM 960 N PHE A 84 4.767 1.000 0.613 1.00 0.00 N ATOM 961 CA PHE A 84 4.345 1.932 -0.427 1.00 0.00 C ATOM 962 C PHE A 84 4.551 1.329 -1.813 1.00 0.00 C ATOM 963 O PHE A 84 5.572 0.695 -2.080 1.00 0.00 O ATOM 964 CB PHE A 84 5.120 3.246 -0.309 1.00 0.00 C ATOM 965 CG PHE A 84 5.071 3.849 1.066 1.00 0.00 C ATOM 966 CD1 PHE A 84 3.963 4.569 1.482 1.00 0.00 C ATOM 967 CD2 PHE A 84 6.135 3.697 1.941 1.00 0.00 C ATOM 968 CE1 PHE A 84 3.916 5.124 2.747 1.00 0.00 C ATOM 969 CE2 PHE A 84 6.093 4.251 3.206 1.00 0.00 C ATOM 970 CZ PHE A 84 4.982 4.966 3.610 1.00 0.00 C ATOM 0 H PHE A 84 5.673 0.563 0.446 1.00 0.00 H new ATOM 0 HA PHE A 84 3.282 2.132 -0.292 1.00 0.00 H new ATOM 0 HB2 PHE A 84 6.160 3.071 -0.584 1.00 0.00 H new ATOM 0 HB3 PHE A 84 4.717 3.962 -1.026 1.00 0.00 H new ATOM 0 HD1 PHE A 84 3.127 4.698 0.811 1.00 0.00 H new ATOM 0 HD2 PHE A 84 7.006 3.139 1.631 1.00 0.00 H new ATOM 0 HE1 PHE A 84 3.045 5.681 3.060 1.00 0.00 H new ATOM 0 HE2 PHE A 84 6.928 4.125 3.879 1.00 0.00 H new ATOM 0 HZ PHE A 84 4.947 5.400 4.598 1.00 0.00 H new ATOM 980 N ALA A 85 3.574 1.531 -2.692 1.00 0.00 N ATOM 981 CA ALA A 85 3.648 1.010 -4.050 1.00 0.00 C ATOM 982 C ALA A 85 3.469 2.124 -5.076 1.00 0.00 C ATOM 983 O ALA A 85 2.709 3.067 -4.856 1.00 0.00 O ATOM 984 CB ALA A 85 2.602 -0.076 -4.258 1.00 0.00 C ATOM 0 H ALA A 85 2.722 2.052 -2.486 1.00 0.00 H new ATOM 0 HA ALA A 85 4.638 0.576 -4.192 1.00 0.00 H new ATOM 0 HB1 ALA A 85 2.670 -0.456 -5.277 1.00 0.00 H new ATOM 0 HB2 ALA A 85 2.778 -0.890 -3.555 1.00 0.00 H new ATOM 0 HB3 ALA A 85 1.608 0.339 -4.091 1.00 0.00 H new ATOM 990 N ARG A 86 4.172 2.008 -6.198 1.00 0.00 N ATOM 991 CA ARG A 86 4.090 3.007 -7.257 1.00 0.00 C ATOM 992 C ARG A 86 3.679 2.366 -8.579 1.00 0.00 C ATOM 993 O ARG A 86 4.458 1.639 -9.197 1.00 0.00 O ATOM 994 CB ARG A 86 5.434 3.720 -7.420 1.00 0.00 C ATOM 995 CG ARG A 86 5.311 5.137 -7.953 1.00 0.00 C ATOM 996 CD ARG A 86 6.539 5.968 -7.616 1.00 0.00 C ATOM 997 NE ARG A 86 6.795 6.998 -8.620 1.00 0.00 N ATOM 998 CZ ARG A 86 5.995 8.038 -8.827 1.00 0.00 C ATOM 999 NH1 ARG A 86 4.894 8.185 -8.104 1.00 0.00 N ATOM 1000 NH2 ARG A 86 6.297 8.933 -9.758 1.00 0.00 N ATOM 0 H ARG A 86 4.804 1.233 -6.397 1.00 0.00 H new ATOM 0 HA ARG A 86 3.331 3.737 -6.975 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.941 3.747 -6.455 1.00 0.00 H new ATOM 0 HB3 ARG A 86 6.064 3.140 -8.095 1.00 0.00 H new ATOM 0 HG2 ARG A 86 5.175 5.110 -9.034 1.00 0.00 H new ATOM 0 HG3 ARG A 86 4.424 5.610 -7.532 1.00 0.00 H new ATOM 0 HD2 ARG A 86 6.403 6.437 -6.642 1.00 0.00 H new ATOM 0 HD3 ARG A 86 7.408 5.315 -7.537 1.00 0.00 H new ATOM 0 HE ARG A 86 7.634 6.914 -9.194 1.00 0.00 H new ATOM 0 HH11 ARG A 86 4.659 7.499 -7.387 1.00 0.00 H new ATOM 0 HH12 ARG A 86 4.281 8.984 -8.265 1.00 0.00 H new ATOM 0 HH21 ARG A 86 7.144 8.823 -10.316 1.00 0.00 H new ATOM 0 HH22 ARG A 86 5.682 9.731 -9.916 1.00 0.00 H new ATOM 1014 N TYR A 87 2.451 2.637 -9.006 1.00 0.00 N ATOM 1015 CA TYR A 87 1.935 2.084 -10.253 1.00 0.00 C ATOM 1016 C TYR A 87 2.441 2.880 -11.452 1.00 0.00 C ATOM 1017 O TYR A 87 2.941 3.995 -11.305 1.00 0.00 O ATOM 1018 CB TYR A 87 0.406 2.079 -10.238 1.00 0.00 C ATOM 1019 CG TYR A 87 -0.188 0.936 -9.448 1.00 0.00 C ATOM 1020 CD1 TYR A 87 -0.418 1.056 -8.083 1.00 0.00 C ATOM 1021 CD2 TYR A 87 -0.518 -0.265 -10.064 1.00 0.00 C ATOM 1022 CE1 TYR A 87 -0.960 0.014 -7.355 1.00 0.00 C ATOM 1023 CE2 TYR A 87 -1.062 -1.312 -9.346 1.00 0.00 C ATOM 1024 CZ TYR A 87 -1.281 -1.168 -7.992 1.00 0.00 C ATOM 1025 OH TYR A 87 -1.821 -2.209 -7.271 1.00 0.00 O ATOM 0 H TYR A 87 1.794 3.237 -8.507 1.00 0.00 H new ATOM 0 HA TYR A 87 2.294 1.059 -10.343 1.00 0.00 H new ATOM 0 HB2 TYR A 87 0.052 3.021 -9.820 1.00 0.00 H new ATOM 0 HB3 TYR A 87 0.041 2.029 -11.264 1.00 0.00 H new ATOM 0 HD1 TYR A 87 -0.169 1.980 -7.582 1.00 0.00 H new ATOM 0 HD2 TYR A 87 -0.346 -0.382 -11.124 1.00 0.00 H new ATOM 0 HE1 TYR A 87 -1.131 0.124 -6.294 1.00 0.00 H new ATOM 0 HE2 TYR A 87 -1.314 -2.238 -9.842 1.00 0.00 H new ATOM 0 HH TYR A 87 -1.990 -2.967 -7.868 1.00 0.00 H new ATOM 1035 N ARG A 88 2.307 2.297 -12.639 1.00 0.00 N ATOM 1036 CA ARG A 88 2.750 2.951 -13.865 1.00 0.00 C ATOM 1037 C ARG A 88 1.688 3.917 -14.381 1.00 0.00 C ATOM 1038 O ARG A 88 2.003 4.907 -15.042 1.00 0.00 O ATOM 1039 CB ARG A 88 3.069 1.907 -14.937 1.00 0.00 C ATOM 1040 CG ARG A 88 3.381 2.509 -16.299 1.00 0.00 C ATOM 1041 CD ARG A 88 4.851 2.879 -16.420 1.00 0.00 C ATOM 1042 NE ARG A 88 5.125 3.638 -17.637 1.00 0.00 N ATOM 1043 CZ ARG A 88 5.103 3.107 -18.855 1.00 0.00 C ATOM 1044 NH1 ARG A 88 4.819 1.821 -19.016 1.00 0.00 N ATOM 1045 NH2 ARG A 88 5.363 3.862 -19.914 1.00 0.00 N ATOM 0 H ARG A 88 1.896 1.374 -12.778 1.00 0.00 H new ATOM 0 HA ARG A 88 3.653 3.519 -13.639 1.00 0.00 H new ATOM 0 HB2 ARG A 88 3.920 1.310 -14.609 1.00 0.00 H new ATOM 0 HB3 ARG A 88 2.222 1.228 -15.035 1.00 0.00 H new ATOM 0 HG2 ARG A 88 3.118 1.797 -17.082 1.00 0.00 H new ATOM 0 HG3 ARG A 88 2.767 3.396 -16.455 1.00 0.00 H new ATOM 0 HD2 ARG A 88 5.150 3.466 -15.552 1.00 0.00 H new ATOM 0 HD3 ARG A 88 5.455 1.972 -16.415 1.00 0.00 H new ATOM 0 HE ARG A 