USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 697 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 125 GLN : amide:sc= -1.63! K(o=-3.3!,f=0.91) USER MOD Set 1.2: A 127 TYR OH : rot 80:sc= -1.66! USER MOD Set 2.1: A 117 THR OG1 : rot -5:sc= -1.96 USER MOD Set 2.2: A 118 GLN : amide:sc= -12.4! C(o=-14!,f=-11!) USER MOD Set 3.1: A 102 HIS : no HD1:sc= -2.8 K(o=-3.7,f=-11!) USER MOD Set 3.2: A 107 GLN : amide:sc= -0.922 X(o=-3.7,f=-3.3) USER MOD Set 4.1: A 88 SER OG : rot 73:sc= -2.92! USER MOD Set 4.2: A 89 HIS : no HD1:sc= -3.27! C(o=-6.2!,f=-13!) USER MOD Single : A 79 MET CE :methyl 147:sc= 0 (180deg=-0.0302) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.24! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -135:sc= 1.08 (180deg=-1.26) USER MOD Single : A 92 LYS NZ :NH3+ -154:sc= 0 (180deg=-0.412) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.416 K(o=-0.42,f=-2.7!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.186 K(o=-0.19,f=-1.5) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -1.92 K(o=-1.9,f=-0.15) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -129:sc= 0.188 USER MOD Single : A 142 CYS SG : rot 70:sc= -7.41! USER MOD Single : A 143 TYR OH : rot -84:sc= 0.671 USER MOD Single : A 144 LYS NZ :NH3+ -153:sc= -0.205 (180deg=-1.4) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -2.7! C(o=-2.7!,f=-2.9!) USER MOD Single : A 193 HIS : no HD1:sc= -2.74! C(o=-2.7!,f=-8.3!) USER MOD Single : A 194 MET CE :methyl 155:sc= 0 (180deg=-0.255) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.900 -0.150 -9.213 1.00 1.04 N ATOM 275 CA VAL A 74 20.089 -0.597 -8.427 1.00 0.93 C ATOM 276 C VAL A 74 20.079 -2.128 -8.430 1.00 0.86 C ATOM 277 O VAL A 74 19.039 -2.724 -8.627 1.00 0.89 O ATOM 278 CB VAL A 74 19.969 -0.074 -6.986 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.408 1.391 -6.931 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.516 -0.186 -6.525 1.00 1.38 C ATOM 0 HA VAL A 74 21.016 -0.217 -8.857 1.00 0.93 H new ATOM 0 HB VAL A 74 20.608 -0.667 -6.332 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.322 1.759 -5.908 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.444 1.473 -7.260 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.771 1.986 -7.585 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.429 0.184 -5.504 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.879 0.407 -7.182 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.202 -1.229 -6.561 1.00 1.38 H new ATOM 290 N PRO A 75 21.207 -2.773 -8.225 1.00 0.93 N ATOM 291 CA PRO A 75 21.281 -4.260 -8.214 1.00 1.00 C ATOM 292 C PRO A 75 20.000 -4.896 -7.661 1.00 0.88 C ATOM 293 O PRO A 75 19.607 -4.658 -6.536 1.00 0.84 O ATOM 294 CB PRO A 75 22.477 -4.522 -7.306 1.00 1.18 C ATOM 295 CG PRO A 75 23.415 -3.382 -7.588 1.00 1.37 C ATOM 296 CD PRO A 75 22.537 -2.176 -7.990 1.00 1.13 C ATOM 0 HA PRO A 75 21.386 -4.692 -9.209 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.182 -4.544 -6.257 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.941 -5.483 -7.527 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.015 -3.148 -6.709 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.109 -3.640 -8.388 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.505 -1.424 -7.202 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.918 -1.684 -8.885 1.00 1.13 H new ATOM 304 N LEU A 76 19.331 -5.675 -8.467 1.00 0.86 N ATOM 305 CA LEU A 76 18.050 -6.302 -8.024 1.00 0.77 C ATOM 306 C LEU A 76 18.282 -7.193 -6.803 1.00 0.77 C ATOM 307 O LEU A 76 18.678 -8.336 -6.919 1.00 0.85 O ATOM 308 CB LEU A 76 17.475 -7.153 -9.164 1.00 0.84 C ATOM 309 CG LEU A 76 17.118 -6.268 -10.370 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.824 -7.161 -11.581 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.877 -5.407 -10.058 1.00 0.76 C ATOM 0 H LEU A 76 19.617 -5.906 -9.418 1.00 0.86 H new ATOM 0 HA LEU A 76 17.350 -5.510 -7.758 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.201 -7.909 -9.463 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.587 -7.682 -8.818 1.00 0.84 H new ATOM 0 HG LEU A 76 17.958 -5.608 -10.586 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.570 -6.539 -12.439 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.705 -7.759 -11.814 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.988 -7.821 -11.352 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.638 -4.787 -10.922 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.031 -6.056 -9.832 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.084 -4.769 -9.199 1.00 0.76 H new ATOM 323 N ARG A 77 18.013 -6.683 -5.631 1.00 0.74 N ATOM 324 CA ARG A 77 18.187 -7.500 -4.396 1.00 0.79 C ATOM 325 C ARG A 77 16.923 -8.350 -4.193 1.00 0.71 C ATOM 326 O ARG A 77 15.850 -7.968 -4.618 1.00 0.73 O ATOM 327 CB ARG A 77 18.385 -6.567 -3.195 1.00 0.85 C ATOM 328 CG ARG A 77 19.826 -6.043 -3.183 1.00 1.19 C ATOM 329 CD ARG A 77 20.062 -5.213 -1.919 1.00 1.52 C ATOM 330 NE ARG A 77 20.205 -6.121 -0.747 1.00 2.13 N ATOM 331 CZ ARG A 77 20.716 -5.671 0.368 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.112 -4.431 0.449 1.00 2.73 N ATOM 333 NH2 ARG A 77 20.834 -6.463 1.397 1.00 3.61 N ATOM 0 H ARG A 77 17.679 -5.732 -5.476 1.00 0.74 H new ATOM 0 HA ARG A 77 19.058 -8.149 -4.489 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.685 -5.734 -3.250 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.174 -7.101 -2.268 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.527 -6.877 -3.218 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.010 -5.435 -4.069 1.00 1.19 H new ATOM 0 HD2 ARG A 77 20.959 -4.605 -2.033 1.00 1.52 H new ATOM 0 HD3 ARG A 77 19.230 -4.527 -1.761 1.00 1.52 H new ATOM 0 HE ARG A 77 19.904 -7.093 -0.815 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.023 -3.813 -0.358 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.511 -4.079 1.319 1.00 2.73 H new ATOM 0 HH21 ARG A 77 20.527 -7.434 1.331 1.00 3.61 H new ATOM 0 HH22 ARG A 77 21.233 -6.112 2.268 1.00 3.61 H new ATOM 347 N PRO A 78 17.032 -9.491 -3.554 1.00 0.79 N ATOM 348 CA PRO A 78 15.856 -10.382 -3.309 1.00 0.76 C ATOM 349 C PRO A 78 14.919 -9.821 -2.231 1.00 0.67 C ATOM 350 O PRO A 78 15.310 -9.616 -1.100 1.00 0.69 O ATOM 351 CB PRO A 78 16.497 -11.699 -2.848 1.00 0.86 C ATOM 352 CG PRO A 78 17.790 -11.291 -2.216 1.00 1.18 C ATOM 353 CD PRO A 78 18.273 -10.063 -2.995 1.00 1.06 C ATOM 0 HA PRO A 78 15.230 -10.491 -4.195 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.857 -12.224 -2.138 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.662 -12.374 -3.688 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.651 -11.054 -1.161 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.521 -12.098 -2.268 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.784 -9.352 -2.345 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.976 -10.339 -3.781 1.00 1.06 H new ATOM 361 N MET A 79 13.683 -9.573 -2.576 1.00 0.65 N ATOM 362 CA MET A 79 12.723 -9.031 -1.572 1.00 0.61 C ATOM 363 C MET A 79 12.486 -10.084 -0.487 1.00 0.51 C ATOM 364 O MET A 79 11.907 -11.122 -0.735 1.00 0.56 O ATOM 365 CB MET A 79 11.398 -8.693 -2.267 1.00 0.66 C ATOM 366 CG MET A 79 10.501 -7.909 -1.308 1.00 0.74 C ATOM 367 SD MET A 79 11.187 -6.252 -1.058 1.00 1.25 S ATOM 368 CE MET A 79 9.671 -5.465 -0.462 1.00 0.83 C ATOM 0 H MET A 79 13.298 -9.722 -3.509 1.00 0.65 H new ATOM 0 HA MET A 79 13.130 -8.128 -1.118 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.587 -8.106 -3.166 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.898 -9.608 -2.583 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.491 -7.839 -1.713 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.426 -8.431 -0.354 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.923 -4.695 0.267 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.143 -5.011 -1.301 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.032 -6.214 0.007 1.00 0.83 H new ATOM 378 N THR A 80 12.946 -9.835 0.712 1.00 0.56 N ATOM 379 CA THR A 80 12.765 -10.833 1.808 1.00 0.60 C ATOM 380 C THR A 80 11.437 -10.622 2.511 1.00 0.56 C ATOM 381 O THR A 80 10.991 -9.512 2.701 1.00 0.50 O ATOM 382 CB THR A 80 13.903 -10.702 2.826 1.00 0.77 C ATOM 383 OG1 THR A 80 13.633 -9.622 3.707 1.00 0.94 O ATOM 384 CG2 THR A 80 15.218 -10.446 2.089 1.00 0.73 C ATOM 0 H THR A 80 13.439 -8.983 0.979 1.00 0.56 H new ATOM 0 HA THR A 80 12.778 -11.830 1.368 1.00 0.60 H new ATOM 0 HB THR A 80 13.983 -11.624 3.401 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.361 -9.541 4.358 1.00 0.94 H new ATOM 0 HG21 THR A 80 16.028 -10.353 2.812 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.426 -11.278 1.416 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.138 -9.524 1.512 1.00 0.73 H new ATOM 392 N TYR A 81 10.808 -11.691 2.936 1.00 0.61 N ATOM 393 CA TYR A 81 9.526 -11.543 3.673 1.00 0.60 C ATOM 394 C TYR A 81 9.812 -10.547 4.795 1.00 0.51 C ATOM 395 O TYR A 81 9.048 -9.640 5.064 1.00 0.45 O ATOM 396 CB TYR A 81 9.097 -12.926 4.222 1.00 0.69 C ATOM 397 CG TYR A 81 8.501 -12.812 5.612 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.158 -12.459 5.774 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.301 -13.058 6.734 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.613 -12.352 7.060 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.757 -12.951 8.019 1.00 0.77 C ATOM 402 CZ TYR A 81 7.413 -12.598 8.181 1.00 0.73 C ATOM 403 OH TYR A 81 6.876 -12.491 9.448 1.00 0.90 O ATOM 0 H TYR A 81 11.128 -12.650 2.803 1.00 0.61 H new ATOM 0 HA TYR A 81 8.710 -11.183 3.046 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.368 -13.376 3.548 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.960 -13.592 4.248 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.541 -12.269 4.908 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.338 -13.330 6.608 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.576 -12.080 7.186 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.374 -13.141 8.885 1.00 0.77 H new ATOM 0 HH TYR A 81 7.565 -12.695 10.114 1.00 0.90 H new ATOM 413 N LYS A 82 10.950 -10.699 5.411 1.00 0.52 N ATOM 414 CA LYS A 82 11.349 -9.755 6.473 1.00 0.48 C ATOM 415 C LYS A 82 11.454 -8.361 5.851 1.00 0.40 C ATOM 416 O LYS A 82 11.220 -7.365 6.507 1.00 0.38 O ATOM 417 CB LYS A 82 12.706 -10.179 