USER MOD reduce.3.24.130724 H: found=0, std=0, add=630, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 633 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 91 TYR OH : rot 17:sc= 0.881 USER MOD Set 1.2: A 114 THR OG1 : rot -173:sc= 0.8 USER MOD Set 2.1: A 19 MET CE :methyl 171:sc= -4.6! (180deg=-5.24!) USER MOD Set 2.2: A 99 LYS NZ :NH3+ 155:sc= -0.068 (180deg=-0.653) USER MOD Set 3.1: A 75 THR OG1 : rot -118:sc= 0.575 USER MOD Set 3.2: A 77 SER OG : rot 111:sc= 0.911 USER MOD Set 4.1: A 31 THR OG1 : rot -85:sc= 0.101 USER MOD Set 4.2: A 32 HIS : no HD1:sc= -2.64! C(o=-2.5!,f=-5.6!) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-1.2) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 62 THR OG1 : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 180:sc= 0 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 SER OG : rot 180:sc= 0 USER MOD Single : A 76 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot -8:sc= 0.0205 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.226 USER MOD Single : A 83 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 ASN :FLIP amide:sc= -3.46! C(o=-4.4!,f=-3.5!) USER MOD Single : A 89 THR OG1 : rot 68:sc= 0.652 USER MOD Single : A 90 MET CE :methyl 162:sc= -0.142 (180deg=-0.616) USER MOD Single : A 94 SER OG : rot 112:sc= 1.26 USER MOD Single : A 96 MET CE :methyl -147:sc= -2.02 (180deg=-4.65!) USER MOD Single : A 98 THR OG1 : rot 180:sc= 0 USER MOD Single : A 100 ASN : amide:sc= -0.351 X(o=-0.35,f=0) USER MOD Single : A 103 SER OG : rot 19:sc= 0.202 USER MOD Single : A 104 SER OG : rot 170:sc= 0 USER MOD Single : A 105 THR OG1 : rot 180:sc= -0.0593 USER MOD Single : A 107 SER OG : rot -90:sc= -2.27! USER MOD Single : A 108 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -101:sc= 1.02 USER MOD Single : A 111 HIS : no HD1:sc= -0.18 X(o=-0.18,f=-0.53) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.612 USER MOD Single : A 115 TYR OH : rot 169:sc= 1.04 USER MOD ----------------------------------------------------------------- ATOM 225 N MET A 19 4.773 17.762 3.924 1.00 0.00 N ATOM 226 CA MET A 19 3.807 17.204 2.983 1.00 0.00 C ATOM 227 C MET A 19 2.726 16.418 3.717 1.00 0.00 C ATOM 228 O MET A 19 2.748 16.307 4.944 1.00 0.00 O ATOM 229 CB MET A 19 4.514 16.300 1.971 1.00 0.00 C ATOM 230 CG MET A 19 5.456 17.048 1.042 1.00 0.00 C ATOM 231 SD MET A 19 5.572 16.288 -0.589 1.00 0.00 S ATOM 232 CE MET A 19 3.845 16.239 -1.063 1.00 0.00 C ATOM 0 HA MET A 19 3.333 18.030 2.453 1.00 0.00 H new ATOM 0 HB2 MET A 19 5.077 15.537 2.509 1.00 0.00 H new ATOM 0 HB3 MET A 19 3.764 15.781 1.374 1.00 0.00 H new ATOM 0 HG2 MET A 19 5.113 18.077 0.935 1.00 0.00 H new ATOM 0 HG3 MET A 19 6.448 17.087 1.492 1.00 0.00 H new ATOM 0 HE1 MET A 19 3.763 15.944 -2.109 1.00 0.00 H new ATOM 0 HE2 MET A 19 3.317 15.517 -0.440 1.00 0.00 H new ATOM 0 HE3 MET A 19 3.403 17.226 -0.928 1.00 0.00 H new ATOM 242 N LEU A 20 1.780 15.874 2.960 1.00 0.00 N ATOM 243 CA LEU A 20 0.688 15.098 3.538 1.00 0.00 C ATOM 244 C LEU A 20 0.362 13.886 2.671 1.00 0.00 C ATOM 245 O LEU A 20 -0.145 14.009 1.555 1.00 0.00 O ATOM 246 CB LEU A 20 -0.556 15.973 3.701 1.00 0.00 C ATOM 247 CG LEU A 20 -1.492 15.601 4.852 1.00 0.00 C ATOM 248 CD1 LEU A 20 -2.144 14.252 4.595 1.00 0.00 C ATOM 249 CD2 LEU A 20 -0.734 15.586 6.172 1.00 0.00 C ATOM 0 H LEU A 20 1.747 15.956 1.944 1.00 0.00 H new ATOM 0 HA LEU A 20 1.006 14.744 4.519 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -0.234 17.005 3.840 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -1.124 15.939 2.771 1.00 0.00 H new ATOM 0 HG LEU A 20 -2.277 16.355 4.915 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -2.806 14.004 5.424 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -2.721 14.297 3.671 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -1.373 13.487 4.505 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -1.415 15.319 6.980 1.00 0.00 H new ATOM 0 HD22 LEU A 20 0.072 14.854 6.121 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -0.315 16.574 6.362 1.00 0.00 H new ATOM 261 N PRO A 21 0.656 12.687 3.194 1.00 0.00 N ATOM 262 CA PRO A 21 0.400 11.430 2.485 1.00 0.00 C ATOM 263 C PRO A 21 -1.089 11.123 2.369 1.00 0.00 C ATOM 264 O PRO A 21 -1.918 11.664 3.101 1.00 0.00 O ATOM 265 CB PRO A 21 1.095 10.382 3.358 1.00 0.00 C ATOM 266 CG PRO A 21 1.122 10.982 4.721 1.00 0.00 C ATOM 267 CD PRO A 21 1.261 12.466 4.518 1.00 0.00 C ATOM 0 HA PRO A 21 0.765 11.460 1.458 1.00 0.00 H new ATOM 0 HB2 PRO A 21 0.551 9.438 3.352 1.00 0.00 H new ATOM 0 HB3 PRO A 21 2.102 10.172 2.998 1.00 0.00 H new ATOM 0 HG2 PRO A 21 0.210 10.747 5.269 1.00 0.00 H new ATOM 0 HG3 PRO A 21 1.954 10.588 5.304 1.00 0.00 H new ATOM 0 HD2 PRO A 21 0.743 13.028 5.295 1.00 0.00 H new ATOM 0 HD3 PRO A 21 2.305 12.779 4.540 1.00 0.00 H new ATOM 275 N PRO A 22 -1.439 10.233 1.428 1.00 0.00 N ATOM 276 CA PRO A 22 -2.830 9.834 1.194 1.00 0.00 C ATOM 277 C PRO A 22 -3.391 8.993 2.336 1.00 0.00 C ATOM 278 O PRO A 22 -2.712 8.751 3.334 1.00 0.00 O ATOM 279 CB PRO A 22 -2.751 9.005 -0.090 1.00 0.00 C ATOM 280 CG PRO A 22 -1.355 8.487 -0.121 1.00 0.00 C ATOM 281 CD PRO A 22 -0.504 9.549 0.519 1.00 0.00 C ATOM 0 HA PRO A 22 -3.494 10.695 1.121 1.00 0.00 H new ATOM 0 HB2 PRO A 22 -3.475 8.191 -0.081 1.00 0.00 H new ATOM 0 HB3 PRO A 22 -2.967 9.614 -0.968 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -1.276 7.545 0.421 1.00 0.00 H new ATOM 0 HG3 PRO A 22 -1.033 8.294 -1.144 1.00 0.00 H new ATOM 0 HD2 PRO A 22 0.338 9.117 1.059 1.00 0.00 H new ATOM 0 HD3 PRO A 22 -0.091 10.233 -0.222 1.00 0.00 H new ATOM 289 N VAL A 23 -4.635 8.550 2.183 1.00 0.00 N ATOM 290 CA VAL A 23 -5.287 7.735 3.202 1.00 0.00 C ATOM 291 C VAL A 23 -6.308 6.790 2.578 1.00 0.00 C ATOM 292 O VAL A 23 -6.437 6.716 1.357 1.00 0.00 O ATOM 293 CB VAL A 23 -5.989 8.610 4.256 1.00 0.00 C ATOM 294 CG1 VAL A 23 -5.000 9.568 4.901 1.00 0.00 C ATOM 295 CG2 VAL A 23 -7.150 9.369 3.631 1.00 0.00 C ATOM 0 H VAL A 23 -5.211 8.742 1.364 1.00 0.00 H new ATOM 0 HA VAL A 23 -4.506 7.151 3.689 1.00 0.00 H new ATOM 0 HB VAL A 23 -6.387 7.960 5.035 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -5.515 10.178 5.643 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -4.206 9.000 5.386 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -4.568 10.214 4.137 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -7.635 9.982 4.391 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -6.778 10.009 2.831 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -7.871 8.660 3.223 1.00 0.00 H new ATOM 305 N GLY A 24 -7.034 6.068 3.427 1.00 0.00 N ATOM 306 CA GLY A 24 -8.036 5.138 2.941 1.00 0.00 C ATOM 307 C GLY A 24 -7.481 4.175 1.909 1.00 0.00 C ATOM 308 O GLY A 24 -8.198 3.738 1.009 1.00 0.00 O ATOM 0 H GLY A 24 -6.946 6.111 4.442 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -8.440 4.573 3.781 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -8.864 5.696 2.504 1.00 0.00 H new ATOM 312 N VAL A 25 -6.200 3.845 2.039 1.00 0.00 N ATOM 313 CA VAL A 25 -5.549 2.928 1.111 1.00 0.00 C ATOM 314 C VAL A 25 -6.123 1.521 1.234 1.00 0.00 C ATOM 315 O VAL A 25 -6.001 0.880 2.277 1.00 0.00 O ATOM 316 CB VAL A 25 -4.029 2.874 1.349 1.00 0.00 C ATOM 317 CG1 VAL A 25 -3.317 2.303 0.132 1.00 0.00 C ATOM 318 CG2 VAL A 25 -3.493 4.256 1.691 1.00 0.00 C ATOM 0 H VAL A 25 -5.593 4.199 2.778 1.00 0.00 H new ATOM 0 HA VAL A 25 -5.738 3.307 0.107 1.00 0.00 H new ATOM 0 HB VAL A 25 -3.835 2.215 2.195 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -2.244 2.273 0.319 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -3.680 1.294 -0.062 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -3.516 2.933 -0.735 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -2.417 4.198 1.856 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -3.698 4.940 0.867 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -3.980 4.621 2.595 1.00 0.00 H new ATOM 328 N GLN A 26 -6.750 1.048 0.162 1.00 0.00 N ATOM 329 CA GLN A 26 -7.343 -0.284 0.150 1.00 0.00 C ATOM 330 C GLN A 26 -6.676 -1.169 -0.898 1.00 0.00 C ATOM 331 O GLN A 26 -6.605 -0.809 -2.073 1.00 0.00 O ATOM 332 CB GLN A 26 -8.845 -0.194 -0.122 1.00 0.00 C ATOM 333 CG GLN A 26 -9.505 -1.545 -0.347 1.00 0.00 C ATOM 334 CD GLN A 26 -9.977 -2.186 0.943 1.00 0.00 C ATOM 335 OE1 GLN A 26 -9.494 -1.856 2.027 1.00 0.00 O ATOM 336 NE2 GLN A 26 -10.926 -3.109 0.834 1.00 0.00 N ATOM 0 H GLN A 26 -6.860 1.567 -0.709 1.00 0.00 H new ATOM 0 HA GLN A 26 -7.185 -0.733 1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -9.329 0.302 0.719 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -9.010 0.432 -0.999 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -10.354 -1.423 -1.019 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -8.799 -2.212 -0.843 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -11.298 -3.352 -0.084 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -11.283 -3.575 1.668 1.00 0.00 H new ATOM 345 N ALA A 27 -6.188 -2.326 -0.465 1.00 0.00 N ATOM 346 CA ALA A 27 -5.528 -3.262 -1.366 1.00 0.00 C ATOM 347 C ALA A 27 -6.486 -4.362 -1.813 1.00 0.00 C ATOM 348 O ALA A 27 -6.741 -5.314 -1.076 1.00 0.00 O ATOM 349 CB ALA A 27 -4.303 -3.867 -0.696 1.00 0.00 C ATOM 0 H ALA A 27 -6.237 -2.638 0.505 1.00 0.00 H new ATOM 0 HA ALA A 27 -5.209 -2.711 -2.251 1.00 0.00 H new ATOM 0 