88 5.345 4.630 -17.547 1.00 0.00 H new ATOM 0 HH11 ARG A 88 4.617 1.238 -18.204 1.00 0.00 H new ATOM 0 HH12 ARG A 88 4.803 1.416 -19.952 1.00 0.00 H new ATOM 0 HH21 ARG A 88 5.580 4.851 -19.794 1.00 0.00 H new ATOM 0 HH22 ARG A 88 5.346 3.453 -20.848 1.00 0.00 H new ATOM 1059 N THR A 89 0.428 3.623 -14.074 1.00 0.00 N ATOM 1060 CA THR A 89 -0.680 4.465 -14.508 1.00 0.00 C ATOM 1061 C THR A 89 -1.688 4.669 -13.383 1.00 0.00 C ATOM 1062 O THR A 89 -2.063 3.722 -12.691 1.00 0.00 O ATOM 1063 CB THR A 89 -1.403 3.857 -15.725 1.00 0.00 C ATOM 1064 OG1 THR A 89 -1.796 2.511 -15.440 1.00 0.00 O ATOM 1065 CG2 THR A 89 -0.506 3.881 -16.953 1.00 0.00 C ATOM 0 H THR A 89 0.150 2.808 -13.527 1.00 0.00 H new ATOM 0 HA THR A 89 -0.254 5.428 -14.790 1.00 0.00 H new ATOM 0 HB THR A 89 -2.290 4.456 -15.930 1.00 0.00 H new ATOM 0 HG1 THR A 89 -2.256 2.133 -16.218 1.00 0.00 H new ATOM 0 HG21 THR A 89 -1.037 3.447 -17.800 1.00 0.00 H new ATOM 0 HG22 THR A 89 -0.234 4.911 -17.185 1.00 0.00 H new ATOM 0 HG23 THR A 89 0.397 3.303 -16.756 1.00 0.00 H new ATOM 1073 N THR A 90 -2.123 5.912 -13.203 1.00 0.00 N ATOM 1074 CA THR A 90 -3.087 6.241 -12.161 1.00 0.00 C ATOM 1075 C THR A 90 -4.261 5.268 -12.170 1.00 0.00 C ATOM 1076 O THR A 90 -4.627 4.714 -11.134 1.00 0.00 O ATOM 1077 CB THR A 90 -3.624 7.676 -12.325 1.00 0.00 C ATOM 1078 OG1 THR A 90 -2.582 8.538 -12.795 1.00 0.00 O ATOM 1079 CG2 THR A 90 -4.169 8.204 -11.005 1.00 0.00 C ATOM 0 H THR A 90 -1.823 6.708 -13.766 1.00 0.00 H new ATOM 0 HA THR A 90 -2.561 6.164 -11.209 1.00 0.00 H new ATOM 0 HB THR A 90 -4.435 7.656 -13.053 1.00 0.00 H new ATOM 0 HG1 THR A 90 -2.932 9.448 -12.898 1.00 0.00 H new ATOM 0 HG21 THR A 90 -4.542 9.218 -11.145 1.00 0.00 H new ATOM 0 HG22 THR A 90 -4.981 7.562 -10.664 1.00 0.00 H new ATOM 0 HG23 THR A 90 -3.374 8.210 -10.259 1.00 0.00 H new ATOM 1087 N GLU A 91 -4.845 5.064 -13.347 1.00 0.00 N ATOM 1088 CA GLU A 91 -5.978 4.156 -13.490 1.00 0.00 C ATOM 1089 C GLU A 91 -5.749 2.872 -12.697 1.00 0.00 C ATOM 1090 O GLU A 91 -6.648 2.386 -12.012 1.00 0.00 O ATOM 1091 CB GLU A 91 -6.211 3.824 -14.965 1.00 0.00 C ATOM 1092 CG GLU A 91 -5.165 2.891 -15.551 1.00 0.00 C ATOM 1093 CD GLU A 91 -5.417 2.575 -17.012 1.00 0.00 C ATOM 1094 OE1 GLU A 91 -6.479 1.994 -17.319 1.00 0.00 O ATOM 1095 OE2 GLU A 91 -4.554 2.912 -17.849 1.00 0.00 O ATOM 0 H GLU A 91 -4.553 5.514 -14.214 1.00 0.00 H new ATOM 0 HA GLU A 91 -6.863 4.654 -13.094 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -7.195 3.368 -15.075 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -6.223 4.750 -15.540 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -4.180 3.345 -15.446 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -5.151 1.963 -14.980 1.00 0.00 H new ATOM 1102 N GLU A 92 -4.540 2.329 -12.798 1.00 0.00 N ATOM 1103 CA GLU A 92 -4.194 1.101 -12.092 1.00 0.00 C ATOM 1104 C GLU A 92 -4.237 1.311 -10.581 1.00 0.00 C ATOM 1105 O GLU A 92 -4.942 0.601 -9.864 1.00 0.00 O ATOM 1106 CB GLU A 92 -2.803 0.620 -12.511 1.00 0.00 C ATOM 1107 CG GLU A 92 -2.729 0.159 -13.957 1.00 0.00 C ATOM 1108 CD GLU A 92 -1.308 0.108 -14.481 1.00 0.00 C ATOM 1109 OE1 GLU A 92 -0.397 0.590 -13.776 1.00 0.00 O ATOM 1110 OE2 GLU A 92 -1.105 -0.414 -15.598 1.00 0.00 O ATOM 0 H GLU A 92 -3.785 2.720 -13.361 1.00 0.00 H new ATOM 0 HA GLU A 92 -4.929 0.341 -12.357 1.00 0.00 H new ATOM 0 HB2 GLU A 92 -2.087 1.428 -12.359 1.00 0.00 H new ATOM 0 HB3 GLU A 92 -2.500 -0.201 -11.861 1.00 0.00 H new ATOM 0 HG2 GLU A 92 -3.179 -0.830 -14.043 1.00 0.00 H new ATOM 0 HG3 GLU A 92 -3.318 0.832 -14.580 1.00 0.00 H new ATOM 1117 N SER A 93 -3.476 2.292 -10.104 1.00 0.00 N ATOM 1118 CA SER A 93 -3.424 2.594 -8.678 1.00 0.00 C ATOM 1119 C SER A 93 -4.822 2.582 -8.068 1.00 0.00 C ATOM 1120 O SER A 93 -5.069 1.915 -7.063 1.00 0.00 O ATOM 1121 CB SER A 93 -2.765 3.955 -8.447 1.00 0.00 C ATOM 1122 OG SER A 93 -3.124 4.488 -7.183 1.00 0.00 O ATOM 0 H SER A 93 -2.888 2.890 -10.684 1.00 0.00 H new ATOM 0 HA SER A 93 -2.828 1.823 -8.190 1.00 0.00 H new ATOM 0 HB2 SER A 93 -1.681 3.853 -8.508 1.00 0.00 H new ATOM 0 HB3 SER A 93 -3.065 4.646 -9.235 1.00 0.00 H new ATOM 0 HG SER A 93 -2.566 5.269 -6.987 1.00 0.00 H new ATOM 1128 N LYS A 94 -5.736 3.325 -8.684 1.00 0.00 N ATOM 1129 CA LYS A 94 -7.109 3.401 -8.205 1.00 0.00 C ATOM 1130 C LYS A 94 -7.754 2.019 -8.176 1.00 0.00 C ATOM 1131 O LYS A 94 -8.320 1.607 -7.163 1.00 0.00 O ATOM 1132 CB LYS A 94 -7.930 4.339 -9.093 1.00 0.00 C ATOM 1133 CG LYS A 94 -7.663 5.812 -8.833 1.00 0.00 C ATOM 1134 CD LYS A 94 -7.859 6.644 -10.088 1.00 0.00 C ATOM 1135 CE LYS A 94 -9.329 6.950 -10.330 1.00 0.00 C ATOM 1136 NZ LYS A 94 -9.511 8.154 -11.187 1.00 0.00 N ATOM 0 H LYS A 94 -5.549 3.883 -9.517 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.090 3.795 -7.189 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.713 4.118 -10.138 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -8.990 4.138 -8.938 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -8.330 6.171 -8.050 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.644 5.939 -8.467 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -7.302 