7.056 1.00 0.55 C ATOM 418 CG LYS A 82 12.882 -9.568 8.450 1.00 0.60 C ATOM 419 CD LYS A 82 14.351 -9.660 8.870 1.00 0.92 C ATOM 420 CE LYS A 82 14.511 -9.102 10.285 1.00 1.49 C ATOM 421 NZ LYS A 82 14.111 -7.666 10.301 1.00 2.32 N ATOM 0 H LYS A 82 11.620 -11.443 5.218 1.00 0.52 H new ATOM 0 HA LYS A 82 10.614 -9.750 7.278 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.764 -11.266 7.115 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.513 -9.852 6.400 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.559 -8.527 8.445 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.254 -10.093 9.170 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.686 -10.697 8.836 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.975 -9.100 8.174 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.896 -9.670 10.983 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.545 -9.206 10.614 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 14.813 -7.116 10.836 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.062 -7.309 9.326 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.179 -7.570 10.752 1.00 2.32 H new ATOM 435 N ALA A 83 11.801 -8.273 4.582 1.00 0.42 N ATOM 436 CA ALA A 83 11.902 -6.917 3.956 1.00 0.41 C ATOM 437 C ALA A 83 10.516 -6.267 3.918 1.00 0.35 C ATOM 438 O ALA A 83 10.373 -5.076 4.106 1.00 0.34 O ATOM 439 CB ALA A 83 12.448 -7.025 2.528 1.00 0.52 C ATOM 0 H ALA A 83 12.013 -9.061 3.970 1.00 0.42 H new ATOM 0 HA ALA A 83 12.583 -6.308 4.551 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.515 -6.030 2.088 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.439 -7.479 2.551 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.779 -7.643 1.929 1.00 0.52 H new ATOM 445 N ALA A 84 9.493 -7.040 3.669 1.00 0.34 N ATOM 446 CA ALA A 84 8.114 -6.472 3.611 1.00 0.31 C ATOM 447 C ALA A 84 7.722 -5.899 4.975 1.00 0.28 C ATOM 448 O ALA A 84 7.300 -4.765 5.084 1.00 0.28 O ATOM 449 CB ALA A 84 7.127 -7.575 3.224 1.00 0.34 C ATOM 0 H ALA A 84 9.553 -8.045 3.503 1.00 0.34 H new ATOM 0 HA ALA A 84 8.089 -5.674 2.868 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.119 -7.163 3.181 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.396 -7.978 2.248 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.162 -8.371 3.967 1.00 0.34 H new ATOM 455 N VAL A 85 7.843 -6.677 6.015 1.00 0.29 N ATOM 456 CA VAL A 85 7.461 -6.174 7.365 1.00 0.29 C ATOM 457 C VAL A 85 8.375 -5.013 7.759 1.00 0.29 C ATOM 458 O VAL A 85 7.927 -4.003 8.261 1.00 0.30 O ATOM 459 CB VAL A 85 7.588 -7.311 8.391 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.733 -6.995 9.625 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.115 -8.625 7.760 1.00 0.38 C ATOM 0 H VAL A 85 8.189 -7.636 5.989 1.00 0.29 H new ATOM 0 HA VAL A 85 6.429 -5.823 7.343 1.00 0.29 H new ATOM 0 HB VAL A 85 8.631 -7.408 8.693 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.826 -7.804 10.349 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.075 -6.063 10.076 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.689 -6.893 9.328 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.205 -9.431 8.488 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.073 -8.527 7.454 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.729 -8.852 6.889 1.00 0.38 H new ATOM 471 N ASP A 86 9.650 -5.143 7.528 1.00 0.30 N ATOM 472 CA ASP A 86 10.576 -4.036 7.886 1.00 0.32 C ATOM 473 C ASP A 86 10.189 -2.801 