HB1 ALA A 27 -3.821 -4.564 -1.381 1.00 0.00 H new ATOM 0 HB2 ALA A 27 -3.603 -3.074 -0.433 1.00 0.00 H new ATOM 0 HB3 ALA A 27 -4.607 -4.397 0.207 1.00 0.00 H new ATOM 355 N VAL A 28 -7.014 -4.223 -3.025 1.00 0.00 N ATOM 356 CA VAL A 28 -7.944 -5.205 -3.571 1.00 0.00 C ATOM 357 C VAL A 28 -7.213 -6.248 -4.407 1.00 0.00 C ATOM 358 O VAL A 28 -6.354 -5.914 -5.223 1.00 0.00 O ATOM 359 CB VAL A 28 -9.025 -4.533 -4.438 1.00 0.00 C ATOM 360 CG1 VAL A 28 -10.087 -5.542 -4.845 1.00 0.00 C ATOM 361 CG2 VAL A 28 -9.648 -3.359 -3.697 1.00 0.00 C ATOM 0 H VAL A 28 -6.814 -3.440 -3.647 1.00 0.00 H new ATOM 0 HA VAL A 28 -8.422 -5.694 -2.722 1.00 0.00 H new ATOM 0 HB VAL A 28 -8.554 -4.152 -5.345 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -10.842 -5.049 -5.457 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -9.625 -6.346 -5.417 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -10.557 -5.956 -3.953 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -10.410 -2.896 -4.324 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -10.105 -3.713 -2.773 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -8.876 -2.626 -3.462 1.00 0.00 H new ATOM 371 N ALA A 29 -7.560 -7.514 -4.199 1.00 0.00 N ATOM 372 CA ALA A 29 -6.938 -8.608 -4.936 1.00 0.00 C ATOM 373 C ALA A 29 -7.786 -9.012 -6.138 1.00 0.00 C ATOM 374 O ALA A 29 -8.906 -9.501 -5.984 1.00 0.00 O ATOM 375 CB ALA A 29 -6.715 -9.802 -4.020 1.00 0.00 C ATOM 0 H ALA A 29 -8.268 -7.808 -3.526 1.00 0.00 H new ATOM 0 HA ALA A 29 -5.973 -8.262 -5.305 1.00 0.00 H new ATOM 0 HB1 ALA A 29 -6.250 -10.611 -4.583 1.00 0.00 H new ATOM 0 HB2 ALA A 29 -6.063 -9.512 -3.196 1.00 0.00 H new ATOM 0 HB3 ALA A 29 -7.672 -10.140 -3.623 1.00 0.00 H new ATOM 381 N LEU A 30 -7.246 -8.803 -7.333 1.00 0.00 N ATOM 382 CA LEU A 30 -7.954 -9.146 -8.562 1.00 0.00 C ATOM 383 C LEU A 30 -7.744 -10.613 -8.921 1.00 0.00 C ATOM 384 O LEU A 30 -8.702 -11.350 -9.156 1.00 0.00 O ATOM 385 CB LEU A 30 -7.480 -8.255 -9.712 1.00 0.00 C ATOM 386 CG LEU A 30 -7.382 -6.760 -9.407 1.00 0.00 C ATOM 387 CD1 LEU A 30 -6.542 -6.054 -10.460 1.00 0.00 C ATOM 388 CD2 LEU A 30 -8.769 -6.141 -9.324 1.00 0.00 C ATOM 0 H LEU A 30 -6.321 -8.398 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 30 -9.019 -8.981 -8.397 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -6.499 -8.604 -10.035 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.160 -8.390 -10.553 1.00 0.00 H new ATOM 0 HG LEU A 30 -6.893 -6.637 -8.441 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -6.484 -4.991 -10.226 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -5.538 -6.479 -10.470 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -7.001 -6.185 -11.440 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -8.680 -5.077 -9.106 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -9.285 -6.275 -10.275 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.338 -6.627 -8.531 1.00 0.00 H new ATOM 400 N THR A 31 -6.483 -11.033 -8.960 1.00 0.00 N ATOM 401 CA THR A 31 -6.147 -12.413 -9.288 1.00 0.00 C ATOM 402 C THR A 31 -4.878 -12.856 -8.569 1.00 0.00 C ATOM 403 O THR A 31 -4.235 -12.064 -7.879 1.00 0.00 O ATOM 404 CB THR A 31 -5.954 -12.598 -10.805 1.00 0.00 C ATOM 405 OG1 THR A 31 -6.141 -13.973 -11.158 1.00 0.00 O ATOM 406 CG2 THR A 31 -4.568 -12.143 -11.234 1.00 0.00 C ATOM 0 H THR A 31 -5.678 -10.437 -8.768 1.00 0.00 H new ATOM 0 HA THR A 31 -6.983 -13.029 -8.957 1.00 0.00 H new ATOM 0 HB THR A 31 -6.695 -11.987 -11.320 1.00 0.00 H new ATOM 0 HG1 THR A 31 -5.302 -14.462 -11.024 1.00 0.00 H new ATOM 0 HG21 THR A 31 -4.456 -12.283 -12.309 1.00 0.00 H new ATOM 0 HG22 THR A 31 -4.440 -11.088 -10.990 1.00 0.00 H new ATOM 0 HG23 THR A 31 -3.814 -12.731 -10.711 1.00 0.00 H new ATOM 414 N HIS A 32 -4.522 -14.126 -8.734 1.00 0.00 N ATOM 415 CA HIS A 32 -3.328 -14.674 -8.101 1.00 0.00 C ATOM 416 C HIS A 32 -2.121 -13.772 -8.344 1.00 0.00 C ATOM 417 O HIS A 32 -1.281 -13.592 -7.463 1.00 0.00 O ATOM 418 CB HIS A 32 -3.044 -16.080 -8.630 1.00 0.00 C ATOM 419 CG HIS A 32 -3.151 -16.192 -10.119 1.00 0.00 C ATOM 420 ND1 HIS A 32 -4.354 -16.328 -10.779 1.00 0.00 N ATOM 421 CD2 HIS A 32 -2.196 -16.187 -11.079 1.00 0.00 C ATOM 422 CE1 HIS A 32 -4.135 -16.403 -12.080 1.00 0.00 C ATOM 423 NE2 HIS A 32 -2.833 -16.319 -12.288 1.00 0.00 N ATOM 0 H HIS A 32 -5.043 -14.795 -9.301 1.00 0.00 H new ATOM 0 HA HIS A 32 -3.508 -14.728 -7.027 1.00 0.00 H new ATOM 0 HB2 HIS A 32 -2.042 -16.380 -8.322 1.00 0.00 H new ATOM 0 HB3 HIS A 32 -3.741 -16.780 -8.170 1.00 0.00 H new ATOM 0 HD2 HIS A 32 -1.131 -16.096 -10.923 1.00 0.00 H new ATOM 0 HE1 HIS A 32 -4.891 -16.514 -12.843 1.00 0.00 H new ATOM 0 HE2 HIS A 32 -2.375 -16.348 -13.199 1.00 0.00 H new ATOM 432 N ASP A 33 -2.042 -13.210 -9.545 1.00 0.00 N ATOM 433 CA ASP A 33 -0.939 -12.327 -9.905 1.00 0.00 C ATOM 434 C ASP A 33 -1.450 -10.934 -10.258 1.00 0.00 C ATOM 435 O ASP A 33 -0.991 -10.318 -11.220 1.00 0.00 O ATOM 436 CB ASP A 33 -0.154 -12.909 -11.081 1.00 0.00 C ATOM 437 CG ASP A 33 -1.022 -13.127 -12.305 1.00 0.00 C ATOM 438 OD1 ASP A 33 -1.398 -12.127 -12.951 1.00 0.00 O ATOM 439 OD2 ASP A 33 -1.327 -14.298 -12.616 1.00 0.00 O ATOM 0 H ASP A 33 -2.729 -13.350 -10.286 1.00 0.00 H new ATOM 0 HA ASP A 33 -0.278 -12.244 -9.043 1.00 0.00 H new ATOM 0 HB2 ASP A 33 0.665 -12.237 -11.335 1.00 0.00 H new ATOM 0 HB3 ASP A 33 0.293 -13.857 -10.782 1.00 0.00 H new ATOM 444 N ALA A 34 -2.406 -10.443 -9.475 1.00 0.00 N ATOM 445 CA ALA A 34 -2.979 -9.123 -9.705 1.00 0.00 C ATOM 446 C ALA A 34 -3.526 -8.529 -8.411 1.00 0.00 C ATOM 447 O ALA A 34 -3.993 -9.254 -7.532 1.00 0.00 O ATOM 448 CB ALA A 34 -4.075 -9.200 -10.757 1.00 0.00 C ATOM 0 H ALA A 34 -2.799 -10.940 -8.676 1.00 0.00 H new ATOM 0 HA ALA A 34 -2.187 -8.468 -10.068 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -4.494 -8.207 -10.919 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -3.657 -9.574 -11.691 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -4.860 -9.874 -10.415 1.00 0.00 H new ATOM 454 N VAL A 35 -3.464 -7.206 -8.300 1.00 0.00 N ATOM 455 CA VAL A 35 -3.953 -6.515 -7.113 1.00 0.00 C ATOM 456 C VAL A 35 -4.235 -5.046 -7.410 1.00 0.00 C ATOM 457 O VAL A 35 -3.322 -4.276 -7.708 1.00 0.00 O ATOM 458 CB VAL A 35 -2.944 -6.608 -5.953 1.00 0.00 C ATOM 459 CG1 VAL A 35 -3.238 -5.547 -4.903 1.00 0.00 C ATOM 460 CG2 VAL A 35 -2.968 -7.999 -5.338 1.00 0.00 C ATOM 0 H VAL A 35 -3.080 -6.591 -9.018 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.879 -7.008 -6.819 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.944 -6.427 -6.348 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -2.515 -5.628 -4.091 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.166 -4.558 -5.355 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -4.244 -5.694 -4.509 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -2.249 -8.048 -4.520 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -3.967 -8.211 -4.957 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -2.705 -8.737 -6.096 1.00 0.00 H new ATOM 470 N ARG A 36 -5.506 -4.665 -7.326 1.00 0.00 N ATOM 471 CA ARG A 36 -5.909 -3.288 -7.586 1.00 0.00 C ATOM 472 C ARG A 36 -5.808 -2.443 -6.319 1.00 0.00 C ATOM 473 O ARG A 36 -6.655 -2.535 -5.431 1.00 0.00 O ATOM 474 CB ARG A 36 -7.339 -3.246 -8.127 1.00 0.00 C ATOM 475 CG ARG A 36 -7.905 -1.841 -8.244 1.00 0.00 C ATOM 476 CD ARG A 36 -7.114 -1.002 -9.236 1.00 0.00 C ATOM 477 NE ARG A 36 -7.540 -1.237 -10.613 1.00 0.00 N ATOM 478 CZ ARG A 36 -7.190 -0.461 -11.633 1.00 0.00 C ATOM 479 NH1 ARG A 36 -6.412 0.593 -11.432 1.00 0.00 N ATOM 480 NH2 ARG A 36 -7.619 -0.740 -12.858 1.00 0.00 N ATOM 0 H ARG A 36 -6.274 -5.290 -7.080 1.00 0.00 H new ATOM 0 HA ARG A 36 -5.233 -2.873 -8.333 1.00 0.00 H new ATOM 0 HB2 ARG A 36 -7.361 -3.720 -9.108 1.00 0.00 H new ATOM 0 HB3 ARG A 36 -7.983 -3.835 -7.474 1.00 0.00 H new ATOM 0 HG2 ARG A 36 -8.947 -1.893 -8.559 1.00 0.00 H new ATOM 0 HG3 ARG A 36 -7.891 -1.359 -7.266 1.00 0.00 H new ATOM 0 HD2 ARG A 36 -7.234 0.054 -8.995 1.00 0.00 H new ATOM 0 HD3 ARG A 36 -6.053 -1.232 -9.140 1.00 0.00 H new ATOM 0 HE ARG A 36 -8.139 -2.041 -10.802 1.00 0.00 H new ATOM 0 HH11 ARG A 36 -6.080 0.810 -10.492 1.00 0.00 H new ATOM 0 HH12 ARG A 36 -6.145 1.187 -12.217 1.00 0.00 H new ATOM 0 HH21 ARG A 36 -8.218 -1.550 -13.016 1.00 0.00 H new ATOM 0 HH22 ARG A 36 -7.350 -0.144 -13.641 1.00 0.00 H new ATOM 494 N VAL A 37 -4.766 -1.622 -6.243 1.00 0.00 N ATOM 495 CA VAL A 37 -4.554 -0.760 -5.086 1.00 0.00 C ATOM 496 C VAL A 37 -5.184 0.612 -5.300 1.00 0.00 C ATOM 497 O VAL A 37 -4.717 1.399 -6.122 1.00 0.00 O ATOM 498 CB VAL A 37 -3.054 -0.583 -4.785 1.00 0.00 C ATOM 499 CG1 VAL A 37 -2.857 0.237 -3.519 1.00 0.00 C ATOM 500 CG2 VAL A 37 -2.372 -1.938 -4.664 1.00 0.00 C ATOM 0 H VAL A 37 -4.055 -1.535 -6.969 1.00 0.00 H new ATOM 0 HA VAL A 37 -5.032 -1.247 -4.236 1.00 0.00 H new ATOM 0 HB VAL A 37 -2.596 -0.044 -5.614 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -1.791 0.352 -3.322 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -3.310 1.220 -3.648 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -3.328 -0.272 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -1.313 -1.794 -4.451 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -2.831 -2.505 -3.854 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -2.483 -2.486 -5.600 1.00 0.00 