7.577 -9.998 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.451 6.111 -10.947 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -9.805 6.092 -10.804 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -9.830 7.105 -9.374 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -10.526 8.329 -11.328 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -9.079 8.979 -10.724 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -9.055 7.996 -12.108 1.00 0.00 H new ATOM 1150 N ARG A 95 -7.662 1.305 -9.294 1.00 0.00 N ATOM 1151 CA ARG A 95 -8.236 -0.032 -9.396 1.00 0.00 C ATOM 1152 C ARG A 95 -7.810 -0.898 -8.214 1.00 0.00 C ATOM 1153 O ARG A 95 -8.633 -1.580 -7.605 1.00 0.00 O ATOM 1154 CB ARG A 95 -7.807 -0.693 -10.708 1.00 0.00 C ATOM 1155 CG ARG A 95 -8.119 -2.180 -10.768 1.00 0.00 C ATOM 1156 CD ARG A 95 -7.244 -2.891 -11.790 1.00 0.00 C ATOM 1157 NE ARG A 95 -7.860 -2.916 -13.114 1.00 0.00 N ATOM 1158 CZ ARG A 95 -7.808 -1.899 -13.967 1.00 0.00 C ATOM 1159 NH1 ARG A 95 -7.174 -0.783 -13.637 1.00 0.00 N ATOM 1160 NH2 ARG A 95 -8.393 -1.997 -15.155 1.00 0.00 N ATOM 0 H ARG A 95 -7.196 1.630 -10.141 1.00 0.00 H new ATOM 0 HA ARG A 95 -9.322 0.062 -9.381 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -8.305 -0.192 -11.538 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -6.735 -0.549 -10.845 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -7.967 -2.625 -9.785 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -9.169 -2.323 -11.024 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -6.277 -2.392 -11.849 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -7.056 -3.912 -11.458 1.00 0.00 H new ATOM 0 HE ARG A 95 -8.357 -3.760 -13.399 1.00 0.00 H new ATOM 0 HH11 ARG A 95 -6.724 -0.703 -12.725 1.00 0.00 H new ATOM 0 HH12 ARG A 95 -7.136 -0.004 -14.295 1.00 0.00 H new ATOM 0 HH21 ARG A 95 -8.883 -2.854 -15.413 1.00 0.00 H new ATOM 0 HH22 ARG A 95 -8.353 -1.216 -15.809 1.00 0.00 H new ATOM 1174 N ALA A 96 -6.520 -0.864 -7.897 1.00 0.00 N ATOM 1175 CA ALA A 96 -5.986 -1.644 -6.787 1.00 0.00 C ATOM 1176 C ALA A 96 -6.428 -1.067 -5.447 1.00 0.00 C ATOM 1177 O ALA A 96 -6.652 -1.803 -4.486 1.00 0.00 O ATOM 1178 CB ALA A 96 -4.468 -1.702 -6.864 1.00 0.00 C ATOM 0 H ALA A 96 -5.826 -0.305 -8.393 1.00 0.00 H new ATOM 0 HA ALA A 96 -6.381 -2.657 -6.865 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -4.083 -2.288 -6.029 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -4.169 -2.169 -7.803 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -4.062 -0.691 -6.816 1.00 0.00 H new ATOM 1184 N TYR A 97 -6.552 0.254 -5.390 1.00 0.00 N ATOM 1185 CA TYR A 97 -6.964 0.931 -4.166 1.00 0.00 C ATOM 1186 C TYR A 97 -8.378 0.520 -3.766 1.00 0.00 C ATOM 1187 O TYR A 97 -8.682 0.366 -2.583 1.00 0.00 O ATOM 1188 CB TYR A 97 -6.894 2.448 -4.348 1.00 0.00 C ATOM 1189 CG TYR A 97 -7.691 3.220 -3.321 1.00 0.00 C ATOM 1190 CD1 TYR A 97 -7.202 3.411 -2.034 1.00 0.00 C ATOM 1191 CD2 TYR A 97 -8.933 3.756 -3.637 1.00 0.00 C ATOM 1192 CE1 TYR A 97 -7.927 4.115 -1.093 1.00 0.00 C ATOM 1193 CE2 TYR A 97 -9.665 4.462 -2.701 1.00 0.00 C ATOM 1194 CZ TYR A 97 -9.159 4.639 -1.431 1.00 0.00 C ATOM 1195 OH TYR A 97 -9.884 5.341 -0.495 1.00 0.00 O ATOM 0 H TYR A 97 -6.373 0.878 -6.177 1.00 0.00 H new ATOM 0 HA TYR A 97 -6.280 0.636 -3.370 1.00 0.00 H new ATOM 0 HB2 TYR A 97 -5.852 2.763 -4.298 1.00 0.00 H new ATOM 0 HB3 TYR A 97 -7.257 2.703 -5.344 1.00 0.00 H new ATOM 0 HD1 TYR A 97 -6.239 3.002 -1.766 1.00 0.00 H new ATOM 0 HD2 TYR A 97 -9.333 3.619 -4.631 1.00 0.00 H new ATOM 0 HE1 TYR A 97 -7.532 4.255 -0.097 1.00 0.00 H new ATOM 0 HE2 TYR A 97 -10.629 4.873 -2.963 1.00 0.00 H new ATOM 0 HH TYR A 97 -10.727 5.643 -0.893 1.00 0.00 H new ATOM 1205 N VAL A 98 -9.239 0.344 -4.763 1.00 0.00 N ATOM 1206 CA VAL A 98 -10.622 -0.050 -4.517 1.00 0.00 C ATOM 1207 C VAL A 98 -10.767 -1.568 -4.508 1.00 0.00 C ATOM 1208 O VAL A 98 -11.731 -2.107 -3.965 1.00 0.00 O ATOM 1209 CB VAL A 98 -11.570 0.539 -5.579 1.00 0.00 C ATOM 1210 CG1 VAL A 98 -13.020 0.367 -5.153 1.00 0.00 C ATOM 1211 CG2 VAL A 98 -11.249 2.004 -5.825 1.00 0.00 C ATOM 0 H VAL A 98 -9.004 0.468 -5.748 1.00 0.00 H new ATOM 0 HA VAL A 98 -10.895 0.344 -3.538 1.00 0.00 H new ATOM 0 HB VAL A 98 -11.423 -0.003 -6.513 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -13.676 0.789 -5.915 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -13.240 -0.694 -5.031 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -13.185 0.882 -4.207 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -11.928 2.404 -6.578 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -11.367 2.563 -4.897 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -10.222 2.097 -6.177 1.00 0.00 H new ATOM 1221 N THR A 99 -9.801 -2.253 -5.113 1.00 0.00 N ATOM 1222 CA THR A 99 -9.822 -3.709 -5.175 1.00 0.00 C ATOM 1223 C THR A 99 -9.029 -4.319 -4.024 1.00 0.00 C ATOM 1224 O THR A 99 -9.581 -5.037 -3.188 1.00 0.00 O ATOM 1225 CB THR A 99 -9.245 -4.222 -6.508 1.00 0.00 C ATOM 1226 OG1 THR A 99 -10.077 -3.804 -7.595 1.00 0.00 O ATOM 1227 CG2 THR A 99 -9.135 -5.739 -6.502 1.00 0.00 C ATOM 