7.076 1.00 0.30 C ATOM 474 O ASP A 86 10.131 -1.700 7.585 1.00 0.31 O ATOM 475 CB ASP A 86 12.013 -4.440 7.554 1.00 0.36 C ATOM 476 CG ASP A 86 12.490 -5.495 8.554 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.842 -5.651 9.575 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.497 -6.129 8.281 1.00 1.05 O ATOM 0 H ASP A 86 10.089 -5.963 7.109 1.00 0.30 H new ATOM 0 HA ASP A 86 10.507 -3.820 8.952 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.066 -4.835 6.539 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.665 -3.567 7.591 1.00 0.36 H new ATOM 483 N LEU A 87 9.913 -2.984 5.814 1.00 0.29 N ATOM 484 CA LEU A 87 9.517 -1.831 4.962 1.00 0.30 C ATOM 485 C LEU A 87 8.224 -1.217 5.504 1.00 0.29 C ATOM 486 O LEU A 87 8.062 -0.014 5.523 1.00 0.30 O ATOM 487 CB LEU A 87 9.290 -2.313 3.524 1.00 0.33 C ATOM 488 CG LEU A 87 9.127 -1.109 2.578 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.496 -0.508 2.225 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.433 -1.565 1.289 1.00 0.44 C ATOM 0 H LEU A 87 9.945 -3.885 5.337 1.00 0.29 H new ATOM 0 HA LEU A 87 10.308 -1.081 4.974 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.131 -2.927 3.202 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.401 -2.942 3.480 1.00 0.33 H new ATOM 0 HG LEU A 87 8.527 -0.351 3.081 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.359 0.341 1.556 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.993 -0.175 3.136 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.109 -1.263 1.732 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.317 -0.714 0.618 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.037 -2.331 0.802 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.452 -1.974 1.529 1.00 0.44 H new ATOM 502 N SER A 88 7.295 -2.031 5.939 1.00 0.30 N ATOM 503 CA SER A 88 6.018 -1.475 6.466 1.00 0.34 C ATOM 504 C SER A 88 6.313 -0.401 7.519 1.00 0.33 C ATOM 505 O SER A 88 5.733 0.668 7.503 1.00 0.36 O ATOM 506 CB SER A 88 5.192 -2.603 7.088 1.00 0.40 C ATOM 507 OG SER A 88 5.610 -2.808 8.429 1.00 0.44 O ATOM 0 H SER A 88 7.367 -3.048 5.951 1.00 0.30 H new ATOM 0 HA SER A 88 5.455 -1.023 5.650 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.132 -2.351 7.060 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.316 -3.520 6.512 1.00 0.40 H new ATOM 0 HG SER A 88 5.293 -2.068 8.987 1.00 0.44 H new ATOM 513 N HIS A 89 7.205 -0.666 8.438 1.00 0.34 N ATOM 514 CA HIS A 89 7.520 0.355 9.481 1.00 0.36 C ATOM 515 C HIS A 89 8.348 1.486 8.868 1.00 0.36 C ATOM 516 O HIS A 89 8.248 2.626 9.270 1.00 0.41 O ATOM 517 CB HIS A 89 8.317 -0.285 10.622 1.00 0.41 C ATOM 518 CG HIS A 89 7.680 -1.583 11.030 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.459 -2.000 10.527 1.00 1.43 N ATOM 520 CD2 HIS A 89 8.086 -2.571 11.894 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.176 -3.192 11.084 1.00 1.27 C ATOM 522 NE2 HIS A 89 7.135 -3.587 11.926 1.00 0.82 N ATOM 0 H HIS A 89 7.726 -1.540 8.511 1.00 0.34 H new ATOM 0 HA HIS A 89 6.584 0.754 9.871 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.345 -0.459 10.305 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.357 0.394 11.474 1.00 0.41 H new ATOM 0 HD2 HIS A 89 9.004 -2.561 12.462 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.282 -3.761 10.875 1.00 1.27 H new ATOM 0 HE2 HIS A 89 7.164 -4.447 12.474 1.00 0.82 H new ATOM 530 N PHE A 90 9.168 1.193 7.903 1.00 0.34 N ATOM 531 CA PHE A 90 