H new ATOM 510 N SER A 38 -6.247 0.892 -4.553 1.00 0.00 N ATOM 511 CA SER A 38 -6.944 2.168 -4.662 1.00 0.00 C ATOM 512 C SER A 38 -6.947 2.902 -3.324 1.00 0.00 C ATOM 513 O SER A 38 -7.153 2.296 -2.273 1.00 0.00 O ATOM 514 CB SER A 38 -8.380 1.949 -5.141 1.00 0.00 C ATOM 515 OG SER A 38 -9.092 1.107 -4.251 1.00 0.00 O ATOM 0 H SER A 38 -6.645 0.252 -3.865 1.00 0.00 H new ATOM 0 HA SER A 38 -6.415 2.782 -5.391 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.889 2.909 -5.224 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.371 1.506 -6.137 1.00 0.00 H new ATOM 0 HG SER A 38 -10.007 0.984 -4.579 1.00 0.00 H new ATOM 521 N TRP A 39 -6.718 4.209 -3.374 1.00 0.00 N ATOM 522 CA TRP A 39 -6.694 5.026 -2.166 1.00 0.00 C ATOM 523 C TRP A 39 -7.542 6.281 -2.342 1.00 0.00 C ATOM 524 O TRP A 39 -8.155 6.485 -3.389 1.00 0.00 O ATOM 525 CB TRP A 39 -5.256 5.412 -1.814 1.00 0.00 C ATOM 526 CG TRP A 39 -4.556 6.155 -2.911 1.00 0.00 C ATOM 527 CD1 TRP A 39 -4.445 7.510 -3.042 1.00 0.00 C ATOM 528 CD2 TRP A 39 -3.870 5.584 -4.031 1.00 0.00 C ATOM 529 NE1 TRP A 39 -3.732 7.816 -4.176 1.00 0.00 N ATOM 530 CE2 TRP A 39 -3.367 6.652 -4.800 1.00 0.00 C ATOM 531 CE3 TRP A 39 -3.630 4.276 -4.458 1.00 0.00 C ATOM 532 CZ2 TRP A 39 -2.642 6.449 -5.970 1.00 0.00 C ATOM 533 CZ3 TRP A 39 -2.910 4.076 -5.620 1.00 0.00 C ATOM 534 CH2 TRP A 39 -2.422 5.157 -6.365 1.00 0.00 C ATOM 0 H TRP A 39 -6.546 4.725 -4.237 1.00 0.00 H new ATOM 0 HA TRP A 39 -7.114 4.437 -1.350 1.00 0.00 H new ATOM 0 HB2 TRP A 39 -5.262 6.027 -0.914 1.00 0.00 H new ATOM 0 HB3 TRP A 39 -4.692 4.509 -1.579 1.00 0.00 H new ATOM 0 HD1 TRP A 39 -4.857 8.234 -2.355 1.00 0.00 H new ATOM 0 HE1 TRP A 39 -3.510 8.757 -4.501 1.00 0.00 H new ATOM 0 HE3 TRP A 39 -4.001 3.436 -3.890 1.00 0.00 H new ATOM 0 HZ2 TRP A 39 -2.266 7.281 -6.546 1.00 0.00 H new ATOM 0 HZ3 TRP A 39 -2.720 3.069 -5.960 1.00 0.00 H new ATOM 0 HH2 TRP A 39 -1.861 4.968 -7.268 1.00 0.00 H new ATOM 545 N ALA A 40 -7.571 7.120 -1.311 1.00 0.00 N ATOM 546 CA ALA A 40 -8.341 8.356 -1.353 1.00 0.00 C ATOM 547 C ALA A 40 -7.445 9.570 -1.132 1.00 0.00 C ATOM 548 O ALA A 40 -6.435 9.488 -0.433 1.00 0.00 O ATOM 549 CB ALA A 40 -9.452 8.322 -0.314 1.00 0.00 C ATOM 0 H ALA A 40 -7.070 6.965 -0.436 1.00 0.00 H new ATOM 0 HA ALA A 40 -8.787 8.442 -2.344 1.00 0.00 H new ATOM 0 HB1 ALA A 40 -10.019 9.252 -0.357 1.00 0.00 H new ATOM 0 HB2 ALA A 40 -10.116 7.482 -0.519 1.00 0.00 H new ATOM 0 HB3 ALA A 40 -9.018 8.207 0.679 1.00 0.00 H new ATOM 555 N ASP A 41 -7.820 10.694 -1.732 1.00 0.00 N ATOM 556 CA ASP A 41 -7.050 11.925 -1.600 1.00 0.00 C ATOM 557 C ASP A 41 -7.612 12.801 -0.484 1.00 0.00 C ATOM 558 O ASP A 41 -8.819 13.028 -0.409 1.00 0.00 O ATOM 559 CB ASP A 41 -7.050 12.697 -2.920 1.00 0.00 C ATOM 560 CG ASP A 41 -8.452 12.992 -3.418 1.00 0.00 C ATOM 561 OD1 ASP A 41 -9.115 12.055 -3.910 1.00 0.00 O ATOM 562 OD2 ASP A 41 -8.885 14.159 -3.316 1.00 0.00 O ATOM 0 H ASP A 41 -8.653 10.778 -2.315 1.00 0.00 H new ATOM 0 HA ASP A 41 -6.025 11.657 -1.346 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -6.509 13.634 -2.789 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -6.513 12.122 -3.674 1.00 0.00 H new ATOM 753 N ARG A 54 1.241 17.127 -8.760 1.00 0.00 N ATOM 754 CA ARG A 54 2.053 16.215 -7.962 1.00 0.00 C ATOM 755 C ARG A 54 2.138 14.842 -8.623 1.00 0.00 C ATOM 756 O ARG A 54 1.643 14.645 -9.734 1.00 0.00 O ATOM 757 CB ARG A 54 1.472 16.080 -6.554 1.00 0.00 C ATOM 758 CG ARG A 54 0.864 17.366 -6.019 1.00 0.00 C ATOM 759 CD ARG A 54 -0.653 17.352 -6.126 1.00 0.00 C ATOM 760 NE ARG A 54 -1.105 17.402 -7.513 1.00 0.00 N ATOM 761 CZ ARG A 54 -2.284 16.944 -7.920 1.00 0.00 C ATOM 762 NH1 ARG A 54 -3.125 16.404 -7.048 1.00 0.00 N ATOM 763 NH2 ARG A 54 -2.623 17.025 -9.200 1.00 0.00 N ATOM 0 HA ARG A 54 3.059 16.629 -7.894 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.709 15.302 -6.558 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.259 15.751 -5.876 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.155 17.501 -4.977 1.00 0.00 H new ATOM 0 HG3 ARG A 54 1.261 18.216 -6.574 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -1.041 16.451 -5.651 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.063 18.202 -5.581 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.481 17.811 -8.208 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -2.867 16.340 -6.063 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -4.030 16.053 -7.362 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -1.978 17.439 -9.873 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.528 16.673 -9.511 1.00 0.00 H new ATOM 777 N LEU A 55 2.768 13.898 -7.934 1.00 0.00 N ATOM 778 CA LEU A 55 2.918 12.543 -8.454 1.00 0.00 C ATOM 779 C LEU A 55 2.692 11.510 -7.355 1.00 0.00 C ATOM 780 O LEU A 55 3.187 11.659 -6.237 1.00 0.00 O ATOM 781 CB LEU A 55 4.310 12.361 -9.063 1.00 0.00 C ATOM 782 CG LEU A 55 4.662 10.945 -9.521 1.00 0.00 C ATOM 783 CD1 LEU A 55 4.304 10.754 -10.987 1.00 0.00 C ATOM 784 CD2 LEU A 55 6.139 10.661 -9.289 1.00 0.00 C ATOM 0 H LEU A 55 3.183 14.045 -7.014 1.00 0.00 H new ATOM 0 HA LEU A 55 2.166 12.392 -9.229 1.00 0.00 H new ATOM 0 HB2 LEU A 55 4.401 13.031 -9.918 1.00 0.00 H new ATOM 0 HB3 LEU A 55 5.050 12.678 -8.329 1.00 0.00 H new ATOM 0 HG LEU A 55 4.080 10.237 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 55 4.561 9.741 -11.295 1.00 0.00 H new ATOM 0 HD12 LEU A 55 3.235 10.914 -11.124 1.00 0.00 H new ATOM 0 HD13 LEU A 55 4.859 11.470 -11.593 1.00 0.00 H new ATOM 0 HD21 LEU A 55 6.371 9.649 -9.621 1.00 0.00 H new ATOM 0 HD22 LEU A 55 6.740 11.375 -9.853 1.00 0.00 H new ATOM 0 HD23 LEU A 55 6.365 10.756 -8.227 1.00 0.00 H new ATOM 796 N TYR A 56 1.944 10.462 -7.681 1.00 0.00 N ATOM 797 CA TYR A 56 1.652 9.403 -6.721 1.00 0.00 C ATOM 798 C TYR A 56 2.402 8.123 -7.078 1.00 0.00 C ATOM 799 O TYR A 56 2.302 7.622 -8.199 1.00 0.00 O ATOM 800 CB TYR A 56 0.148 9.130 -6.673 1.00 0.00 C ATOM 801 CG TYR A 56 -0.619 10.117 -5.822 1.00 0.00 C ATOM 802 CD1 TYR A 56 -0.460 11.486 -5.998 1.00 0.00 C ATOM 803 CD2 TYR A 56 -1.502 9.681 -4.842 1.00 0.00 C ATOM 804 CE1 TYR A 56 -1.159 12.392 -5.223 1.00 0.00 C ATOM 805 CE2 TYR A 56 -2.206 10.579 -4.064 1.00 0.00 C ATOM 806 CZ TYR A 56 -2.030 11.934 -4.258 1.00 0.00 C ATOM 807 OH TYR A 56 -2.728 12.832 -3.483 1.00 0.00 O ATOM 0 H TYR A 56 1.529 10.323 -8.602 1.00 0.00 H new ATOM 0 HA TYR A 56 1.985 9.736 -5.738 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -0.249 9.152 -7.688 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -0.018 8.124 -6.287 1.00 0.00 H new ATOM 0 HD1 TYR A 56 0.222 11.848 -6.753 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -1.640 8.621 -4.686 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -1.023 13.453 -5.373 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -2.890 10.223 -3.308 1.00 0.00 H new ATOM 0 HH TYR A 56 -3.299 12.345 -2.852 1.00 0.00 H new ATOM 817 N THR A 57 3.152 7.596 -6.115 1.00 0.00 N ATOM 818 CA THR A 57 3.919 6.375 -6.325 1.00 0.00 C ATOM 819 C THR A 57 3.340 5.217 -5.521 1.00 0.00 C ATOM 820 O THR A 57 2.798 5.413 -4.433 1.00 0.00 O ATOM 821 CB THR A 57 5.398 6.566 -5.937 1.00 0.00 C ATOM 822 OG1 THR A 57 5.922 7.739 -6.570 1.00 0.00 O ATOM 823 CG2 THR A 57 6.224 5.354 -6.340 1.00 0.00 C ATOM 0 H THR A 57 3.244 7.996 -5.181 1.00 0.00 H new ATOM 0 HA THR A 57 3.857 6.142 -7.388 1.00 0.00 H new ATOM 0 HB THR A 57 5.455 6.681 -4.855 1.00 0.00 H new ATOM 0 HG1 THR A 57 6.862 7.855 -6.317 1.00 0.00 H new ATOM 0 HG21 THR A 57 7.264 5.512 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 57 5.840 4.468 -5.834 1.00 0.00 H new ATOM 0 HG23 THR A 57 6.160 5.212 -7.419 1.00 0.00 H new ATOM 831 N VAL A 58 3.459 4.009 -6.062 1.00 0.00 N ATOM 832 CA VAL A 58 2.949 2.818 -5.393 1.00 0.00 C ATOM 833 C VAL A 58 3.990 1.703 -5.386 1.00 0.00 C ATOM 834 O VAL A 58 4.332 1.153 -6.433 1.00 0.00 O ATOM 835 CB VAL A 58 1.665 2.301 -6.069 1.00 0.00 C ATOM 836 CG1 VAL A 58 0.999 1.238 -5.208 1.00 0.00 C ATOM 837 CG2 VAL A 58 0.709 3.452 -6.343 1.00 0.00 C ATOM 0 H VAL A 58 3.904 3.829 -6.962 1.00 0.00 H new ATOM 0 HA VAL A 58 2.721 3.105 -4.367 1.00 0.00 H new ATOM 0 HB VAL A 58 1.934 1.846 -7.022 1.00 0.00 H new ATOM 0 HG11 VAL A 58 0.094 0.885 -5.702 1.00 0.00 H new ATOM 0 HG12 VAL A 58 1.685 0.403 -5.066 1.00 0.00 H new ATOM 0 HG13 VAL A 58 0.741 1.664 -4.239 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.193 3.070 -6.821 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.444 3.937 -5.403 1.00 0.00 H new ATOM 0 HG23 VAL A 58 1.190 4.175 -7.002 1.00 0.00 H new ATOM 847 N ARG A 59 4.489 1.375 -4.199 1.00 0.00 N ATOM 848 CA ARG A 59 5.491 0.326 -4.055 1.00 0.00 C ATOM 849 C ARG A 59 4.917 -0.876 -3.311 1.00 0.00 C ATOM 850 O ARG A 59 4.000 -0.737 -2.502 1.00 0.00 O ATOM 851 CB ARG A 59 6.717 0.861 -3.313 1.00 0.00 C ATOM 852 CG ARG A 59 6.485 1.071 -1.825 1.00 0.00 C ATOM 853 CD ARG A 59 7.790 1.324 -1.088 1.00 0.00 C ATOM 854 NE ARG A 59 8.509 2.475 -1.626 1.00 0.00 N ATOM 855 CZ ARG A 59 9.425 2.388 -2.585 1.00 0.00 C ATOM 856 NH1 ARG A 59 9.732 1.208 -3.107 1.00 0.00 N ATOM 857 NH2 ARG A 59 10.036 3.481 -3.022 1.00 0.00 N ATOM 0 H ARG A 59 4.216 1.821 -3.323 1.00 0.00 H new ATOM 0 HA ARG A 59 5.790 0.005 -5.053 1.00 0.00 H new ATOM 0 HB2 ARG A 59 7.545 0.165 -3.448 1.00 0.00 H new ATOM 0 HB3 ARG A 59 