0 H THR A 99 -8.995 -1.823 -5.567 1.00 0.00 H new ATOM 0 HA THR A 99 -10.865 -4.014 -5.097 1.00 0.00 H new ATOM 0 HB THR A 99 -8.247 -3.801 -6.632 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.801 -2.913 -7.894 1.00 0.00 H new ATOM 0 HG21 THR A 99 -8.725 -6.078 -7.453 1.00 0.00 H new ATOM 0 HG22 THR A 99 -8.477 -6.053 -5.691 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.123 -6.175 -6.357 1.00 0.00 H new ATOM 1235 N LEU A 100 -7.733 -4.030 -3.985 1.00 0.00 N ATOM 1236 CA LEU A 100 -6.865 -4.550 -2.935 1.00 0.00 C ATOM 1237 C LEU A 100 -7.378 -4.148 -1.555 1.00 0.00 C ATOM 1238 O LEU A 100 -7.511 -4.986 -0.665 1.00 0.00 O ATOM 1239 CB LEU A 100 -5.435 -4.040 -3.128 1.00 0.00 C ATOM 1240 CG LEU A 100 -4.837 -4.233 -4.522 1.00 0.00 C ATOM 1241 CD1 LEU A 100 -3.369 -3.838 -4.532 1.00 0.00 C ATOM 1242 CD2 LEU A 100 -5.008 -5.673 -4.982 1.00 0.00 C ATOM 0 H LEU A 100 -7.260 -3.438 -4.668 1.00 0.00 H new ATOM 0 HA LEU A 100 -6.868 -5.638 -3.001 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -5.414 -2.977 -2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -4.791 -4.541 -2.405 1.00 0.00 H new ATOM 0 HG LEU A 100 -5.371 -3.586 -5.218 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -2.960 -3.982 -5.532 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -3.272 -2.790 -4.248 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -2.820 -4.458 -3.823 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -4.576 -5.791 -5.976 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -4.501 -6.340 -4.285 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -6.069 -5.921 -5.015 1.00 0.00 H new ATOM 1254 N ASN A 101 -7.665 -2.861 -1.388 1.00 0.00 N ATOM 1255 CA ASN A 101 -8.165 -2.349 -0.118 1.00 0.00 C ATOM 1256 C ASN A 101 -9.359 -3.165 0.366 1.00 0.00 C ATOM 1257 O ASN A 101 -10.340 -3.338 -0.356 1.00 0.00 O ATOM 1258 CB ASN A 101 -8.562 -0.878 -0.258 1.00 0.00 C ATOM 1259 CG ASN A 101 -8.870 -0.232 1.079 1.00 0.00 C ATOM 1260 OD1 ASN A 101 -9.318 -0.897 2.013 1.00 0.00 O ATOM 1261 ND2 ASN A 101 -8.630 1.071 1.175 1.00 0.00 N ATOM 0 H ASN A 101 -7.560 -2.154 -2.116 1.00 0.00 H new ATOM 0 HA ASN A 101 -7.366 -2.435 0.619 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.754 -0.331 -0.745 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -9.435 -0.800 -0.906 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -8.817 1.561 2.050 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -8.258 1.581 0.374 1.00 0.00 H new ATOM 1268 N GLY A 102 -9.270 -3.665 1.595 1.00 0.00 N ATOM 1269 CA GLY A 102 -10.350 -4.456 2.155 1.00 0.00 C ATOM 1270 C GLY A 102 -10.253 -5.921 1.774 1.00 0.00 C ATOM 1271 O GLY A 102 -10.944 -6.766 2.344 1.00 0.00 O ATOM 0 H GLY A 102 -8.469 -3.536 2.213 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -10.338 -4.365 3.241 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -11.305 -4.057 1.812 1.00 0.00 H new ATOM 1275 N LYS A 103 -9.394 -6.223 0.806 1.00 0.00 N ATOM 1276 CA LYS A 103 -9.209 -7.595 0.348 1.00 0.00 C ATOM 1277 C LYS A 103 -8.442 -8.414 1.382 1.00 0.00 C ATOM 1278 O LYS A 103 -7.720 -7.863 2.213 1.00 0.00 O ATOM 1279 CB LYS A 103 -8.461 -7.613 -0.987 1.00 0.00 C ATOM 1280 CG LYS A 103 -8.496 -8.961 -1.686 1.00 0.00 C ATOM 1281 CD LYS A 103 -7.755 -8.920 -3.011 1.00 0.00 C ATOM 1282 CE LYS A 103 -7.287 -10.305 -3.430 1.00 0.00 C ATOM 1283 NZ LYS A 103 -8.316 -11.020 -4.235 1.00 0.00 N ATOM 0 H LYS A 103 -8.815 -5.536 0.323 1.00 0.00 H new ATOM 0 HA LYS A 103 -10.194 -8.042 0.212 1.00 0.00 H new ATOM 0 HB2 LYS A 103 -8.893 -6.860 -1.646 1.00 0.00 H new ATOM 0 HB3 LYS A 103 -7.423 -7.329 -0.816 1.00 0.00 H new ATOM 0 HG2 LYS A 103 -8.049 -9.718 -1.041 1.00 0.00 H new ATOM 0 HG3 LYS A 103 -9.531 -9.257 -1.856 1.00 0.00 H new ATOM 0 HD2 LYS A 103 -8.406 -8.506 -3.781 1.00 0.00 H new ATOM 0 HD3 LYS A 103 -6.896 -8.254 -2.929 1.00 0.00 H new ATOM 0 HE2 LYS A 103 -6.369 -10.217 -4.010 1.00 0.00 H new ATOM 0 HE3 LYS A 103 -7.049 -10.891 -2.543 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 -7.958 -11.960 -4.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 -9.184 -11.127 -3.673 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 -8.525 -10.474 -5.095 1.00 0.00 H new ATOM 1297 N GLU A 104 -8.603 -9.733 1.324 1.00 0.00 N ATOM 1298 CA GLU A 104 -7.926 -10.627 2.255 1.00 0.00 C ATOM 1299 C GLU A 104 -6.812 -11.399 1.555 1.00 0.00 C ATOM 1300 O GLU A 104 -6.987 -11.890 0.439 1.00 0.00 O ATOM 1301 CB GLU A 104 -8.926 -11.604 2.877 1.00 0.00 C ATOM 1302 CG GLU A 104 -9.557 -11.093 4.161 1.00 0.00 C ATOM 1303 CD GLU A 104 -9.995 -12.215 5.084 1.00 0.00 C ATOM 1304 OE1 GLU A 104 -10.601 -13.188 4.589 1.00 0.00 O ATOM 1305 OE2 GLU A 104 -9.730 -12.118 6.300 1.00 0.00 O ATOM 0 H GLU A 104 -9.196 -10.205 0.642 1.00 0.00 H new ATOM 0 HA GLU A 104 -7.483 -10.020 3.045 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -9.714 -11.814 2.154 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -8.420 -12.548 3.081 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -8.843 -10.456 4.683 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -10.419 -10.472 3.916 