9.981 2.278 7.291 1.00 0.37 C ATOM 532 C PHE A 90 9.034 3.341 6.735 1.00 0.40 C ATOM 533 O PHE A 90 9.130 4.508 7.059 1.00 0.47 O ATOM 534 CB PHE A 90 10.840 1.708 6.160 1.00 0.38 C ATOM 535 CG PHE A 90 11.876 2.729 5.751 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.549 3.723 4.821 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.161 2.680 6.302 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.509 4.669 4.441 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.122 3.627 5.924 1.00 0.69 C ATOM 540 CZ PHE A 90 13.795 4.622 4.993 1.00 0.72 C ATOM 0 H PHE A 90 9.311 0.261 7.514 1.00 0.34 H new ATOM 0 HA PHE A 90 10.637 2.719 8.041 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.328 0.790 6.487 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.212 1.449 5.307 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.557 3.760 4.397 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.412 1.912 7.019 1.00 0.57 H new ATOM 0 HE1 PHE A 90 12.258 5.435 3.722 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.114 3.590 6.350 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.535 5.353 4.701 1.00 0.72 H new ATOM 550 N LEU A 91 8.117 2.940 5.900 1.00 0.37 N ATOM 551 CA LEU A 91 7.153 3.913 5.315 1.00 0.42 C ATOM 552 C LEU A 91 6.285 4.534 6.418 1.00 0.47 C ATOM 553 O LEU A 91 5.730 5.597 6.246 1.00 0.57 O ATOM 554 CB LEU A 91 6.256 3.190 4.304 1.00 0.41 C ATOM 555 CG LEU A 91 7.071 2.820 3.044 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.449 1.600 2.363 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.076 3.994 2.055 1.00 0.54 C ATOM 0 H LEU A 91 7.993 1.974 5.596 1.00 0.37 H new ATOM 0 HA LEU A 91 7.708 4.708 4.817 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.839 2.290 4.755 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.416 3.828 4.029 1.00 0.41 H new ATOM 0 HG LEU A 91 8.094 2.593 3.345 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.028 1.344 1.476 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.452 0.757 3.054 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.423 1.828 2.074 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.653 3.723 1.171 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.052 4.228 1.763 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.526 4.867 2.528 1.00 0.54 H new ATOM 569 N LYS A 92 6.146 3.890 7.544 1.00 0.45 N ATOM 570 CA LYS A 92 5.295 4.486 8.614 1.00 0.53 C ATOM 571 C LYS A 92 5.917 5.803 9.091 1.00 0.63 C ATOM 572 O LYS A 92 5.322 6.857 8.986 1.00 0.85 O ATOM 573 CB LYS A 92 5.178 3.503 9.789 1.00 0.54 C ATOM 574 CG LYS A 92 4.504 4.180 10.992 1.00 0.73 C ATOM 575 CD LYS A 92 3.205 4.866 10.553 1.00 1.20 C ATOM 576 CE LYS A 92 2.320 5.127 11.775 1.00 1.61 C ATOM 577 NZ LYS A 92 1.218 6.059 11.402 1.00 2.27 N ATOM 0 H LYS A 92 6.576 2.993 7.768 1.00 0.45 H new ATOM 0 HA LYS A 92 4.299 4.685 8.217 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.600 2.630 9.485 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.168 3.147 10.073 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.290 3.440 11.763 1.00 0.73 H new ATOM 0 HG3 LYS A 92 5.180 4.913 11.432 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.431 5.805 10.049 1.00 1.20 H new ATOM 0 HD3 LYS A 92 2.676 4.239 9.836 1.00 1.20 H new ATOM 0 HE2 LYS A 92 1.907 4.189 12.145 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.914 5.554 12.583 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 