7.019 1.807 -3.762 1.00 0.00 H new ATOM 0 HG2 ARG A 59 5.812 1.916 -1.676 1.00 0.00 H new ATOM 0 HG3 ARG A 59 5.993 0.194 -1.405 1.00 0.00 H new ATOM 0 HD2 ARG A 59 7.583 1.488 -0.031 1.00 0.00 H new ATOM 0 HD3 ARG A 59 8.422 0.438 -1.155 1.00 0.00 H new ATOM 0 HE ARG A 59 8.297 3.397 -1.245 1.00 0.00 H new ATOM 0 HH11 ARG A 59 9.265 0.365 -2.773 1.00 0.00 H new ATOM 0 HH12 ARG A 59 10.435 1.143 -3.843 1.00 0.00 H new ATOM 0 HH21 ARG A 59 9.803 4.390 -2.622 1.00 0.00 H new ATOM 0 HH22 ARG A 59 10.739 3.413 -3.758 1.00 0.00 H new ATOM 871 N TRP A 60 5.463 -2.054 -3.591 1.00 0.00 N ATOM 872 CA TRP A 60 5.005 -3.281 -2.949 1.00 0.00 C ATOM 873 C TRP A 60 6.132 -4.303 -2.860 1.00 0.00 C ATOM 874 O TRP A 60 6.817 -4.572 -3.847 1.00 0.00 O ATOM 875 CB TRP A 60 3.823 -3.873 -3.718 1.00 0.00 C ATOM 876 CG TRP A 60 4.145 -4.197 -5.145 1.00 0.00 C ATOM 877 CD1 TRP A 60 4.575 -5.397 -5.636 1.00 0.00 C ATOM 878 CD2 TRP A 60 4.066 -3.309 -6.265 1.00 0.00 C ATOM 879 NE1 TRP A 60 4.768 -5.308 -6.993 1.00 0.00 N ATOM 880 CE2 TRP A 60 4.461 -4.038 -7.404 1.00 0.00 C ATOM 881 CE3 TRP A 60 3.697 -1.970 -6.418 1.00 0.00 C ATOM 882 CZ2 TRP A 60 4.499 -3.470 -8.675 1.00 0.00 C ATOM 883 CZ3 TRP A 60 3.735 -1.408 -7.680 1.00 0.00 C ATOM 884 CH2 TRP A 60 4.132 -2.157 -8.795 1.00 0.00 C ATOM 0 H TRP A 60 6.223 -2.186 -4.258 1.00 0.00 H new ATOM 0 HA TRP A 60 4.684 -3.033 -1.937 1.00 0.00 H new ATOM 0 HB2 TRP A 60 3.488 -4.780 -3.214 1.00 0.00 H new ATOM 0 HB3 TRP A 60 2.992 -3.168 -3.692 1.00 0.00 H new ATOM 0 HD1 TRP A 60 4.739 -6.285 -5.044 1.00 0.00 H new ATOM 0 HE1 TRP A 60 5.088 -6.065 -7.597 1.00 0.00 H new ATOM 0 HE3 TRP A 60 3.387 -1.384 -5.565 1.00 0.00 H new ATOM 0 HZ2 TRP A 60 4.807 -4.045 -9.536 1.00 0.00 H new ATOM 0 HZ3 TRP A 60 3.454 -0.373 -7.809 1.00 0.00 H new ATOM 0 HH2 TRP A 60 4.149 -1.689 -9.768 1.00 0.00 H new ATOM 895 N ARG A 61 6.320 -4.868 -1.672 1.00 0.00 N ATOM 896 CA ARG A 61 7.367 -5.860 -1.455 1.00 0.00 C ATOM 897 C ARG A 61 6.843 -7.030 -0.627 1.00 0.00 C ATOM 898 O ARG A 61 6.082 -6.842 0.323 1.00 0.00 O ATOM 899 CB ARG A 61 8.567 -5.222 -0.754 1.00 0.00 C ATOM 900 CG ARG A 61 9.866 -5.986 -0.953 1.00 0.00 C ATOM 901 CD ARG A 61 10.082 -7.013 0.147 1.00 0.00 C ATOM 902 NE ARG A 61 10.820 -6.457 1.278 1.00 0.00 N ATOM 903 CZ ARG A 61 12.142 -6.339 1.306 1.00 0.00 C ATOM 904 NH1 ARG A 61 12.869 -6.736 0.270 1.00 0.00 N ATOM 905 NH2 ARG A 61 12.741 -5.823 2.372 1.00 0.00 N ATOM 0 H ARG A 61 5.761 -4.656 -0.845 1.00 0.00 H new ATOM 0 HA ARG A 61 7.683 -6.237 -2.428 1.00 0.00 H new ATOM 0 HB2 ARG A 61 8.694 -4.204 -1.123 1.00 0.00 H new ATOM 0 HB3 ARG A 61 8.358 -5.150 0.313 1.00 0.00 H new ATOM 0 HG2 ARG A 61 9.851 -6.486 -1.921 1.00 0.00 H new ATOM 0 HG3 ARG A 61 10.702 -5.287 -0.969 1.00 0.00 H new ATOM 0 HD2 ARG A 61 9.117 -7.384 0.491 1.00 0.00 H new ATOM 0 HD3 ARG A 61 10.626 -7.867 -0.256 1.00 0.00 H new ATOM 0 HE ARG A 61 10.291 -6.142 2.091 1.00 0.00 H new ATOM 0 HH11 ARG A 61 12.412 -7.133 -0.551 1.00 0.00 H new ATOM 0 HH12 ARG A 61 13.885 -6.644 0.294 1.00 0.00 H new ATOM 0 HH21 ARG A 61 12.186 -5.517 3.171 1.00 0.00 H new ATOM 0 HH22 ARG A 61 13.757 -5.733 2.392 1.00 0.00 H new ATOM 919 N THR A 62 7.256 -8.240 -0.994 1.00 0.00 N ATOM 920 CA THR A 62 6.828 -9.440 -0.287 1.00 0.00 C ATOM 921 C THR A 62 6.770 -9.201 1.217 1.00 0.00 C ATOM 922 O THR A 62 7.627 -8.521 1.781 1.00 0.00 O ATOM 923 CB THR A 62 7.770 -10.625 -0.571 1.00 0.00 C ATOM 924 OG1 THR A 62 9.133 -10.194 -0.504 1.00 0.00 O ATOM 925 CG2 THR A 62 7.489 -11.224 -1.941 1.00 0.00 C ATOM 0 H THR A 62 7.886 -8.414 -1.777 1.00 0.00 H new ATOM 0 HA THR A 62 5.830 -9.683 -0.652 1.00 0.00 H new ATOM 0 HB THR A 62 7.594 -11.390 0.185 1.00 0.00 H new ATOM 0 HG1 THR A 62 9.726 -10.954 -0.684 1.00 0.00 H new ATOM 0 HG21 THR A 62 8.167 -12.059 -2.119 1.00 0.00 H new ATOM 0 HG22 THR A 62 6.459 -11.578 -1.979 1.00 0.00 H new ATOM 0 HG23 THR A 62 7.640 -10.464 -2.708 1.00 0.00 H new ATOM 933 N SER A 63 5.754 -9.765 1.863 1.00 0.00 N ATOM 934 CA SER A 63 5.583 -9.610 3.303 1.00 0.00 C ATOM 935 C SER A 63 6.230 -10.769 4.055 1.00 0.00 C ATOM 936 O SER A 63 5.910 -11.934 3.819 1.00 0.00 O ATOM 937 CB SER A 63 4.096 -9.527 3.655 1.00 0.00 C ATOM 938 OG SER A 63 3.640 -8.185 3.627 1.00 0.00 O ATOM 0 H SER A 63 5.037 -10.333 1.412 1.00 0.00 H new ATOM 0 HA SER A 63 6.074 -8.685 3.605 1.00 0.00 H new ATOM 0 HB2 SER A 63 3.518 -10.126 2.951 1.00 0.00 H new ATOM 0 HB3 SER A 63 3.929 -9.951 4.645 1.00 0.00 H new ATOM 0 HG SER A 63 2.687 -8.159 3.854 1.00 0.00 H new ATOM 1028 N TYR A 70 12.189 -4.125 -3.656 1.00 0.00 N ATOM 1029 CA TYR A 70 10.990 -3.297 -3.591 1.00 0.00 C ATOM 1030 C TYR A 70 10.629 -2.751 -4.968 1.00 0.00 C ATOM 1031 O TYR A 70 11.403 -2.015 -5.580 1.00 0.00 O ATOM 1032 CB TYR A 70 11.196 -2.142 -2.609 1.00 0.00 C ATOM 1033 CG TYR A 70 10.645 -2.415 -1.228 1.00 0.00 C ATOM 1034 CD1 TYR A 70 11.399 -3.095 -0.279 1.00 0.00 C ATOM 1035 CD2 TYR A 70 9.370 -1.993 -0.872 1.00 0.00 C ATOM 1036 CE1 TYR A 70 10.899 -3.347 0.983 1.00 0.00 C ATOM 1037 CE2 TYR A 70 8.862 -2.239 0.389 1.00 0.00 C ATOM 1038 CZ TYR A 70 9.630 -2.917 1.313 1.00 0.00 C ATOM 1039 OH TYR A 70 9.129 -3.165 2.570 1.00 0.00 O ATOM 0 HA TYR A 70 10.167 -3.920 -3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 70 12.262 -1.929 -2.530 1.00 0.00 H new ATOM 0 HB3 TYR A 70 10.721 -1.246 -3.010 1.00 0.00 H new ATOM 0 HD1 TYR A 70 12.393 -3.432 -0.533 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.766 -1.463 -1.594 1.00 0.00 H new ATOM 0 HE1 TYR A 70 11.498 -3.878 1.708 1.00 0.00 H new ATOM 0 HE2 TYR A 70 7.869 -1.903 0.650 1.00 0.00 H new ATOM 0 HH TYR A 70 8.224 -2.796 2.640 1.00 0.00 H new ATOM 1049 N LYS A 71 9.447 -3.117 -5.452 1.00 0.00 N ATOM 1050 CA LYS A 71 8.979 -2.664 -6.756 1.00 0.00 C ATOM 1051 C LYS A 71 7.991 -1.512 -6.609 1.00 0.00 C ATOM 1052 O LYS A 71 7.257 -1.433 -5.624 1.00 0.00 O ATOM 1053 CB LYS A 71 8.323 -3.820 -7.515 1.00 0.00 C ATOM 1054 CG LYS A 71 8.511 -3.743 -9.020 1.00 0.00 C ATOM 1055 CD LYS A 71 7.616 -4.734 -9.745 1.00 0.00 C ATOM 1056 CE LYS A 71 7.296 -4.266 -11.157 1.00 0.00 C ATOM 1057 NZ LYS A 71 8.297 -4.755 -12.144 1.00 0.00 N ATOM 0 H LYS A 71 8.795 -3.727 -4.959 1.00 0.00 H new ATOM 0 HA LYS A 71 9.841 -2.310 -7.321 1.00 0.00 H new ATOM 0 HB2 LYS A 71 8.736 -4.762 -7.153 1.00 0.00 H new ATOM 0 HB3 LYS A 71 7.256 -3.832 -7.291 1.00 0.00 H new ATOM 0 HG2 LYS A 71 8.290 -2.733 -9.364 1.00 0.00 H new ATOM 0 HG3 LYS A 71 9.553 -3.943 -9.268 1.00 0.00 H new ATOM 0 HD2 LYS A 71 8.106 -5.707 -9.785 1.00 0.00 H new ATOM 0 HD3 LYS A 71 6.690 -4.866 -9.186 1.00 0.00 H new ATOM 0 HE2 LYS A 71 6.304 -4.619 -11.440 1.00 0.00 H new ATOM 0 HE3 LYS A 71 7.265 -3.177 -11.180 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 8.043 -4.415 -13.093 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 9.240 -4.398 -11.889 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 8.308 -5.795 -12.141 1.00 0.00 H new ATOM 1071 N SER A 72 7.976 -0.621 -7.596 1.00 0.00 N ATOM 1072 CA SER A 72 7.079 0.528 -7.575 1.00 0.00 C ATOM 1073 C SER A 72 6.922 1.120 -8.973 1.00 0.00 C ATOM 1074 O SER A 72 7.740 0.874 -9.858 1.00 0.00 O ATOM 1075 CB SER A 72 7.605 1.595 -6.613 1.00 0.00 C ATOM 1076 OG SER A 72 8.881 2.062 -7.017 1.00 0.00 O ATOM 0 H SER A 72 8.575 -0.673 -8.420 1.00 0.00 H new ATOM 0 HA SER A 72 6.102 0.189 -7.231 1.00 0.00 H new ATOM 0 HB2 SER A 72 6.905 2.430 -6.573 1.00 0.00 H new ATOM 0 HB3 SER A 72 7.667 1.182 -5.606 1.00 0.00 H new ATOM 0 HG SER A 72 9.194 2.744 -6.387 1.00 0.00 H new ATOM 1082 N GLU A 73 5.863 1.901 -9.162 1.00 0.00 N ATOM 1083 CA GLU A 73 5.597 2.527 -10.452 1.00 0.00 C ATOM 1084 C GLU A 73 5.009 3.924 -10.268 1.00 0.00 C ATOM 1085 O GLU A 73 4.355 4.206 -9.264 1.00 0.00 O ATOM 1086 CB GLU A 73 4.640 1.663 -11.276 1.00 0.00 C ATOM 1087 CG GLU A 73 5.327 0.523 -12.008 1.00 0.00 C ATOM 1088 CD GLU A 73 6.686 0.914 -12.554 1.00 0.00 C ATOM 1089 OE1 GLU A 73 6.786 1.992 -13.177 1.00 0.00 O ATOM 1090 OE2 GLU A 73 7.649 0.144 -12.357 1.00 0.00 O ATOM 0 H GLU A 73 5.176 2.115 -8.439 1.00 0.00 H new ATOM 0 HA GLU A 73 6.543 2.617 -10.985 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.876 1.252 -10.616 1.00 0.00 H new ATOM 0 HB3 GLU A 73 4.128 2.294 -12.003 1.00 0.00 H new ATOM 0 HG2 GLU A 73 5.442 -0.322 -11.329 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.692 0.189 -12.829 1.00 0.00 H new ATOM 1097 N ASP A 74 5.249 4.793 -11.243 1.00 0.00 N ATOM 1098 CA ASP A 74 4.744 6.160 -11.191 1.00 0.00 C ATOM 1099 C ASP A 74 3.405 6.273 -11.914 1.00 0.00 C ATOM 1100 O ASP A 74 3.291 5.924 -13.090 1.00 0.00 O ATOM 1101 CB ASP A 74 5.756 7.125 -11.810 1.00 0.00 C ATOM 1102 CG ASP A 74 5.529 7.326 -13.296 1.00 0.00 C ATOM 1103 OD1 ASP A 74 4.547 8.006 -13.659 1.00 0.00 O ATOM 1104 OD2 ASP A 74 6.333 6.803 -14.095 1.00 0.00 O ATOM 0 H ASP A 74 5.790 4.575 -12.080 1.00 0.00 H new ATOM 0 HA ASP A 74 4.595 6.426 -10.145 1.00 0.00 H new ATOM 0 HB2 ASP A 74 5.694 8.088 -11.302 1.00 0.00 H new ATOM 0 HB3 ASP A 74 6.764 6.744 -11.648 1.00 0.00 H new ATOM 1109 N THR A 75 2.393 6.761 -11.204 1.00 0.00 N ATOM 1110 CA THR A 75 1.063 6.918 -11.776 1.00 0.00 C ATOM 1111 C THR A 75 0.433 8.239 -11.350 1.00 0.00 C ATOM 1112 O THR A 75 0.680 8.731 -10.248 1.00 0.00 O ATOM 1113 CB THR A 75 0.133 5.762 -11.362 1.00 0.00 C ATOM 1114 OG1 THR A 75 -1.055 