1.00 0.00 H new ATOM 1312 N VAL A 105 -5.665 -11.503 2.217 1.00 0.00 N ATOM 1313 CA VAL A 105 -4.522 -12.216 1.660 1.00 0.00 C ATOM 1314 C VAL A 105 -3.884 -13.130 2.700 1.00 0.00 C ATOM 1315 O VAL A 105 -3.861 -12.816 3.890 1.00 0.00 O ATOM 1316 CB VAL A 105 -3.455 -11.238 1.129 1.00 0.00 C ATOM 1317 CG1 VAL A 105 -4.011 -10.416 -0.023 1.00 0.00 C ATOM 1318 CG2 VAL A 105 -2.957 -10.336 2.248 1.00 0.00 C ATOM 0 H VAL A 105 -5.502 -11.102 3.141 1.00 0.00 H new ATOM 0 HA VAL A 105 -4.897 -12.818 0.833 1.00 0.00 H new ATOM 0 HB VAL A 105 -2.610 -11.816 0.756 1.00 0.00 H new ATOM 0 HG11 VAL A 105 -3.244 -9.731 -0.385 1.00 0.00 H new ATOM 0 HG12 VAL A 105 -4.314 -11.081 -0.831 1.00 0.00 H new ATOM 0 HG13 VAL A 105 -4.874 -9.845 0.320 1.00 0.00 H new ATOM 0 HG21 VAL A 105 -2.204 -9.652 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 105 -3.792 -9.764 2.653 1.00 0.00 H new ATOM 0 HG23 VAL A 105 -2.517 -10.945 3.038 1.00 0.00 H new ATOM 1328 N VAL A 106 -3.366 -14.265 2.243 1.00 0.00 N ATOM 1329 CA VAL A 106 -2.725 -15.227 3.132 1.00 0.00 C ATOM 1330 C VAL A 106 -1.243 -14.914 3.304 1.00 0.00 C ATOM 1331 O VAL A 106 -0.448 -15.098 2.381 1.00 0.00 O ATOM 1332 CB VAL A 106 -2.878 -16.667 2.607 1.00 0.00 C ATOM 1333 CG1 VAL A 106 -1.912 -17.601 3.321 1.00 0.00 C ATOM 1334 CG2 VAL A 106 -4.313 -17.144 2.770 1.00 0.00 C ATOM 0 H VAL A 106 -3.378 -14.541 1.261 1.00 0.00 H new ATOM 0 HA VAL A 106 -3.224 -15.146 4.097 1.00 0.00 H new ATOM 0 HB VAL A 106 -2.636 -16.676 1.544 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -2.034 -18.614 2.937 1.00 0.00 H new ATOM 0 HG12 VAL A 106 -0.889 -17.268 3.147 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -2.120 -17.591 4.391 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -4.403 -18.163 2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -4.586 -17.121 3.825 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -4.980 -16.490 2.208 1.00 0.00 H new ATOM 1344 N ASP A 107 -0.877 -14.443 4.490 1.00 0.00 N ATOM 1345 CA ASP A 107 0.512 -14.106 4.784 1.00 0.00 C ATOM 1346 C ASP A 107 1.369 -15.364 4.875 1.00 0.00 C ATOM 1347 O ASP A 107 0.875 -16.478 4.692 1.00 0.00 O ATOM 1348 CB ASP A 107 0.602 -13.318 6.092 1.00 0.00 C ATOM 1349 CG ASP A 107 0.201 -14.147 7.296 1.00 0.00 C ATOM 1350 OD1 ASP A 107 -0.994 -14.490 7.409 1.00 0.00 O ATOM 1351 OD2 ASP A 107 1.083 -14.453 8.126 1.00 0.00 O ATOM 0 H ASP A 107 -1.522 -14.285 5.264 1.00 0.00 H new ATOM 0 HA ASP A 107 0.890 -13.488 3.969 1.00 0.00 H new ATOM 0 HB2 ASP A 107 1.622 -12.958 6.226 1.00 0.00 H new ATOM 0 HB3 ASP A 107 -0.041 -12.440 6.029 1.00 0.00 H new ATOM 1356 N ASP A 108 2.654 -15.180 5.155 1.00 0.00 N ATOM 1357 CA ASP A 108 3.580 -16.301 5.269 1.00 0.00 C ATOM 1358 C ASP A 108 3.083 -17.314 6.295 1.00 0.00 C ATOM 1359 O ASP A 108 3.242 -18.523 6.117 1.00 0.00 O ATOM 1360 CB ASP A 108 4.972 -15.802 5.659 1.00 0.00 C ATOM 1361 CG ASP A 108 6.065 -16.784 5.286 1.00 0.00 C ATOM 1362 OD1 ASP A 108 6.443 -16.827 4.097 1.00 0.00 O ATOM 1363 OD2 ASP A 108 6.542 -17.509 6.183 1.00 0.00 O ATOM 0 H ASP A 108 3.079 -14.265 5.307 1.00 0.00 H new ATOM 0 HA ASP A 108 3.638 -16.793 4.298 1.00 0.00 H new ATOM 0 HB2 ASP A 108 5.163 -14.847 5.169 1.00 0.00 H new ATOM 0 HB3 ASP A 108 5.002 -15.621 6.733 1.00 0.00 H new ATOM 1368 N LEU A 109 2.482 -16.815 7.369 1.00 0.00 N ATOM 1369 CA LEU A 109 1.962 -17.676 8.426 1.00 0.00 C ATOM 1370 C LEU A 109 0.838 -18.562 7.901 1.00 0.00 C ATOM 1371 O LEU A 109 0.642 -19.681 8.375 1.00 0.00 O ATOM 1372 CB LEU A 109 1.458 -16.832 9.598 1.00 0.00 C ATOM 1373 CG LEU A 109 2.451 -15.820 10.172 1.00 0.00 C ATOM 1374 CD1 LEU A 109 1.797 -14.997 11.271 1.00 0.00 C ATOM 1375 CD2 LEU A 109 3.690 -16.528 10.697 1.00 0.00 C ATOM 0 H LEU A 109 2.342 -15.818 7.531 1.00 0.00 H new ATOM 0 HA LEU A 109 2.773 -18.316 8.772 1.00 0.00 H new ATOM 0 HB2 LEU A 109 0.567 -16.294 9.275 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.152 -17.505 10.399 1.00 0.00 H new ATOM 0 HG LEU A 109 2.756 -15.144 9.373 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.518 -14.282 11.668 1.00 0.00 H new ATOM 0 HD12 LEU A 109 0.941 -14.460 10.863 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.463 -15.658 12.071 1.00 0.00 H new ATOM 0 HD21 LEU A 109 4.385 -15.793 11.102 1.00 0.00 H new ATOM 0 HD22 LEU A 109 3.404 -17.227 11.483 1.00 0.00 H new ATOM 0 HD23 LEU A 109 4.170 -17.072 9.884 1.00 0.00 H new ATOM 1387 N GLY A 110 0.101 -18.055 6.917 1.00 0.00 N ATOM 1388 CA GLY A 110 -0.994 -18.815 6.343 1.00 0.00 C ATOM 1389 C GLY A 110 -2.349 -18.319 6.806 1.00 0.00 C ATOM 1390 O GLY A 110 -3.354 -19.015 6.660 1.00 0.00 O ATOM 0 H GLY A 110 0.243 -17.132 6.507 1.00 0.00 H new ATOM 0 HA2 GLY A 110 -0.942 -18.757 5.256 1.00 0.00 H new ATOM 0 HA3 GLY A 110 -0.884 -19.865 6.612 1.00 0.00 H new ATOM 1394 N GLN A 111 -2.377 -17.115 7.367 1.00 0.00 N ATOM 1395 CA GLN A 111 -3.620 -16.528 7.856 1.00 0.00 C ATOM 1396 C GLN A 111 -4.101 -15.420 6.926 1.00 0.00 C ATOM 1397 O GLN A 111 -3.300 -14.756 6.265 1.00 0.00 O ATOM 1398 CB GLN A 111 -3.426 -15.977 9.269 1.00 0.00 C ATOM 1399 CG GLN A 111 -3.068 -17.041 10.294 