0.899 6.575 12.247 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.562 6.736 10.692 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 0.423 5.517 11.007 1.00 2.27 H new ATOM 591 N GLU A 93 7.103 5.748 9.629 1.00 0.62 N ATOM 592 CA GLU A 93 7.759 6.993 10.131 1.00 0.76 C ATOM 593 C GLU A 93 8.264 7.867 8.965 1.00 0.77 C ATOM 594 O GLU A 93 7.789 8.965 8.755 1.00 1.05 O ATOM 595 CB GLU A 93 8.933 6.616 11.063 1.00 0.94 C ATOM 596 CG GLU A 93 9.507 5.250 10.664 1.00 1.22 C ATOM 597 CD GLU A 93 10.893 5.072 11.289 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.325 5.969 11.993 1.00 2.73 O ATOM 599 OE2 GLU A 93 11.499 4.039 11.053 1.00 2.54 O ATOM 0 H GLU A 93 7.649 4.894 9.744 1.00 0.62 H new ATOM 0 HA GLU A 93 7.023 7.573 10.687 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.711 7.377 11.006 1.00 0.94 H new ATOM 0 HB3 GLU A 93 8.591 6.587 12.098 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.842 4.453 10.997 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.574 5.176 9.579 1.00 1.22 H new ATOM 606 N LYS A 94 9.252 7.409 8.243 1.00 0.80 N ATOM 607 CA LYS A 94 9.825 8.235 7.134 1.00 1.02 C ATOM 608 C LYS A 94 8.913 8.259 5.899 1.00 0.96 C ATOM 609 O LYS A 94 9.313 8.739 4.857 1.00 1.41 O ATOM 610 CB LYS A 94 11.185 7.660 6.735 1.00 1.39 C ATOM 611 CG LYS A 94 12.124 7.682 7.943 1.00 1.63 C ATOM 612 CD LYS A 94 13.509 7.180 7.525 1.00 2.18 C ATOM 613 CE LYS A 94 14.428 7.109 8.748 1.00 2.61 C ATOM 614 NZ LYS A 94 15.583 6.216 8.450 1.00 2.96 N ATOM 0 H LYS A 94 9.690 6.497 8.372 1.00 0.80 H new ATOM 0 HA LYS A 94 9.923 9.258 7.498 1.00 1.02 H new ATOM 0 HB2 LYS A 94 11.067 6.639 6.371 1.00 1.39 H new ATOM 0 HB3 LYS A 94 11.612 8.242 5.918 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.198 8.694 8.341 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.724 7.055 8.739 1.00 1.63 H new ATOM 0 HD2 LYS A 94 13.425 6.196 7.065 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.936 7.847 6.776 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.783 8.106 9.008 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.876 6.733 9.609 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 16.207 6.167 9.280 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.235 5.263 8.222 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 16.114 6.594 7.639 1.00 2.96 H new ATOM 628 N GLY A 95 7.706 7.757 5.991 1.00 1.12 N ATOM 629 CA GLY A 95 6.788 7.766 4.797 1.00 1.51 C ATOM 630 C GLY A 95 5.441 8.393 5.171 1.00 1.10 C ATOM 631 O GLY A 95 5.086 9.451 4.692 1.00 1.71 O ATOM 0 H GLY A 95 7.313 7.342 6.836 1.00 1.12 H new ATOM 0 HA2 GLY A 95 7.245 8.327 3.982 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.637 6.748 4.438 1.00 1.51 H new ATOM 635 N GLY A 96 4.686 7.747 6.018 1.00 1.17 N ATOM 636 CA GLY A 96 3.356 8.302 6.418 1.00 0.99 C ATOM 637 C GLY A 96 2.275 7.802 5.451 1.00 0.81 C ATOM 638 O GLY A 96 1.446 8.559 4.987 1.00 0.83 O ATOM 0 H GLY A 96 4.931 6.857 6.452 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.115 7.997 7.437 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.389 9.391 6.410 1.00 0.99 H new ATOM 642 N LEU A 97 2.276 6.531 5.148 1.00 0.67 N ATOM 643 CA LEU A 97 1.251 5.973 4.217 1.00 0.55 C ATOM 644 C LEU A 97 -0.024 5.666 5.010 1.00 0.46 C ATOM 645 O LEU A 97 -1.117 5.667 4.478 1.00 0.49 O ATOM 646 CB LEU A 97 1.804 4.682 3.594 1.00 0.54 C ATOM 647 CG LEU A 97 0.822 4.101 2.554 