5.778 -12.162 1.00 0.00 O ATOM 1115 CG2 THR A 75 -0.240 5.868 -9.891 1.00 0.00 C ATOM 0 H THR A 75 2.470 7.055 -10.230 1.00 0.00 H new ATOM 0 HA THR A 75 1.182 6.908 -12.859 1.00 0.00 H new ATOM 0 HB THR A 75 0.665 4.824 -11.520 1.00 0.00 H new ATOM 0 HG1 THR A 75 -1.835 5.920 -11.586 1.00 0.00 H new ATOM 0 HG21 THR A 75 -0.897 5.041 -9.622 1.00 0.00 H new ATOM 0 HG22 THR A 75 0.663 5.826 -9.283 1.00 0.00 H new ATOM 0 HG23 THR A 75 -0.754 6.813 -9.713 1.00 0.00 H new ATOM 1123 N THR A 76 -0.384 8.812 -12.230 1.00 0.00 N ATOM 1124 CA THR A 76 -1.049 10.077 -11.945 1.00 0.00 C ATOM 1125 C THR A 76 -2.501 9.855 -11.539 1.00 0.00 C ATOM 1126 O THR A 76 -3.327 10.763 -11.630 1.00 0.00 O ATOM 1127 CB THR A 76 -1.006 11.020 -13.162 1.00 0.00 C ATOM 1128 OG1 THR A 76 -1.618 10.390 -14.293 1.00 0.00 O ATOM 1129 CG2 THR A 76 0.427 11.401 -13.501 1.00 0.00 C ATOM 0 H THR A 76 -0.600 8.419 -13.146 1.00 0.00 H new ATOM 0 HA THR A 76 -0.510 10.539 -11.118 1.00 0.00 H new ATOM 0 HB THR A 76 -1.556 11.927 -12.910 1.00 0.00 H new ATOM 0 HG1 THR A 76 -1.588 10.997 -15.062 1.00 0.00 H new ATOM 0 HG21 THR A 76 0.432 12.067 -14.364 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.880 11.907 -12.649 1.00 0.00 H new ATOM 0 HG23 THR A 76 0.997 10.502 -13.734 1.00 0.00 H new ATOM 1137 N SER A 77 -2.807 8.641 -11.091 1.00 0.00 N ATOM 1138 CA SER A 77 -4.162 8.299 -10.674 1.00 0.00 C ATOM 1139 C SER A 77 -4.191 7.891 -9.204 1.00 0.00 C ATOM 1140 O SER A 77 -3.155 7.849 -8.538 1.00 0.00 O ATOM 1141 CB SER A 77 -4.714 7.167 -11.541 1.00 0.00 C ATOM 1142 OG SER A 77 -3.815 6.073 -11.585 1.00 0.00 O ATOM 0 H SER A 77 -2.135 7.878 -11.008 1.00 0.00 H new ATOM 0 HA SER A 77 -4.789 9.182 -10.800 1.00 0.00 H new ATOM 0 HB2 SER A 77 -5.674 6.837 -11.145 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.895 7.534 -12.551 1.00 0.00 H new ATOM 0 HG SER A 77 -4.199 5.314 -11.098 1.00 0.00 H new ATOM 1148 N LEU A 78 -5.384 7.590 -8.704 1.00 0.00 N ATOM 1149 CA LEU A 78 -5.550 7.183 -7.313 1.00 0.00 C ATOM 1150 C LEU A 78 -5.720 5.672 -7.203 1.00 0.00 C ATOM 1151 O LEU A 78 -6.146 5.158 -6.169 1.00 0.00 O ATOM 1152 CB LEU A 78 -6.758 7.890 -6.695 1.00 0.00 C ATOM 1153 CG LEU A 78 -6.632 9.403 -6.515 1.00 0.00 C ATOM 1154 CD1 LEU A 78 -7.944 9.994 -6.026 1.00 0.00 C ATOM 1155 CD2 LEU A 78 -5.503 9.732 -5.549 1.00 0.00 C ATOM 0 H LEU A 78 -6.251 7.620 -9.241 1.00 0.00 H new ATOM 0 HA LEU A 78 -4.651 7.469 -6.768 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -7.629 7.690 -7.319 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -6.955 7.444 -5.720 1.00 0.00 H new ATOM 0 HG LEU A 78 -6.397 9.847 -7.482 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.835 11.072 -5.904 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -8.729 9.789 -6.754 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.211 9.546 -5.069 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -5.427 10.813 -5.432 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -5.708 9.276 -4.580 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -4.563 9.343 -5.941 1.00 0.00 H new ATOM 1167 N SER A 79 -5.381 4.964 -8.276 1.00 0.00 N ATOM 1168 CA SER A 79 -5.497 3.511 -8.301 1.00 0.00 C ATOM 1169 C SER A 79 -4.455 2.898 -9.232 1.00 0.00 C ATOM 1170 O SER A 79 -4.203 3.411 -10.323 1.00 0.00 O ATOM 1171 CB SER A 79 -6.901 3.098 -8.748 1.00 0.00 C ATOM 1172 OG SER A 79 -7.202 3.617 -10.031 1.00 0.00 O ATOM 0 H SER A 79 -5.024 5.373 -9.139 1.00 0.00 H new ATOM 0 HA SER A 79 -5.320 3.140 -7.291 1.00 0.00 H new ATOM 0 HB2 SER A 79 -6.975 2.011 -8.766 1.00 0.00 H new ATOM 0 HB3 SER A 79 -7.635 3.456 -8.026 1.00 0.00 H new ATOM 0 HG SER A 79 -8.104 3.337 -10.294 1.00 0.00 H new ATOM 1178 N TYR A 80 -3.852 1.799 -8.793 1.00 0.00 N ATOM 1179 CA TYR A 80 -2.835 1.117 -9.585 1.00 0.00 C ATOM 1180 C TYR A 80 -3.020 -0.396 -9.522 1.00 0.00 C ATOM 1181 O TYR A 80 -3.360 -0.950 -8.477 1.00 0.00 O ATOM 1182 CB TYR A 80 -1.437 1.492 -9.090 1.00 0.00 C ATOM 1183 CG TYR A 80 -0.330 0.699 -9.746 1.00 0.00 C ATOM 1184 CD1 TYR A 80 0.033 -0.553 -9.266 1.00 0.00 C ATOM 1185 CD2 TYR A 80 0.354 1.202 -10.846 1.00 0.00 C ATOM 1186 CE1 TYR A 80 1.045 -1.281 -9.862 1.00 0.00 C ATOM 1187 CE2 TYR A 80 1.366 0.481 -11.449 1.00 0.00 C ATOM 1188 CZ TYR A 80 1.708 -0.760 -10.953 1.00 0.00 C ATOM 1189 OH TYR A 80 2.716 -1.482 -11.550 1.00 0.00 O ATOM 0 H TYR A 80 -4.050 1.361 -7.893 1.00 0.00 H new ATOM 0 HA TYR A 80 -2.944 1.436 -10.622 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.269 2.554 -9.272 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -1.390 1.342 -8.011 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.485 -0.965 -8.412 1.00 0.00 H new ATOM 0 HD2 TYR A 80 0.090 2.174 -11.236 1.00 0.00 H new ATOM 0 HE1 TYR A 80 1.315 -2.253 -9.475 1.00 0.00 H new ATOM 0 HE2 TYR A 80 1.887 0.886 -12.304 1.00 0.00 H new ATOM 0 HH TYR A 80 2.919 -2.272 -11.007 1.00 0.00 H new ATOM 1199 N THR A 81 -2.792 -1.061 -10.651 1.00 0.00 N ATOM 1200 CA THR A 81 -2.933 -2.509 -10.727 1.00 0.00 C ATOM 1201 C THR A 81 -1.573 -3.197 -10.692 1.00 0.00 C ATOM 1202 O THR A 81 -0.764 -3.040 -11.606 1.00 0.00 O ATOM 1203 CB THR A 81 -3.679 -2.935 -12.006 1.00 0.00 C ATOM 1204 OG1 THR A 81 -4.769 -2.042 -12.258 1.00 0.00 O ATOM 1205 CG2 THR A 81 -4.201 -4.358 -11.880 1.00 0.00 C ATOM 0 H THR A 81 -2.509 -0.619 -11.525 1.00 0.00 H new ATOM 0 HA THR A 81 -3.514 -2.816 -9.857 1.00 0.00 H new ATOM 0 HB THR A 81 -2.977 -2.895 -12.839 1.00 0.00 H new ATOM 0 HG1 THR A 81 -5.237 -2.319 -13.073 1.00 0.00 H new ATOM 0 HG21 THR A 81 -4.724 -4.636 -12.795 1.00 0.00 H new ATOM 0 HG22 THR A 81 -3.365 -5.039 -11.718 1.00 0.00 H new ATOM 0 HG23 THR A 81 -4.888 -4.420 -11.036 1.00 0.00 H new ATOM 1213 N ALA A 82 -1.328 -3.960 -9.632 1.00 0.00 N ATOM 1214 CA ALA A 82 -0.067 -4.674 -9.480 1.00 0.00 C ATOM 1215 C ALA A 82 -0.128 -6.045 -10.145 1.00 0.00 C ATOM 1216 O ALA A 82 -0.657 -7.000 -9.576 1.00 0.00 O ATOM 1217 CB ALA A 82 0.286 -4.815 -8.007 1.00 0.00 C ATOM 0 H ALA A 82 -1.987 -4.099 -8.866 1.00 0.00 H new ATOM 0 HA ALA A 82 0.712 -4.094 -9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 82 1.230 -5.350 -7.909 1.00 0.00 H new ATOM 0 HB2 ALA A 82 0.381 -3.826 -7.559 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -0.501 -5.370 -7.496 1.00 0.00 H new ATOM 1223 N THR A 83 0.415 -6.136 -11.355 1.00 0.00 N ATOM 1224 CA THR A 83 0.420 -7.389 -12.098 1.00 0.00 C ATOM 1225 C THR A 83 1.786 -8.063 -12.031 1.00 0.00 C ATOM 1226 O THR A 83 2.808 -7.400 -11.862 1.00 0.00 O ATOM 1227 CB THR A 83 0.042 -7.169 -13.575 1.00 0.00 C ATOM 1228 OG1 THR A 83 1.048 -6.386 -14.227 1.00 0.00 O ATOM 1229 CG2 THR A 83 -1.304 -6.469 -13.690 1.00 0.00 C ATOM 0 H THR A 83 0.857 -5.356 -11.841 1.00 0.00 H new ATOM 0 HA THR A 83 -0.325 -8.034 -11.632 1.00 0.00 H new ATOM 0 HB THR A 83 -0.029 -8.144 -14.058 1.00 0.00 H new ATOM 0 HG1 THR A 83 0.801 -6.252 -15.166 1.00 0.00 H new ATOM 0 HG21 THR A 83 -1.550 -6.324 -14.742 1.00 0.00 H new ATOM 0 HG22 THR A 83 -2.073 -7.080 -13.218 1.00 0.00 H new ATOM 0 HG23 THR A 83 -1.254 -5.500 -13.192 1.00 0.00 H new ATOM 1237 N GLY A 84 1.796 -9.386 -12.165 1.00 0.00 N ATOM 1238 CA GLY A 84 3.043 -10.127 -12.117 1.00 0.00 C ATOM 1239 C GLY A 84 3.533 -10.346 -10.700 1.00 0.00 C ATOM 1240 O GLY A 84 4.692 -10.071 -10.387 1.00 0.00 O ATOM 0 H GLY A 84 0.963 -9.958 -12.306 1.00 0.00 H new ATOM 0 HA2 GLY A 84 2.907 -11.092 -12.604 1.00 0.00 H new ATOM 0 HA3 GLY A 84 3.804 -9.589 -12.682 1.00 0.00 H new ATOM 1244 N LEU A 85 2.650 -10.840 -9.839 1.00 0.00 N ATOM 1245 CA LEU A 85 2.999 -11.093 -8.446 1.00 0.00 C ATOM 1246 C LEU A 85 2.947 -12.586 -8.135 1.00 0.00 C ATOM 1247 O LEU A 85 2.388 -13.372 -8.900 1.00 0.00 O ATOM 1248 CB LEU A 85 2.051 -10.334 -7.516 1.00 0.00 C ATOM 1249 CG LEU A 85 1.479 -9.026 -8.063 1.00 0.00 C ATOM 1250 CD1 LEU A 85 0.218 -8.637 -7.307 1.00 0.00 C ATOM 1251 CD2 LEU A 85 2.516 -7.915 -7.980 1.00 0.00 C ATOM 0 H LEU A 85 1.687 -11.073 -10.081 1.00 0.00 H new ATOM 0 HA LEU A 85 4.018 -10.741 -8.282 1.00 0.00 H new ATOM 0 HB2 LEU A 85 1.220 -10.992 -7.261 1.00 0.00 H new ATOM 0 HB3 LEU A 85 2.581 -10.116 -6.589 1.00 0.00 H new ATOM 0 HG LEU A 85 1.218 -9.176 -9.111 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -0.175 -7.704 -7.710 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -0.529 -9.423 -7.417 1.00 0.00 H new ATOM 0 HD13 LEU A 85 0.453 -8.505 -6.251 1.00 0.00 H new ATOM 0 HD21 LEU A 85 2.092 -6.991 -8.374 1.00 0.00 H new ATOM 0 HD22 LEU A 85 2.808 -7.766 -6.940 1.00 0.00 H new ATOM 0 HD23 LEU A 85 3.392 -8.191 -8.567 1.00 0.00 H new ATOM 1263 N LYS A 86 3.532 -12.970 -7.005 1.00 0.00 N ATOM 1264 CA LYS A 86 3.551 -14.367 -6.589 1.00 0.00 C ATOM 1265 C LYS A 86 2.187 -14.795 -6.057 1.00 0.00 C ATOM 1266 O LYS A 86 1.567 -14.107 -5.246 1.00 0.00 O ATOM 1267 CB LYS A 86 4.620 -14.588 -5.517 1.00 0.00 C ATOM 1268 CG LYS A 86 5.033 -16.041 -5.359 1.00 0.00 C ATOM 1269 CD LYS A 86 6.337 -16.170 -4.590 1.00 0.00 C ATOM 1270 CE LYS A 86 6.101 -16.161 -3.088 1.00 0.00 C ATOM 1271 NZ LYS A 86 7.359 -16.404 -2.328 1.00 0.00 N ATOM 0 H LYS A 86 4.000 -12.332 -6.361 1.00 0.00 H new ATOM 0 HA LYS A 86 3.789 -14.976 -7.461 1.00 0.00 H new ATOM 0 HB2 LYS A 86 5.500 -13.994 -5.765 1.00 0.00 H new ATOM 0 HB3 LYS A 86 4.246 -14.220 -4.562 1.00 0.00 H new ATOM 0 HG2 LYS A 86 4.247 -16.589 -4.839 1.00 0.00 H new ATOM 0 HG3 LYS A 86 5.143 -16.498 -6.342 1.00 0.00 H new ATOM 0 HD2 LYS A 86 6.839 -17.095 -4.875 1.00 0.00 H new ATOM 0 HD3 LYS A 86 7.002 -15.350 -4.860 1.00 0.00 H new ATOM 0 HE2 LYS A 86 5.678 -15.201 -2.793 1.00 0.00 H new ATOM 0 HE3 LYS A 86 5.368 -16.925 -2.831 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.157 -16.390 -1.308 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 7.750 -17.331 -2.591 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 8.050 -15.660 -2.554 1.00 0.00 H new ATOM 1285 N PRO A 87 1.707 -15.958 -6.521 1.00 0.00 N ATOM 1286 CA PRO A 87 0.412 -16.504 -6.103 1.00 0.00 C ATOM 1287 C PRO A 87 0.423 -16.975 -4.653 1.00 0.00 C ATOM 1288 O PRO A 87 1.476 -17.288 -4.100 1.00 0.00 O ATOM 1289 CB PRO A 87 0.206 -17.690 -7.049 1.00 0.00 C ATOM 1290 CG PRO A 87 1.581 -18.096 -7.454 1.00 0.00 C ATOM 1291 CD PRO A 87 2.392 -16.831 -7.490 1.00 0.00 C ATOM 0 HA PRO A 87 -0.381 -15.758 -6.153 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -0.317 -18.507 -6.552 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -0.394 -17.407 -7.914 1.00 0.00 H new ATOM 0 HG2 PRO A 87 2.002 -18.809 -6.746 1.00 0.00 H new ATOM 0 HG3 PRO A 87 1.573 -18.582 -8.429 1.00 0.00 H new ATOM 0 HD2 PRO A 87 3.429 -17.010 -7.206 1.00 0.00 H new ATOM 0 HD3 PRO A 87 2.406 -16.391 -8.487 1.00 0.00 H new ATOM 1299 N ASN A 88 -0.757 -17.022 -4.042 1.00 0.00 N ATOM 1300 CA ASN A 88 -0.883 -17.454 -2.655 1.00 0.00 C ATOM 1301 C ASN A 88 0.164 -16.777 -1.777 1.00 0.00 C ATOM 1302 O ASN A 88 0.747 -17.403 -0.891 1.00 0.00 O ATOM 1303 CB ASN A 88 -0.740 -18.975 -2.559 1.00 0.00 C ATOM 1304 CG ASN A 88 0.640 -19.453 -2.968 1.00 0.00 C ATOM 1305 OD1 ASN A 88 0.761 -19.919 -4.205 1.00 0.00 O flip ATOM 1306 ND2 ASN A 88 1.585 -19.404 -2.180 1.00 0.00 N flip ATOM 0 H ASN A 88 -1.639 -16.766 -4.486 1.00 0.00 H new ATOM 0 HA ASN A 88 -1.872 -17.165 -2.298 1.00 0.00 H new ATOM 0 HB2 ASN A 88 -0.943 -19.292 -1.536 1.00 0.00 H new ATOM 0 HB3 ASN A 88 -1.489 -19.448 -3.194 1.00 0.00 H new ATOM 0 HD21 ASN A 88 1.445 -19.038 -1.238 1.00 0.00 H new ATOM 0 HD22 ASN A 88 2.507 -19.730 -2.469 1.00 0.00 H new ATOM 1313 N THR A 89 0.399 -15.493 -2.028 1.00 0.00 N ATOM 1314 CA THR A 89 1.376 -14.730 -1.262 1.00 0.00 C ATOM 1315 C THR A 89 0.907 -13.295 -1.047 1.00 0.00 C ATOM 1316 O THR A 89 0.397 -12.655 -1.966 1.00 0.00 O ATOM 1317 CB THR A 89 2.748 -14.710 -1.962 1.00 0.00 C ATOM 1318 OG1 THR A 89 3.202 -16.049 -2.188 1.00 0.00 O ATOM 1319 CG2 THR A 89 3.771 -13.956 -1.126 1.00 0.00 C ATOM 0 H THR A 89 -0.075 -14.959 -2.757 1.00 0.00 H new ATOM 0 HA THR A 89 1.477 -15.225 -0.296 1.00 0.00 H new ATOM 0 HB THR A 89 2.636 -14.199 -2.918 1.00 0.00 H new ATOM 0 HG1 THR A 89 2.627 -16.482 -2.853 1.00 0.00 H new ATOM 0 HG21 THR A 89 4.732 -13.955 -1.641 1.00 0.00 H new ATOM 0 HG22 THR A 89 3.436 -12.929 -0.981 1.00 0.00 H new ATOM 0 HG23 THR A 89 3.879 -14.443 -0.157 1.00 0.00 H new ATOM 1327 N MET A 90 1.084 -12.796 0.172 1.00 0.00 N ATOM 1328 CA MET A 90 0.680 -11.436 0.506 1.00 0.00 C ATOM 1329 C MET A 90 1.897 -10.527 0.649 1.00 0.00 C ATOM 1330 O MET A 90 2.986 -10.982 1.002 1.00 0.00 O ATOM 1331 CB MET A 90 -0.133 -11.426 1.802 1.00 0.00 C ATOM 1332 CG MET A 90 -0.504 -10.030 2.277 1.00 0.00 C ATOM 1333 SD MET A 90 -1.454 -10.047 3.809 1.00 0.00 S ATOM 1334 CE MET A 90 -0.260 -10.754 4.940 1.00 0.00 C ATOM 0 H MET A 90 1.504 -13.313 0.944 1.00 0.00 H new ATOM 0 HA MET A 90 0.059 -11.058 -0.307 1.00 0.00 H new ATOM 0 HB2 MET A 90 -1.045 -12.004 1.654 1.00 0.00 H new ATOM 0 HB3 MET A 90 0.439 -11.927 2.583 1.00 0.00 H new ATOM 0 HG2 MET A 90 0.405 -9.447 2.424 1.00 0.00 H new ATOM 0 HG3 MET A 90 -1.082 -9.528 1.501 1.00 0.00 H new ATOM 0 HE1 MET A 90 -0.561 -10.542 5.966 1.00 0.00 H new ATOM 0 HE2 MET A 90 -0.213 -11.833 4.791 1.00 0.00 H new ATOM 0 HE3 MET A 90 0.721 -10.318 4.752 1.00 0.00 H new ATOM 1344 N TYR A 91 1.706 -9.242 0.373 1.00 0.00 N ATOM 1345 CA TYR A 91 2.789 -8.270 0.468 1.00 0.00 C ATOM 1346 C TYR A 91 2.300 -6.970 1.099 1.00 0.00 C ATOM 1347 O TYR A 91 1.139 -6.855 1.489 1.00 0.00 O ATOM 1348 CB TYR A 91 3.374 -7.990 -0.917 1.00 0.00 C ATOM 1349 CG TYR A 91 2.935 -8.981 -1.972 1.00 0.00 C ATOM 1350 CD1 TYR A 91 3.239 -10.331 -1.854 1.00 0.00 C ATOM 1351 CD2 TYR A 91 2.216 -8.566 -3.086 1.00 0.00 C ATOM 1352 CE1 TYR A 91 2.841 -11.240 -2.815 1.00 0.00 C ATOM 1353 CE2 TYR A 91 1.813 -9.468 -4.052 1.00 0.00 C ATOM 1354 CZ TYR A 91 2.128 -10.804 -3.912 1.00 0.00 C ATOM 1355 OH TYR A 91 1.728 -11.705 -4.872 1.00 0.00 O ATOM 0 H TYR A 91 0.811 -8.849 0.082 1.00 0.00 H new ATOM 0 HA TYR A 91 3.567 -8.691 1.105 1.00 0.00 H new ATOM 0 HB2 TYR A 91 3.083 -6.987 -1.229 1.00 0.00 H new ATOM 0 HB3 TYR A 91 4.462 -8.000 -0.851 1.00 0.00 H new ATOM 0 HD1 TYR A 91 3.796 -10.676 -0.996 1.00 0.00 H new ATOM 0 HD2 TYR A 91 1.968 -7.521 -3.199 1.00 0.00 H new ATOM 0 HE1 TYR A 91 3.087 -12.286 -2.708 1.00 0.00 H new ATOM 0 HE2 TYR A 91 1.254 -9.129 -4.912 1.00 0.00 H new ATOM 0 HH TYR A 91 1.782 -12.614 -4.510 1.00 0.00 H new ATOM 1365 N GLU A 92 3.197 -5.993 1.195 1.00 0.00 N ATOM 1366 CA GLU A 92 2.858 -4.700 1.778 1.00 0.00 C ATOM 1367 C GLU A 92 2.627 -3.656 0.690 1.00 0.00 C ATOM 1368 O GLU A 92 3.459 -3.477 -0.201 1.00 0.00 O ATOM 1369 CB GLU A 92 3.969 -4.234 2.721 1.00 0.00 C ATOM 1370 CG GLU A 92 4.129 -2.724 2.773 1.00 0.00 C ATOM 1371 CD GLU A 92 4.937 -2.264 3.971 1.00 0.00 C ATOM 1372 OE1 GLU A 92 5.643 -3.103 4.569 1.00 0.00 O ATOM 1373 OE2 GLU A 92 4.863 -1.064 4.310 1.00 0.00 O ATOM 0 H GLU A 92 4.163 -6.072 0.877 1.00 0.00 H new ATOM 0 HA GLU A 92 1.935 -4.817 2.346 1.00 0.00 H new ATOM 0 HB2 GLU A 92 3.761 -4.604 3.725 1.00 0.00 H new ATOM 0 HB3 GLU A 92 4.912 -4.680 2.406 1.00 0.00 H new ATOM 0 HG2 GLU A 92 4.615 -2.382 1.859 1.00 0.00 H new ATOM 0 HG3 GLU A 92 3.144 -2.259 2.804 1.00 0.00 H new ATOM 1380 N PHE A 93 1.493 -2.968 0.768 1.00 0.00 N ATOM 1381 CA PHE A 93 1.151 -1.942 -0.210 1.00 0.00 C ATOM 1382 C PHE A 93 0.971 -0.586 0.465 1.00 0.00 C ATOM 1383 O PHE A 93 0.436 -0.497 1.570 1.00 0.00 O ATOM 1384 CB PHE A 93 -0.126 -2.326 -0.959 1.00 0.00 C ATOM 1385 CG PHE A 93 0.038 -3.526 -1.849 1.00 0.00 C ATOM 1386 CD1 PHE A 93 -0.018 -4.807 -1.324 1.00 0.00 C ATOM 1387 CD2 PHE A 93 0.247 -3.372 -3.209 1.00 0.00 C ATOM 1388 CE1 PHE A 93 0.133 -5.912 -2.140 1.00 0.00 C ATOM 1389 CE2 PHE A 93 0.399 -4.473 -4.031 1.00 0.00 C ATOM 1390 CZ PHE A 93 0.341 -5.745 -3.495 1.00 0.00 C ATOM 0 H PHE A 93 0.795 -3.103 1.499 1.00 0.00 H new ATOM 0 HA PHE A 93 1.972 -1.867 -0.923 1.00 0.00 H new ATOM 0 HB2 PHE A 93 -0.916 -2.526 -0.235 1.00 0.00 H new ATOM 0 HB3 PHE A 93 -0.453 -1.479 -1.562 1.00 0.00 H new ATOM 0 HD1 PHE A 93 -0.181 -4.943 -0.265 1.00 0.00 H new ATOM 0 HD2 PHE A 93 0.292 -2.380 -3.633 1.00 0.00 H new ATOM 0 HE1 PHE A 93 0.088 -6.905 -1.718 1.00 0.00 H new ATOM 0 HE2 PHE A 93 0.563 -4.339 -5.090 1.00 0.00 H new ATOM 0 HZ PHE A 93 0.458 -6.607 -4.135 1.00 0.00 H new ATOM 1400 N SER A 94 1.421 0.468 -0.208 1.00 0.00 N ATOM 1401 CA SER A 94 1.313 1.820 0.327 1.00 0.00 C ATOM 1402 C SER A 94 1.292 2.850 -0.798 1.00 0.00 C ATOM 1403 O SER A 94 1.364 2.501 -1.977 1.00 0.00 O ATOM 1404 CB SER A 94 2.478 2.110 1.276 1.00 0.00 C ATOM 1405 OG SER A 94 3.715 2.088 0.587 1.00 0.00 O ATOM 0 H SER A 94 1.864 0.412 -1.125 1.00 0.00 H new ATOM 0 HA SER A 94 0.376 1.891 0.879 1.00 0.00 H new ATOM 0 HB2 SER A 94 2.336 3.084 1.744 1.00 0.00 H new ATOM 0 HB3 SER A 94 2.491 1.371 2.077 1.00 0.00 H new ATOM 0 HG SER A 94 4.093 2.992 0.564 1.00 0.00 H new ATOM 1411 N VAL A 95 1.192 4.122 -0.426 1.00 0.00 N ATOM 1412 CA VAL A 95 1.162 5.205 -1.402 1.00 0.00 C ATOM 1413 C VAL A 95 1.839 6.457 -0.856 1.00 0.00 C ATOM 1414 O VAL A 95 1.935 6.643 0.357 1.00 0.00 O ATOM 1415 CB VAL A 95 -0.281 5.551 -1.812 1.00 0.00 C ATOM 1416 CG1 VAL A 95 -0.287 6.587 -2.926 1.00 0.00 C ATOM 1417 CG2 VAL A 95 -1.030 4.297 -2.235 1.00 0.00 C ATOM 0 H VAL A 95 1.130 4.428 0.545 1.00 0.00 H new ATOM 0 HA VAL A 95 1.707 4.855 -2.279 1.00 0.00 H new ATOM 0 HB VAL A 95 -0.792 5.978 -0.949 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -1.316 6.819 -3.202 1.00 0.00 H new ATOM 0 HG12 VAL A 95 0.209 7.494 -2.582 1.00 0.00 H new ATOM 0 HG13 VAL A 95 0.241 6.191 -3.794 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -2.048 4.561 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -0.522 3.838 -3.083 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.058 3.592 -1.404 1.00 0.00 H new ATOM 1427 N MET A 96 2.305 7.313 -1.759 1.00 0.00 N ATOM 1428 CA MET A 96 2.971 8.550 -1.367 1.00 0.00 C ATOM 1429 C MET A 96 2.734 9.647 -2.400 1.00 0.00 C ATOM 1430 O MET A 96 2.003 9.450 -3.372 1.00 0.00 O ATOM 1431 CB MET A 96 4.472 8.313 -1.192 1.00 0.00 C ATOM 1432 CG MET A 96 5.102 7.541 -2.340 1.00 0.00 C ATOM 1433 SD MET A 96 6.882 7.803 -2.459 1.00 0.00 S ATOM 1434 CE MET A 96 6.943 9.561 -2.799 1.00 0.00 C ATOM 0 H MET A 96 2.234 7.173 -2.767 1.00 0.00 H new ATOM 0 HA MET A 96 2.549 8.875 -0.416 1.00 0.00 H new ATOM 0 HB2 MET A 96 4.975 9.275 -1.093 1.00 0.00 H new ATOM 0 HB3 MET A 96 4.640 7.768 -0.263 1.00 0.00 H new ATOM 0 HG2 MET A 96 4.903 6.477 -2.210 1.00 0.00 H new ATOM 0 HG3 MET A 96 4.631 7.841 -3.276 1.00 0.00 H new ATOM 0 HE1 MET A 96 7.795 9.778 -3.444 1.00 0.00 H new ATOM 0 HE2 MET A 96 6.023 9.867 -3.298 1.00 0.00 H new