1.00 0.00 C ATOM 1400 CD GLN A 111 -3.468 -16.652 11.704 1.00 0.00 C ATOM 1401 OE1 GLN A 111 -4.612 -16.851 12.114 1.00 0.00 O ATOM 1402 NE2 GLN A 111 -2.525 -16.094 12.454 1.00 0.00 N ATOM 0 H GLN A 111 -1.554 -16.526 7.495 1.00 0.00 H new ATOM 0 HA GLN A 111 -4.378 -17.311 7.880 1.00 0.00 H new ATOM 0 HB2 GLN A 111 -2.639 -15.223 9.251 1.00 0.00 H new ATOM 0 HB3 GLN A 111 -4.341 -15.475 9.583 1.00 0.00 H new ATOM 0 HG2 GLN A 111 -3.558 -17.977 10.027 1.00 0.00 H new ATOM 0 HG3 GLN A 111 -1.994 -17.223 10.263 1.00 0.00 H new ATOM 0 HE21 GLN A 111 -1.590 -15.948 12.073 1.00 0.00 H new ATOM 0 HE22 GLN A 111 -2.735 -15.811 13.411 1.00 0.00 H new ATOM 1411 N LYS A 112 -5.414 -15.223 6.878 1.00 0.00 N ATOM 1412 CA LYS A 112 -6.004 -14.193 6.029 1.00 0.00 C ATOM 1413 C LYS A 112 -5.977 -12.835 6.723 1.00 0.00 C ATOM 1414 O LYS A 112 -6.604 -12.649 7.766 1.00 0.00 O ATOM 1415 CB LYS A 112 -7.444 -14.565 5.668 1.00 0.00 C ATOM 1416 CG LYS A 112 -7.552 -15.801 4.791 1.00 0.00 C ATOM 1417 CD LYS A 112 -7.478 -15.446 3.315 1.00 0.00 C ATOM 1418 CE LYS A 112 -8.260 -16.434 2.464 1.00 0.00 C ATOM 1419 NZ LYS A 112 -7.576 -17.754 2.379 1.00 0.00 N ATOM 0 H LYS A 112 -6.091 -15.763 7.417 1.00 0.00 H new ATOM 0 HA LYS A 112 -5.412 -14.126 5.116 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -8.008 -14.731 6.586 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -7.910 -13.724 5.155 1.00 0.00 H new ATOM 0 HG2 LYS A 112 -6.750 -16.496 5.040 1.00 0.00 H new ATOM 0 HG3 LYS A 112 -8.492 -16.313 4.996 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -7.871 -14.441 3.161 1.00 0.00 H new ATOM 0 HD3 LYS A 112 -6.436 -15.433 2.995 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -9.256 -16.568 2.885 1.00 0.00 H new ATOM 0 HE3 LYS A 112 -8.390 -16.027 1.461 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -8.236 -18.463 2.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -6.751 -17.678 1.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -7.263 -18.044 3.327 1.00 0.00 H new ATOM 1433 N ILE A 113 -5.248 -11.891 6.137 1.00 0.00 N ATOM 1434 CA ILE A 113 -5.143 -10.550 6.698 1.00 0.00 C ATOM 1435 C ILE A 113 -5.768 -9.515 5.769 1.00 0.00 C ATOM 1436 O ILE A 113 -5.619 -9.587 4.549 1.00 0.00 O ATOM 1437 CB ILE A 113 -3.676 -10.165 6.963 1.00 0.00 C ATOM 1438 CG1 ILE A 113 -2.919 -11.346 7.575 1.00 0.00 C ATOM 1439 CG2 ILE A 113 -3.604 -8.952 7.880 1.00 0.00 C ATOM 1440 CD1 ILE A 113 -1.461 -11.053 7.848 1.00 0.00 C ATOM 0 H ILE A 113 -4.722 -12.030 5.274 1.00 0.00 H new ATOM 0 HA ILE A 113 -5.685 -10.560 7.644 1.00 0.00 H new ATOM 0 HB ILE A 113 -3.206 -9.908 6.014 1.00 0.00 H new ATOM 0 HG12 ILE A 113 -3.404 -11.634 8.508 1.00 0.00 H new ATOM 0 HG13 ILE A 113 -2.990 -12.200 6.902 1.00 0.00 H new ATOM 0 HG21 ILE A 113 -2.561 -8.692 8.058 1.00 0.00 H new ATOM 0 HG22 ILE A 113 -4.113 -8.110 7.410 1.00 0.00 H new ATOM 0 HG23 ILE A 113 -4.087 -9.184 8.829 1.00 0.00 H new ATOM 0 HD11 ILE A 113 -0.988 -11.934 8.281 1.00 0.00 H new ATOM 0 HD12 ILE A 113 -0.961 -10.794 6.915 1.00 0.00 H new ATOM 0 HD13 ILE A 113 -1.382 -10.219 8.545 1.00 0.00 H new ATOM 1452 N THR A 114 -6.468 -8.548 6.354 1.00 0.00 N ATOM 1453 CA THR A 114 -7.117 -7.497 5.580 1.00 0.00 C ATOM 1454 C THR A 114 -6.224 -6.266 5.471 1.00 0.00 C ATOM 1455 O THR A 114 -6.007 -5.556 6.453 1.00 0.00 O ATOM 1456 CB THR A 114 -8.463 -7.088 6.205 1.00 0.00 C ATOM 1457 OG1 THR A 114 -9.221 -8.255 6.542 1.00 0.00 O ATOM 1458 CG2 THR A 114 -9.262 -6.217 5.247 1.00 0.00 C ATOM 0 H THR A 114 -6.600 -8.471 7.362 1.00 0.00 H new ATOM 0 HA THR A 114 -7.297 -7.902 4.584 1.00 0.00 H new ATOM 0 HB THR A 114 -8.259 -6.514 7.109 1.00 0.00 H new ATOM 0 HG1 THR A 114 -10.075 -7.987 6.941 1.00 0.00 H new ATOM 0 HG21 THR A 114 -10.209 -5.940 5.710 1.00 0.00 H new ATOM 0 HG22 THR A 114 -8.695 -5.316 5.015 1.00 0.00 H new ATOM 0 HG23 THR A 114 -9.456 -6.770 4.328 1.00 0.00 H new ATOM 1466 N LEU A 115 -5.710 -6.018 4.272 1.00 0.00 N ATOM 1467 CA LEU A 115 -4.842 -4.871 4.034 1.00 0.00 C ATOM 1468 C LEU A 115 -5.641 -3.682 3.510 1.00 0.00 C ATOM 1469 O LEU A 115 -6.548 -3.843 2.694 1.00 0.00 O ATOM 1470 CB LEU A 115 -3.740 -5.238 3.038 1.00 0.00 C ATOM 1471 CG LEU A 115 -3.123 -6.628 3.201 1.00 0.00 C ATOM 1472 CD1 LEU A 115 -2.062 -6.869 2.139 1.00 0.00 C ATOM 1473 CD2 LEU A 115 -2.533 -6.790 4.594 1.00 0.00 C ATOM 0 H LEU A 115 -5.879 -6.596 3.449 1.00 0.00 H new ATOM 0 HA LEU A 115 -4.386 -4.589 4.983 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -4.148 -5.160 2.030 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -2.944 -4.498 3.118 1.00 0.00 H new ATOM 0 HG LEU A 115 -3.910 -7.371 3.073 1.00 0.00 H new ATOM 0 HD11 LEU A 115 -1.634 -7.863 2.271 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -2.514 -6.797 1.150 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -1.276 -6.120 2.234 1.00 0.00 H new ATOM 0 HD21 LEU A 115 -2.099 -7.785 4.692 1.00 0.00 H new ATOM 0 HD22 LEU A 115 -1.759 -6.039 4.751 1.00 0.00 H new ATOM 0 HD23 LEU A 115 -3.318 -6.662 5.339 1.00 0.00 H new ATOM 1485 N TYR A 116 -5.295 -2.490 3.982 1.00 0.00 N ATOM 1486 CA TYR A 116 -5.980 -1.274 3.562 1.00 0.00 C ATOM 1487 C TYR A 116 -5.042 -0.366 2.771 1.00 0.00 C ATOM 1488 O TYR A 116 -4.034 0.111 3.293 1.00 0.00 O ATOM 1489 CB TYR A 116 -6.527 -0.524 4.778 1.00 0.00 C ATOM 1490 CG TYR A 116 -7.813 -1.107 5.319 1.00 0.00 C ATOM 1491 CD1 TYR A 116 -7.795 -2.158 6.227 1.00 0.00 C ATOM 1492 CD2 TYR A 116 -9.047 -0.604 4.924 1.00 0.00 C ATOM 1493 CE1 TYR A 116 -8.968 -2.694 6.723 1.00 0.00 C ATOM 1494 CE2 TYR A 116 -10.225 -1.132 5.417 1.00 0.00 C ATOM 1495 CZ TYR A 116 -10.180 -2.177 6.316 1.00 0.00 C ATOM 1496 OH TYR A 116 -11.350 -2.707 6.809 1.00 0.00 O ATOM 0 H TYR A 116 -4.544 -2.340 4.656 1.00 0.00 H new ATOM 0 HA TYR A 116 -6.810 -1.561 2.917 1.00 0.00 H new ATOM 0 HB2 TYR A 116 -5.775 -0.530 5.567 1.00 0.00 H new ATOM 0 HB3 TYR A 116 -6.696 0.518 4.506 1.00 0.00 H new ATOM 0 HD1 TYR A 116 -6.848 -2.563 6.551 1.00 0.00 H new ATOM 0 HD2 TYR A 116 -9.086 0.214 4.220 1.00 0.00 H new ATOM 0 HE1 TYR A 116 -8.936 -3.513 7.426 1.00 0.00 H new ATOM 0 HE2 TYR A 116 -11.175 -0.729 5.100 1.00 0.00 H new ATOM 0 HH TYR A 116 -12.114 -2.229 6.423 1.00 0.00 H new ATOM 1506 N LEU A 117 -5.384 -0.130 1.509 1.00 0.00 N ATOM 1507 CA LEU A 117 -4.574 0.721 0.644 1.00 0.00 C ATOM 1508 C LEU A 117 -5.115 2.147 0.622 1.00 0.00 C ATOM 1509 O LEU A 117 -6.296 2.370 0.359 1.00 0.00 O ATOM 1510 CB LEU A 117 -4.541 0.154 -0.777 1.00 0.00 C ATOM 1511 CG LEU A 117 -3.583 -1.014 -1.011 1.00 0.00 C ATOM 1512 CD1 LEU A 117 -4.194 -2.314 -0.514 1.00 0.00 C ATOM 1513 CD2 LEU A 117 -3.225 -1.121 -2.487 1.00 0.00 C ATOM 0 H LEU A 117 -6.216 -0.516 1.062 1.00 0.00 H new ATOM 0 HA LEU A 117 -3.560 0.743 1.044 1.00 0.00 H new ATOM 0 HB2 LEU A 117 -5.548 -0.169 -1.041 1.00 0.00 H new ATOM 0 HB3 LEU A 117 -4.275 0.959 -1.462 1.00 0.00 H new ATOM 0 HG LEU A 117 -2.669 -0.828 -0.447 1.00 0.00 H new ATOM 0 HD11 LEU A 117 -3.497 -3.134 -0.689 1.00 0.00 H new ATOM 0 HD12 LEU A 117 -4.400 -2.235 0.553 1.00 0.00 H new ATOM 0 HD13 LEU A 117 -5.124 -2.507 -1.049 1.00 0.00 H new ATOM 0 HD21 LEU A 117 -2.542 -1.958 -2.636 1.00 0.00 H new ATOM 0 HD22 LEU A 117 -4.131 -1.284 -3.070 1.00 0.00 H new ATOM 0 HD23 LEU A 117 -2.745 -0.198 -2.813 1.00 0.00 H new ATOM 1525 N ASN A 118 -4.242 3.109 0.900 1.00 0.00 N ATOM 1526 CA ASN A 118 -4.632 4.515 0.911 1.00 0.00 C ATOM 1527 C ASN A 118 -3.844 5.306 -0.129 1.00 0.00 C ATOM 1528 O ASN A 118 -2.728 4.936 -0.491 1.00 0.00 O ATOM 1529 CB ASN A 118 -4.411 5.116 2.300 1.00 0.00 C ATOM 1530 CG ASN A 118 -5.599 4.902 3.218 1.00 0.00 C ATOM 1531 OD1 ASN A 118 -5.485 4.255 4.259 1.00 0.00 O ATOM 1532 ND2 ASN A 118 -6.748 5.446 2.835 1.00 0.00 N ATOM 0 H ASN A 118 -3.260 2.942 1.121 1.00 0.00 H new ATOM 0 HA ASN A 118 -5.691 4.575 0.661 1.00 0.00 H new ATOM 0 HB2 ASN A 118 -3.523 4.670 2.749 1.00 0.00 H new ATOM 0 HB3 ASN A 118 -4.217 6.184 2.204 1.00 0.00 H new ATOM 0 HD21 ASN A 118 -7.582 5.335 3.412 1.00 0.00 H new ATOM 0 HD22 ASN A 118 -6.797 5.975 1.964 1.00 0.00 H new ATOM 1539 N PHE A 119 -4.433 6.399 -0.604 1.00 0.00 N ATOM 1540 CA PHE A 119 -3.787 7.243 -1.603 1.00 0.00 C ATOM 1541 C PHE A 119 -2.771 8.175 -0.951 1.00 0.00 C ATOM 1542 O PHE A 119 -3.112 8.965 -0.069 1.00 0.00 O ATOM 1543 CB PHE A 119 -4.833 8.061 -2.364 1.00 0.00 C ATOM 1544 CG PHE A 119 -5.634 7.250 -3.341 1.00 0.00 C ATOM 1545 CD1 PHE A 119 -5.011 6.586 -4.385 1.00 0.00 C ATOM 1546 CD2 PHE A 119 -7.011 7.152 -3.216 1.00 0.00 C ATOM 1547 CE1 PHE A 119 -5.745 5.838 -5.286 1.00 0.00 C ATOM 1548 CE2 PHE A 119 -7.750 6.406 -4.114 1.00 0.00 C ATOM 1549 CZ PHE A 119 -7.117 5.749 -5.151 1.00 0.00 C ATOM 0 H PHE A 119 -5.356 6.721 -0.313 1.00 0.00 H new ATOM 0 HA PHE A 119 -3.262 6.596 -2.305 1.00 0.00 H new ATOM 0 HB2 PHE A 119 -5.511 8.525 -1.648 1.00 0.00 H new ATOM 0 HB3 PHE A 119 -4.333 8.868 -2.899 1.00 0.00 H new ATOM 0 HD1 PHE A 119 -3.939 6.654 -4.496 1.00 0.00 H new ATOM 0 HD2 PHE A 119 -7.512 7.664 -2.408 1.00 0.00 H new ATOM 0 HE1 PHE A 119 -5.247 5.324 -6.094 1.00 0.00 H new ATOM 0 HE2 PHE A 119 -8.822 6.337 -4.005 1.00 0.00 H new ATOM 0 HZ PHE A 119 -7.693 5.167 -5.855 1.00 0.00 H new ATOM 1559 N VAL A 120 -1.520 8.078 -1.390 1.00 0.00 N ATOM 1560 CA VAL A 120 -0.453 8.912 -0.851 1.00 0.00 C ATOM 1561 C VAL A 120 0.207 9.739 -1.950 1.00 0.00 C ATOM 1562 O VAL A 120 0.156 9.380 -3.125 1.00 0.00 O ATOM 1563 CB VAL A 120 0.622 8.063 -0.148 1.00 0.00 C ATOM 1564 CG1 VAL A 120 -0.015 7.135 0.876 1.00 0.00 C ATOM 1565 CG2 VAL A 120 1.428 7.271 -1.168 1.00 0.00 C ATOM 0 H VAL A 120 -1.221 7.429 -2.118 1.00 0.00 H new ATOM 0 HA VAL A 120 -0.912 9.581 -0.122 1.00 0.00 H new ATOM 0 HB VAL A 120 1.302 8.733 0.377 1.00 0.00 H new ATOM 0 HG11 VAL A 120 0.760 6.543 1.362 1.00 0.00 H new ATOM 0 HG12 VAL A 120 -0.543 7.726 1.624 1.00 0.00 H new ATOM 0 HG13 VAL A 120 -0.719 6.470 0.376 1.00 0.00 H new ATOM 0 HG21 VAL A 120 2.183 6.677 -0.653 1.00 0.00 H new ATOM 0 HG22 VAL A 120 0.763 6.610 -1.723 1.00 0.00 H new ATOM 0 HG23 VAL A 120 1.916 7.958 -1.859 1.00 0.00 H new ATOM 1575 N GLU A 121 0.825 10.848 -1.557 1.00 0.00 N ATOM 1576 CA GLU A 121 1.494 11.726 -2.509 1.00 0.00 C ATOM 1577 C GLU A 121 2.977 11.864 -2.174 1.00 0.00 C