ATOM 0 HE3 MET A 96 7.048 10.109 -1.863 1.00 0.00 H new ATOM 1444 N VAL A 97 3.356 10.801 -2.184 1.00 0.00 N ATOM 1445 CA VAL A 97 3.213 11.929 -3.098 1.00 0.00 C ATOM 1446 C VAL A 97 4.487 12.764 -3.143 1.00 0.00 C ATOM 1447 O VAL A 97 5.193 12.896 -2.143 1.00 0.00 O ATOM 1448 CB VAL A 97 2.034 12.833 -2.693 1.00 0.00 C ATOM 1449 CG1 VAL A 97 2.110 13.180 -1.214 1.00 0.00 C ATOM 1450 CG2 VAL A 97 2.013 14.093 -3.545 1.00 0.00 C ATOM 0 H VAL A 97 3.964 10.980 -1.385 1.00 0.00 H new ATOM 0 HA VAL A 97 3.019 11.513 -4.087 1.00 0.00 H new ATOM 0 HB VAL A 97 1.105 12.289 -2.866 1.00 0.00 H new ATOM 0 HG11 VAL A 97 1.269 13.819 -0.947 1.00 0.00 H new ATOM 0 HG12 VAL A 97 2.072 12.265 -0.623 1.00 0.00 H new ATOM 0 HG13 VAL A 97 3.043 13.705 -1.011 1.00 0.00 H new ATOM 0 HG21 VAL A 97 1.174 14.721 -3.246 1.00 0.00 H new ATOM 0 HG22 VAL A 97 2.944 14.642 -3.406 1.00 0.00 H new ATOM 0 HG23 VAL A 97 1.906 13.821 -4.595 1.00 0.00 H new ATOM 1460 N THR A 98 4.778 13.328 -4.312 1.00 0.00 N ATOM 1461 CA THR A 98 5.968 14.151 -4.488 1.00 0.00 C ATOM 1462 C THR A 98 5.600 15.558 -4.945 1.00 0.00 C ATOM 1463 O THR A 98 5.351 15.793 -6.127 1.00 0.00 O ATOM 1464 CB THR A 98 6.934 13.527 -5.513 1.00 0.00 C ATOM 1465 OG1 THR A 98 7.409 12.265 -5.032 1.00 0.00 O ATOM 1466 CG2 THR A 98 8.114 14.451 -5.776 1.00 0.00 C ATOM 0 H THR A 98 4.206 13.229 -5.150 1.00 0.00 H new ATOM 0 HA THR A 98 6.463 14.205 -3.518 1.00 0.00 H new ATOM 0 HB THR A 98 6.392 13.379 -6.447 1.00 0.00 H new ATOM 0 HG1 THR A 98 8.021 11.874 -5.690 1.00 0.00 H new ATOM 0 HG21 THR A 98 8.783 13.990 -6.503 1.00 0.00 H new ATOM 0 HG22 THR A 98 7.752 15.401 -6.168 1.00 0.00 H new ATOM 0 HG23 THR A 98 8.654 14.625 -4.845 1.00 0.00 H new ATOM 1474 N LYS A 99 5.570 16.492 -4.001 1.00 0.00 N ATOM 1475 CA LYS A 99 5.235 17.878 -4.305 1.00 0.00 C ATOM 1476 C LYS A 99 6.350 18.818 -3.859 1.00 0.00 C ATOM 1477 O LYS A 99 7.072 18.531 -2.905 1.00 0.00 O ATOM 1478 CB LYS A 99 3.921 18.269 -3.624 1.00 0.00 C ATOM 1479 CG LYS A 99 3.287 19.523 -4.200 1.00 0.00 C ATOM 1480 CD LYS A 99 2.427 20.236 -3.170 1.00 0.00 C ATOM 1481 CE LYS A 99 1.089 19.539 -2.982 1.00 0.00 C ATOM 1482 NZ LYS A 99 1.177 18.427 -1.995 1.00 0.00 N ATOM 0 H LYS A 99 5.774 16.314 -3.018 1.00 0.00 H new ATOM 0 HA LYS A 99 5.118 17.968 -5.385 1.00 0.00 H new ATOM 0 HB2 LYS A 99 3.216 17.442 -3.712 1.00 0.00 H new ATOM 0 HB3 LYS A 99 4.104 18.420 -2.560 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.067 20.197 -4.553 1.00 0.00 H new ATOM 0 HG3 LYS A 99 2.678 19.260 -5.065 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.955 20.274 -2.217 1.00 0.00 H new ATOM 0 HD3 LYS A 99 2.261 21.266 -3.484 1.00 0.00 H new ATOM 0 HE2 LYS A 99 0.346 20.263 -2.648 1.00 0.00 H new ATOM 0 HE3 LYS A 99 0.745 19.148 -3.940 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 0.240 18.259 -1.577 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 1.503 17.563 -2.473 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 1.850 18.682 -1.244 1.00 0.00 H new ATOM 1496 N ASN A 100 6.484 19.943 -4.555 1.00 0.00 N ATOM 1497 CA ASN A 100 7.511 20.926 -4.229 1.00 0.00 C ATOM 1498 C ASN A 100 8.906 20.337 -4.416 1.00 0.00 C ATOM 1499 O ASN A 100 9.824 20.636 -3.653 1.00 0.00 O ATOM 1500 CB ASN A 100 7.341 21.414 -2.789 1.00 0.00 C ATOM 1501 CG ASN A 100 6.435 22.627 -2.693 1.00 0.00 C ATOM 1502 OD1 ASN A 100 6.871 23.712 -2.308 1.00 0.00 O ATOM 1503 ND2 ASN A 100 5.167 22.447 -3.044 1.00 0.00 N ATOM 0 H ASN A 100 5.894 20.196 -5.348 1.00 0.00 H new ATOM 0 HA ASN A 100 7.398 21.771 -4.908 1.00 0.00 H new ATOM 0 HB2 ASN A 100 6.930 20.608 -2.181 1.00 0.00 H new ATOM 0 HB3 ASN A 100 8.318 21.660 -2.374 1.00 0.00 H new ATOM 0 HD21 ASN A 100 4.510 23.226 -3.000 1.00 0.00 H new ATOM 0 HD22 ASN A 100 4.850 21.530 -3.357 1.00 0.00 H new ATOM 1510 N ARG A 101 9.057 19.500 -5.437 1.00 0.00 N ATOM 1511 CA ARG A 101 10.339 18.869 -5.725 1.00 0.00 C ATOM 1512 C ARG A 101 10.803 18.019 -4.546 1.00 0.00 C ATOM 1513 O ARG A 101 12.000 17.800 -4.359 1.00 0.00 O ATOM 1514 CB ARG A 101 11.392 19.930 -6.049 1.00 0.00 C ATOM 1515 CG ARG A 101 11.070 20.750 -7.287 1.00 0.00 C ATOM 1516 CD ARG A 101 12.331 21.292 -7.940 1.00 0.00 C ATOM 1517 NE ARG A 101 12.030 22.240 -9.010 1.00 0.00 N ATOM 1518 CZ ARG A 101 12.898 22.579 -9.957 1.00 0.00 C ATOM 1519 NH1 ARG A 101 14.114 22.051 -9.967 1.00 0.00 N ATOM 1520 NH2 ARG A 101 12.549 23.449 -10.897 1.00 0.00 N ATOM 0 H ARG A 101 8.307 19.243 -6.079 1.00 0.00 H new ATOM 0 HA ARG A 101 10.210 18.219 -6.591 1.00 0.00 H new ATOM 0 HB2 ARG A 101 11.494 20.601 -5.196 1.00 0.00 H new ATOM 0 HB3 ARG A 101 12.357 19.442 -6.188 1.00 0.00 H new ATOM 0 HG2 ARG A 101 10.525 20.133 -8.002 1.00 0.00 H new ATOM 0 HG3 ARG A 101 10.415 21.578 -7.016 1.00 0.00 H new ATOM 0 HD2 ARG A 101 12.948 21.781 -7.186 1.00 0.00 H new ATOM 0 HD3 ARG A 101 12.915 20.464 -8.343 1.00 0.00 H new ATOM 0 HE ARG A 101 11.103 22.665 -9.031 1.00 0.00 H new ATOM 0 HH11 ARG A 101 14.386 21.382 -9.246 1.00 0.00 H new ATOM 0 HH12 ARG A 101 14.778 22.313 -10.695 1.00 0.00 H new ATOM 0 HH21 ARG A 101 11.614 23.857 -10.892 1.00 0.00 H new ATOM 0 HH22 ARG A 101 13.216 23.709 -11.624 1.00 0.00 H new ATOM 1534 N ARG A 102 9.848 17.544 -3.753 1.00 0.00 N ATOM 1535 CA ARG A 102 10.159 16.720 -2.591 1.00 0.00 C ATOM 1536 C ARG A 102 9.147 15.588 -2.440 1.00 0.00 C ATOM 1537 O ARG A 102 7.974 15.741 -2.781 1.00 0.00 O ATOM 1538 CB ARG A 102 10.177 17.575 -1.323 1.00 0.00 C ATOM 1539 CG ARG A 102 8.807 18.096 -0.920 1.00 0.00 C ATOM 1540 CD ARG A 102 8.720 18.335 0.579 1.00 0.00 C ATOM 1541 NE ARG A 102 7.712 19.337 0.916 1.00 0.00 N ATOM 1542 CZ ARG A 102 7.803 20.616 0.570 1.00 0.00 C ATOM 1543 NH1 ARG A 102 8.851 21.047 -0.119 1.00 0.00 N ATOM 1544 NH2 ARG A 102 6.845 21.467 0.914 1.00 0.00 N ATOM 0 H ARG A 102 8.852 17.716 -3.894 1.00 0.00 H new ATOM 0 HA ARG A 102 11.146 16.283 -2.741 1.00 0.00 H new ATOM 0 HB2 ARG A 102 10.588 16.985 -0.503 1.00 0.00 H new ATOM 0 HB3 ARG A 102 10.848 18.421 -1.475 1.00 0.00 H new ATOM 0 HG2 ARG A 102 8.600 19.026 -1.450 1.00 0.00 H new ATOM 0 HG3 ARG A 102 8.042 17.380 -1.220 1.00 0.00 H new ATOM 0 HD2 ARG A 102 8.482 17.398 1.082 1.00 0.00 H new ATOM 0 HD3 ARG A 102 9.692 18.659 0.951 1.00 0.00 H new ATOM 0 HE ARG A 102 6.893 19.038 1.446 1.00 0.00 H new ATOM 0 HH11 ARG A 102 9.590 20.396 -0.385 1.00 0.00 H new ATOM 0 HH12 ARG A 102 8.918 22.030 -0.383 1.00 0.00 H new ATOM 0 HH21 ARG A 102 6.038 21.139 1.445 1.00 0.00 H new ATOM 0 HH22 ARG A 102 6.916 22.449 0.648 1.00 0.00 H new ATOM 1558 N SER A 103 9.609 14.452 -1.929 1.00 0.00 N ATOM 1559 CA SER A 103 8.746 13.292 -1.737 1.00 0.00 C ATOM 1560 C SER A 103 8.364 13.137 -0.268 1.00 0.00 C ATOM 1561 O SER A 103 9.221 13.166 0.614 1.00 0.00 O ATOM 1562 CB SER A 103 9.443 12.023 -2.232 1.00 0.00 C ATOM 1563 OG SER A 103 10.560 11.706 -1.420 1.00 0.00 O ATOM 0 H SER A 103 10.577 14.310 -1.640 1.00 0.00 H new ATOM 0 HA SER A 103 7.836 13.447 -2.317 1.00 0.00 H new ATOM 0 HB2 SER A 103 8.738 11.192 -2.227 1.00 0.00 H new ATOM 0 HB3 SER A 103 9.767 12.161 -3.264 1.00 0.00 H new ATOM 0 HG SER A 103 10.484 12.173 -0.562 1.00 0.00 H new ATOM 1569 N SER A 104 7.069 12.971 -0.015 1.00 0.00 N ATOM 1570 CA SER A 104 6.571 12.815 1.347 1.00 0.00 C ATOM 1571 C SER A 104 6.653 11.357 1.791 1.00 0.00 C ATOM 1572 O SER A 104 7.169 10.503 1.069 1.00 0.00 O ATOM 1573 CB SER A 104 5.127 13.309 1.444 1.00 0.00 C ATOM 1574 OG SER A 104 4.220 12.330 0.965 1.00 0.00 O ATOM 0 H SER A 104 6.347 12.941 -0.735 1.00 0.00 H new ATOM 0 HA SER A 104 7.197 13.414 2.008 1.00 0.00 H new ATOM 0 HB2 SER A 104 4.891 13.552 2.480 1.00 0.00 H new ATOM 0 HB3 SER A 104 5.014 14.227 0.868 1.00 0.00 H new ATOM 0 HG SER A 104 3.303 12.599 1.184 1.00 0.00 H new ATOM 1580 N THR A 105 6.141 11.080 2.986 1.00 0.00 N ATOM 1581 CA THR A 105 6.157 9.727 3.529 1.00 0.00 C ATOM 1582 C THR A 105 5.019 8.891 2.955 1.00 0.00 C ATOM 1583 O THR A 105 4.058 9.429 2.404 1.00 0.00 O ATOM 1584 CB THR A 105 6.047 9.737 5.065 1.00 0.00 C ATOM 1585 OG1 THR A 105 6.260 8.418 5.580 1.00 0.00 O ATOM 1586 CG2 THR A 105 4.682 10.245 5.507 1.00 0.00 C ATOM 0 H THR A 105 5.710 11.774 3.596 1.00 0.00 H new ATOM 0 HA THR A 105 7.111 9.283 3.243 1.00 0.00 H new ATOM 0 HB THR A 105 6.811 10.408 5.457 1.00 0.00 H new ATOM 0 HG1 THR A 105 6.190 8.433 6.557 1.00 0.00 H new ATOM 0 HG21 THR A 105 4.628 10.243 6.596 1.00 0.00 H new ATOM 0 HG22 THR A 105 4.535 11.260 5.138 1.00 0.00 H new ATOM 0 HG23 THR A 105 3.904 9.596 5.104 1.00 0.00 H new ATOM 1594 N TRP A 106 5.133 7.575 3.088 1.00 0.00 N ATOM 1595 CA TRP A 106 4.112 6.664 2.582 1.00 0.00 C ATOM 1596 C TRP A 106 2.968 6.520 3.580 1.00 0.00 C ATOM 1597 O TRP A 106 3.176 6.598 4.791 1.00 0.00 O ATOM 1598 CB TRP A 106 4.723 5.293 2.287 1.00 0.00 C ATOM 1599 CG TRP A 106 5.740 5.321 1.186 1.00 0.00 C ATOM 1600 CD1 TRP A 106 7.042 5.722 1.282 1.00 0.00 C ATOM 1601 CD2 TRP A 106 5.537 4.934 -0.178 1.00 0.00 C ATOM 1602 NE1 TRP A 106 7.661 5.607 0.061 1.00 0.00 N ATOM 1603 CE2 TRP A 106 6.760 5.125 -0.851 1.00 0.00 C ATOM 1604 CE3 TRP A 106 4.443 4.442 -0.895 1.00 0.00 C ATOM 1605 CZ2 TRP A 106 6.915 4.843 -2.206 1.00 0.00 C ATOM 1606 CZ3 TRP A 106 4.599 4.163 -2.239 1.00 0.00 C ATOM 1607 CH2 TRP A 106 5.827 4.363 -2.883 1.00 0.00 C ATOM 0 H TRP A 106 5.922 7.114 3.542 1.00 0.00 H new ATOM 0 HA TRP