ATOM 1578 O GLU A 121 3.815 12.020 -3.062 1.00 0.00 O ATOM 1579 CB GLU A 121 0.832 13.106 -2.517 1.00 0.00 C ATOM 1580 CG GLU A 121 0.685 13.718 -1.134 1.00 0.00 C ATOM 1581 CD GLU A 121 0.176 15.146 -1.180 1.00 0.00 C ATOM 1582 OE1 GLU A 121 0.663 15.922 -2.029 1.00 0.00 O ATOM 1583 OE2 GLU A 121 -0.709 15.488 -0.368 1.00 0.00 O ATOM 0 H GLU A 121 0.876 11.159 -0.587 1.00 0.00 H new ATOM 0 HA GLU A 121 1.403 11.281 -3.500 1.00 0.00 H new ATOM 0 HB2 GLU A 121 1.420 13.778 -3.142 1.00 0.00 H new ATOM 0 HB3 GLU A 121 -0.153 13.024 -2.976 1.00 0.00 H new ATOM 0 HG2 GLU A 121 -0.000 13.111 -0.543 1.00 0.00 H new ATOM 0 HG3 GLU A 121 1.649 13.696 -0.626 1.00 0.00 H new ATOM 1590 N LYS A 122 3.293 11.805 -0.884 1.00 0.00 N ATOM 1591 CA LYS A 122 4.673 11.923 -0.429 1.00 0.00 C ATOM 1592 C LYS A 122 5.156 10.612 0.186 1.00 0.00 C ATOM 1593 O LYS A 122 4.578 10.118 1.154 1.00 0.00 O ATOM 1594 CB LYS A 122 4.801 13.055 0.593 1.00 0.00 C ATOM 1595 CG LYS A 122 4.487 14.427 0.022 1.00 0.00 C ATOM 1596 CD LYS A 122 5.702 15.039 -0.654 1.00 0.00 C ATOM 1597 CE LYS A 122 6.539 15.845 0.327 1.00 0.00 C ATOM 1598 NZ LYS A 122 5.836 17.078 0.776 1.00 0.00 N ATOM 0 H LYS A 122 2.612 11.676 -0.136 1.00 0.00 H new ATOM 0 HA LYS A 122 5.296 12.151 -1.294 1.00 0.00 H new ATOM 0 HB2 LYS A 122 4.130 12.856 1.429 1.00 0.00 H new ATOM 0 HB3 LYS A 122 5.815 13.060 0.992 1.00 0.00 H new ATOM 0 HG2 LYS A 122 3.672 14.345 -0.697 1.00 0.00 H new ATOM 0 HG3 LYS A 122 4.143 15.085 0.820 1.00 0.00 H new ATOM 0 HD2 LYS A 122 6.313 14.249 -1.092 1.00 0.00 H new ATOM 0 HD3 LYS A 122 5.379 15.682 -1.472 1.00 0.00 H new ATOM 0 HE2 LYS A 122 6.778 15.228 1.193 1.00 0.00 H new ATOM 0 HE3 LYS A 122 7.485 16.117 -0.141 1.00 0.00 H new ATOM 0 HZ1 LYS A 122 6.534 17.774 1.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 122 5.297 17.479 -0.018 1.00 0.00 H new ATOM 0 HZ3 LYS A 122 5.186 16.843 1.553 1.00 0.00 H new ATOM 1612 N VAL A 123 6.221 10.055 -0.382 1.00 0.00 N ATOM 1613 CA VAL A 123 6.783 8.803 0.112 1.00 0.00 C ATOM 1614 C VAL A 123 8.303 8.796 -0.015 1.00 0.00 C ATOM 1615 O VAL A 123 8.845 9.007 -1.099 1.00 0.00 O ATOM 1616 CB VAL A 123 6.210 7.592 -0.647 1.00 0.00 C ATOM 1617 CG1 VAL A 123 6.787 6.296 -0.098 1.00 0.00 C ATOM 1618 CG2 VAL A 123 4.690 7.585 -0.568 1.00 0.00 C ATOM 0 H VAL A 123 6.712 10.450 -1.184 1.00 0.00 H new ATOM 0 HA VAL A 123 6.508 8.726 1.164 1.00 0.00 H new ATOM 0 HB VAL A 123 6.496 7.673 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 123 6.371 5.451 -0.647 1.00 0.00 H new ATOM 0 HG12 VAL A 123 7.871 6.304 -0.211 1.00 0.00 H new ATOM 0 HG13 VAL A 123 6.533 6.203 0.958 1.00 0.00 H new ATOM 0 HG21 VAL A 123 4.301 6.723 -1.110 1.00 0.00 H new ATOM 0 HG22 VAL A 123 4.380 7.528 0.475 1.00 0.00 H new ATOM 0 HG23 VAL A 123 4.298 8.500 -1.013 1.00 0.00 H new ATOM 1628 N GLN A 124 8.983 8.550 1.101 1.00 0.00 N ATOM 1629 CA GLN A 124 10.441 8.515 1.113 1.00 0.00 C ATOM 1630 C GLN A 124 10.965 7.342 0.291 1.00 0.00 C ATOM 1631 O GLN A 124 11.452 6.355 0.842 1.00 0.00 O ATOM 1632 CB GLN A 124 10.957 8.418 2.550 1.00 0.00 C ATOM 1633 CG GLN A 124 10.534 9.584 3.427 1.00 0.00 C ATOM 1634 CD GLN A 124 11.520 10.736 3.382 1.00 0.00 C ATOM 1635 OE1 GLN A 124 12.702 10.545 3.096 1.00 0.00 O ATOM 1636 NE2 GLN A 124 11.036 11.940 3.663 1.00 0.00 N ATOM 0 H GLN A 124 8.549 8.372 2.007 1.00 0.00 H new ATOM 0 HA GLN A 124 10.806 9.439 0.665 1.00 0.00 H new ATOM 0 HB2 GLN A 124 10.597 7.490 2.995 1.00 0.00 H new ATOM 0 HB3 GLN A 124 12.045 8.362 2.534 1.00 0.00 H new ATOM 0 HG2 GLN A 124 9.554 9.937 3.107 1.00 0.00 H new ATOM 0 HG3 GLN A 124 10.429 9.240 4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 124 10.049 12.052 3.895 1.00 0.00 H new ATOM 0 HE22 GLN A 124 11.651 12.753 3.647 1.00 0.00 H new ATOM 1645 N TRP A 125 10.859 7.456 -1.028 1.00 0.00 N ATOM 1646 CA TRP A 125 11.323 6.404 -1.926 1.00 0.00 C ATOM 1647 C TRP A 125 12.833 6.230 -1.826 1.00 0.00 C ATOM 1648 O TRP A 125 13.581 7.208 -1.812 1.00 0.00 O ATOM 1649 CB TRP A 125 10.927 6.726 -3.368 1.00 0.00 C ATOM 1650 CG TRP A 125 9.446 6.701 -3.597 1.00 0.00 C ATOM 1651 CD1 TRP A 125 8.615 7.780 -3.700 1.00 0.00 C ATOM 1652 CD2 TRP A 125 8.622 5.541 -3.751 1.00 0.00 C ATOM 1653 NE1 TRP A 125 7.323 7.361 -3.908 1.00 0.00 N ATOM 1654 CE2 TRP A 125 7.301 5.992 -3.944 1.00 0.00 C ATOM 1655 CE3 TRP A 125 8.870 4.166 -3.746 1.00 0.00 C ATOM 1656 CZ2 TRP A 125 6.235 5.114 -4.129 1.00 0.00 C ATOM 1657 CZ3 TRP A 125 7.811 3.297 -3.929 1.00 0.00 C ATOM 1658 CH2 TRP A 125 6.508 3.773 -4.119 1.00 0.00 C ATOM 0 H TRP A 125 10.456 8.266 -1.500 1.00 0.00 H new ATOM 0 HA TRP A 125 10.849 5.469 -1.627 1.00 0.00 H new ATOM 0 HB2 TRP A 125 11.312 7.711 -3.631 1.00 0.00 H new ATOM 0 HB3 TRP A 125 11.403 6.009 -4.037 1.00 0.00 H new ATOM 0 HD1 TRP A 125 8.928 8.811 -3.628 1.00 0.00 H new ATOM 0 HE1 TRP A 125 6.512 7.970 -4.018 1.00 0.00 H new ATOM 0 HE3 TRP A 125 9.872 3.789 -3.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 125 5.229 5.479 -4.275 1.00 0.00 H new ATOM 0 HZ3 TRP A 125 7.992 2.232 -3.925 1.00 0.00 H new ATOM 0 HH2 TRP A 125 5.702 3.068 -4.260 1.00 0.00 H new