A 106 3.713 7.083 1.658 1.00 0.00 H new ATOM 0 HB2 TRP A 106 5.190 4.908 3.194 1.00 0.00 H new ATOM 0 HB3 TRP A 106 3.927 4.598 2.019 1.00 0.00 H new ATOM 0 HD1 TRP A 106 7.515 6.077 2.185 1.00 0.00 H new ATOM 0 HE1 TRP A 106 8.634 5.842 -0.135 1.00 0.00 H new ATOM 0 HE3 TRP A 106 3.493 4.283 -0.407 1.00 0.00 H new ATOM 0 HZ2 TRP A 106 7.860 4.998 -2.705 1.00 0.00 H new ATOM 0 HZ3 TRP A 106 3.760 3.784 -2.803 1.00 0.00 H new ATOM 0 HH2 TRP A 106 5.917 4.134 -3.935 1.00 0.00 H new ATOM 1618 N SER A 107 1.761 6.310 3.064 1.00 0.00 N ATOM 1619 CA SER A 107 0.584 6.159 3.911 1.00 0.00 C ATOM 1620 C SER A 107 0.569 4.788 4.580 1.00 0.00 C ATOM 1621 O SER A 107 1.517 4.015 4.456 1.00 0.00 O ATOM 1622 CB SER A 107 -0.691 6.352 3.087 1.00 0.00 C ATOM 1623 OG SER A 107 -0.770 5.400 2.040 1.00 0.00 O ATOM 0 H SER A 107 1.573 6.241 2.064 1.00 0.00 H new ATOM 0 HA SER A 107 0.625 6.922 4.688 1.00 0.00 H new ATOM 0 HB2 SER A 107 -1.563 6.259 3.734 1.00 0.00 H new ATOM 0 HB3 SER A 107 -0.709 7.359 2.670 1.00 0.00 H new ATOM 0 HG SER A 107 -0.339 5.761 1.237 1.00 0.00 H new ATOM 1629 N MET A 108 -0.516 4.495 5.289 1.00 0.00 N ATOM 1630 CA MET A 108 -0.657 3.218 5.978 1.00 0.00 C ATOM 1631 C MET A 108 -0.445 2.055 5.014 1.00 0.00 C ATOM 1632 O MET A 108 -0.662 2.186 3.808 1.00 0.00 O ATOM 1633 CB MET A 108 -2.039 3.113 6.626 1.00 0.00 C ATOM 1634 CG MET A 108 -3.186 3.238 5.637 1.00 0.00 C ATOM 1635 SD MET A 108 -3.436 1.737 4.669 1.00 0.00 S ATOM 1636 CE MET A 108 -4.877 1.048 5.480 1.00 0.00 C ATOM 0 H MET A 108 -1.310 5.125 5.401 1.00 0.00 H new ATOM 0 HA MET A 108 0.105 3.167 6.756 1.00 0.00 H new ATOM 0 HB2 MET A 108 -2.118 2.156 7.141 1.00 0.00 H new ATOM 0 HB3 MET A 108 -2.136 3.891 7.383 1.00 0.00 H new ATOM 0 HG2 MET A 108 -4.103 3.474 6.178 1.00 0.00 H new ATOM 0 HG3 MET A 108 -2.990 4.072 4.963 1.00 0.00 H new ATOM 0 HE1 MET A 108 -5.156 0.113 4.994 1.00 0.00 H new ATOM 0 HE2 MET A 108 -4.648 0.857 6.529 1.00 0.00 H new ATOM 0 HE3 MET A 108 -5.705 1.754 5.412 1.00 0.00 H new ATOM 1646 N THR A 109 -0.021 0.915 5.551 1.00 0.00 N ATOM 1647 CA THR A 109 0.221 -0.270 4.739 1.00 0.00 C ATOM 1648 C THR A 109 -1.041 -1.114 4.608 1.00 0.00 C ATOM 1649 O THR A 109 -1.660 -1.482 5.607 1.00 0.00 O ATOM 1650 CB THR A 109 1.347 -1.138 5.333 1.00 0.00 C ATOM 1651 OG1 THR A 109 2.582 -0.414 5.320 1.00 0.00 O ATOM 1652 CG2 THR A 109 1.503 -2.432 4.549 1.00 0.00 C ATOM 0 H THR A 109 0.162 0.788 6.546 1.00 0.00 H new ATOM 0 HA THR A 109 0.524 0.080 3.752 1.00 0.00 H new ATOM 0 HB THR A 109 1.082 -1.385 6.361 1.00 0.00 H new ATOM 0 HG1 THR A 109 3.133 -0.720 4.569 1.00 0.00 H new ATOM 0 HG21 THR A 109 2.304 -3.028 4.987 1.00 0.00 H new ATOM 0 HG22 THR A 109 0.570 -2.994 4.586 1.00 0.00 H new ATOM 0 HG23 THR A 109 1.747 -2.202 3.512 1.00 0.00 H new ATOM 1660 N ALA A 110 -1.418 -1.420 3.371 1.00 0.00 N ATOM 1661 CA ALA A 110 -2.605 -2.224 3.110 1.00 0.00 C ATOM 1662 C ALA A 110 -2.231 -3.664 2.777 1.00 0.00 C ATOM 1663 O ALA A 110 -1.594 -3.930 1.757 1.00 0.00 O ATOM 1664 CB ALA A 110 -3.419 -1.612 1.979 1.00 0.00 C ATOM 0 H ALA A 110 -0.918 -1.123 2.533 1.00 0.00 H new ATOM 0 HA ALA A 110 -3.212 -2.235 4.015 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -4.303 -2.223 1.795 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -3.726 -0.604 2.256 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -2.812 -1.570 1.075 1.00 0.00 H new ATOM 1670 N HIS A 111 -2.630 -4.590 3.643 1.00 0.00 N ATOM 1671 CA HIS A 111 -2.336 -6.004 3.439 1.00 0.00 C ATOM 1672 C HIS A 111 -3.418 -6.668 2.594 1.00 0.00 C ATOM 1673 O HIS A 111 -4.607 -6.403 2.771 1.00 0.00 O ATOM 1674 CB HIS A 111 -2.212 -6.720 4.785 1.00 0.00 C ATOM 1675 CG HIS A 111 -0.871 -6.554 5.430 1.00 0.00 C ATOM 1676 ND1 HIS A 111 0.292 -6.364 4.713 1.00 0.00 N ATOM 1677 CD2 HIS A 111 -0.511 -6.549 6.735 1.00 0.00 C ATOM 1678 CE1 HIS A 111 1.309 -6.251 5.548 1.00 0.00 C ATOM 1679 NE2 HIS A 111 0.849 -6.360 6.782 1.00 0.00 N ATOM 0 H HIS A 111 -3.157 -4.387 4.492 1.00 0.00 H new ATOM 0 HA HIS A 111 -1.388 -6.079 2.907 1.00 0.00 H new ATOM 0 HB2 HIS A 111 -2.980 -6.343 5.460 1.00 0.00 H new ATOM 0 HB3 HIS A 111 -2.408 -7.783 4.641 1.00 0.00 H new ATOM 0 HD2 HIS A 111 -1.170 -6.671 7.582 1.00 0.00 H new ATOM 0 HE1 HIS A 111 2.341 -6.096 5.270 1.00 0.00 H new ATOM 0 HE2 HIS A 111 1.412 -6.312 7.631 1.00 0.00 H new ATOM 1688 N ALA A 112 -2.999 -7.532 1.675 1.00 0.00 N ATOM 1689 CA ALA A 112 -3.932 -8.234 0.804 1.00 0.00 C ATOM 1690 C ALA A 112 -3.258 -9.415 0.114 1.00 0.00 C ATOM 1691 O ALA A 112 -2.394 -9.236 -0.745 1.00 0.00 O ATOM 1692 CB ALA A 112 -4.512 -7.279 -0.228 1.00 0.00 C ATOM 0 H ALA A 112 -2.018 -7.762 1.515 1.00 0.00 H new ATOM 0 HA ALA A 112 -4.743 -8.622 1.421 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -5.207 -7.818 -0.872 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -5.039 -6.471 0.280 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -3.706 -6.863 -0.832 1.00 0.00 H new ATOM 1698 N THR A 113 -3.656 -10.625 0.497 1.00 0.00 N ATOM 1699 CA THR A 113 -3.088 -11.835 -0.083 1.00 0.00 C ATOM 1700 C THR A 113 -3.710 -12.137 -1.442 1.00 0.00 C ATOM 1701 O THR A 113 -4.864 -11.795 -1.699 1.00 0.00 O ATOM 1702 CB THR A 113 -3.290 -13.050 0.843 1.00 0.00 C ATOM 1703 OG1 THR A 113 -3.164 -12.649 2.211 1.00 0.00 O ATOM 1704 CG2 THR A 113 -2.276 -14.140 0.533 1.00 0.00 C ATOM 0 H THR A 113 -4.370 -10.792 1.206 1.00 0.00 H new ATOM 0 HA THR A 113 -2.020 -11.655 -0.207 1.00 0.00 H new ATOM 0 HB THR A 113 -4.291 -13.447 0.672 1.00 0.00 H new ATOM 0 HG1 THR A 113 -3.295 -13.426 2.793 1.00 0.00 H new ATOM 0 HG21 THR A 113 -2.438 -14.988 1.199 1.00 0.00 H new ATOM 0 HG22 THR A 113 -2.394 -14.463 -0.501 1.00 0.00 H new ATOM 0 HG23 THR A 113 -1.268 -13.751 0.679 1.00 0.00 H new ATOM 1712 N THR A 114 -2.937 -12.782 -2.311 1.00 0.00 N ATOM 1713 CA THR A 114 -3.411 -13.130 -3.644 1.00 0.00 C ATOM 1714 C THR A 114 -4.083 -14.498 -3.649 1.00 0.00 C ATOM 1715 O THR A 114 -3.873 -15.307 -2.744 1.00 0.00 O ATOM 1716 CB THR A 114 -2.260 -13.133 -4.667 1.00 0.00 C ATOM 1717 OG1 THR A 114 -1.126 -13.820 -4.127 1.00 0.00 O ATOM 1718 CG2 THR A 114 -1.866 -11.712 -5.043 1.00 0.00 C ATOM 0 H THR A 114 -1.980 -13.074 -2.115 1.00 0.00 H new ATOM 0 HA THR A 114 -4.138 -12.370 -3.929 1.00 0.00 H new ATOM 0 HB THR A 114 -2.603 -13.648 -5.564 1.00 0.00 H new ATOM 0 HG1 THR A 114 -0.364 -13.721 -4.735 1.00 0.00 H new ATOM 0 HG21 THR A 114 -1.051 -11.740 -5.767 1.00 0.00 H new ATOM 0 HG22 THR A 114 -2.723 -11.201 -5.481 1.00 0.00 H new ATOM 0 HG23 THR A 114 -1.541 -11.176 -4.151 1.00 0.00 H new ATOM 1726 N TYR A 115 -4.892 -14.751 -4.672 1.00 0.00 N ATOM 1727 CA TYR A 115 -5.596 -16.022 -4.793 1.00 0.00 C ATOM 1728 C TYR A 115 -4.626 -17.154 -5.117 1.00 0.00 C ATOM 1729 O TYR A 115 -3.627 -16.951 -5.806 1.00 0.00 O ATOM 1730 CB TYR A 115 -6.673 -15.931 -5.876 1.00 0.00 C ATOM 1731 CG TYR A 115 -7.658 -14.805 -5.658 1.00 0.00 C ATOM 1732 CD1 TYR A 115 -8.813 -15.001 -4.912 1.00 0.00 C ATOM 1733 CD2 TYR A 115 -7.432 -13.545 -6.198 1.00 0.00 C ATOM 1734 CE1 TYR A 115 -9.716 -13.975 -4.712 1.00 0.00 C ATOM 1735 CE2 TYR A 115 -8.328 -12.512 -6.001 1.00 0.00 C ATOM 1736 CZ TYR A 115 -9.469 -12.732 -5.258 1.00 0.00 C ATOM 1737 OH TYR A 115 -10.365 -11.707 -5.059 1.00 0.00 O ATOM 0 H TYR A 115 -5.076 -14.093 -5.429 1.00 0.00 H new ATOM 0 HA TYR A 115 -6.070 -16.238 -3.836 1.00 0.00 H new ATOM 0 HB2 TYR A 115 -6.192 -15.799 -6.845 1.00 0.00 H new ATOM 0 HB3 TYR A 115 -7.216 -16.875 -5.916 1.00 0.00 H new ATOM 0 HD1 TYR A 115 -9.008 -15.972 -4.481 1.00 0.00 H new ATOM 0 HD2 TYR A 115 -6.540 -13.370 -6.782 1.00 0.00 H new ATOM 0 HE1 TYR A 115 -10.611 -14.145 -4.131 1.00 0.00 H new ATOM 0 HE2 TYR A 115 -8.136 -11.538 -6.426 1.00 0.00 H new ATOM 0 HH TYR A 115 -9.964 -10.861 -5.349 1.00 0.00 H new ATOM 1747 N GLU A 116 -4.930 -18.347 -4.616 1.00 0.00 N ATOM 1748 CA GLU A 116 -4.086 -19.512 -4.852 1.00 0.00 C ATOM 1749 C GLU A 116 -4.140 -19.936 -6.317 1.00 0.00 C ATOM 1750 O GLU A 116 -5.180 -20.373 -6.809 1.00 0.00 O ATOM 1751 CB GLU A 116 -4.520 -20.674 -3.956 1.00 0.00 C ATOM 1752 CG GLU A 116 -3.376 -21.588 -3.548 1.00 0.00 C ATOM 1753 CD GLU A 116 -3.853 -22.825 -2.811 1.00 0.00 C ATOM 1754 OE1 GLU A 116 -4.824 -23.456 -3.276 1.00 0.00 O ATOM 1755 OE2 GLU A 116 -3.253 -23.161 -1.768 1.00 0.00 O ATOM 0 H GLU A 116 -5.754 -18.532 -4.044 1.00 0.00 H new ATOM 0 HA GLU A 116 -3.059 -19.240 -4.609 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -4.992 -20.273 -3.059 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -5.275 -21.262 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -2.822 -21.890 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -2.683 -21.036 -2.913 1.00 0.00 H new ATOM 1762 N ALA A 117 -3.013 -19.802 -7.008 1.00 0.00 N ATOM 1763 CA ALA A 117 -2.932 -20.172 -8.415 1.00 0.00 C ATOM 1764 C ALA A 117 -3.341 -21.626 -8.625 1.00 0.00 C ATOM 1765 O ALA A 117 -3.614 -22.349 -7.667 1.00 0.00 O ATOM 1766 CB ALA A 117 -1.524 -19.937 -8.942 1.00 0.00 C ATOM 0 H ALA A 117 -2.144 -19.440 -6.616 1.00 0.00 H new ATOM 0 HA ALA A 117 -3.627 -19.543 -8.971 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -1.478 -20.218 -9.994 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -1.267 -18.883 -8.836 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -0.817 -20.542 -8.374 1.00 0.00 H new