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.929 4.868 1.231 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.165 2.630 2.305 1.00 0.66 C ATOM 0 H LEU A 97 2.946 5.851 5.507 1.00 0.67 H new ATOM 0 HA LEU A 97 1.021 6.689 3.428 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.763 4.886 3.118 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.987 3.946 4.377 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.194 4.193 2.939 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.230 4.446 0.508 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.688 5.918 1.399 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.945 4.786 0.844 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.474 2.215 1.571 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.185 2.553 1.928 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.080 2.074 3.238 1.00 0.66 H new ATOM 661 N GLU A 98 0.110 5.395 6.278 1.00 0.44 N ATOM 662 CA GLU A 98 -1.085 5.076 7.109 1.00 0.40 C ATOM 663 C GLU A 98 -2.174 6.126 6.903 1.00 0.40 C ATOM 664 O GLU A 98 -1.911 7.286 6.655 1.00 0.58 O ATOM 665 CB GLU A 98 -0.683 5.049 8.586 1.00 0.49 C ATOM 666 CG GLU A 98 -1.915 4.776 9.466 1.00 0.48 C ATOM 667 CD GLU A 98 -2.685 6.077 9.714 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.044 7.086 9.960 1.00 2.03 O ATOM 669 OE2 GLU A 98 -3.904 6.042 9.652 1.00 1.94 O ATOM 0 H GLU A 98 0.999 5.381 6.777 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.472 4.102 6.809 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.070 4.278 8.752 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.231 6.001 8.865 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.564 4.047 8.980 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.604 4.342 10.416 1.00 0.48 H new ATOM 676 N GLY A 99 -3.400 5.711 7.032 1.00 0.39 N ATOM 677 CA GLY A 99 -4.551 6.644 6.882 1.00 0.42 C ATOM 678 C GLY A 99 -4.426 7.492 5.608 1.00 0.42 C ATOM 679 O GLY A 99 -5.221 8.381 5.375 1.00 0.46 O ATOM 0 H GLY A 99 -3.659 4.746 7.239 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.480 6.075 6.852 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.606 7.298 7.752 1.00 0.42 H new ATOM 683 N LEU A 100 -3.455 7.232 4.779 1.00 0.41 N ATOM 684 CA LEU A 100 -3.318 8.040 3.526 1.00 0.43 C ATOM 685 C LEU A 100 -4.397 7.585 2.536 1.00 0.42 C ATOM 686 O LEU A 100 -4.325 6.507 1.981 1.00 0.44 O ATOM 687 CB LEU A 100 -1.911 7.818 2.938 1.00 0.45 C ATOM 688 CG LEU A 100 -1.594 8.806 1.792 1.00 0.55 C ATOM 689 CD1 LEU A 100 -2.508 8.548 0.581 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.747 10.264 2.272 1.00 1.17 C ATOM 0 H LEU A 100 -2.754 6.503 4.909 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.446 9.103 3.732 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.168 7.929 3.727 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -1.831 6.796 2.567 1.00 0.45 H new ATOM 0 HG LEU A 100 -0.560 8.647 1.486 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.268 9.255 -0.213 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.356 7.531 0.220 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -3.549 8.676 0.877 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.519 10.943 1.450 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -2.770 10.431 2.608 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.059 10.449 3.097 1.00 1.17 H new ATOM 702 N ILE A 101 -5.418 8.381 2.335 1.00 0.44 N ATOM 703 CA ILE A 101 -6.513 7.965 1.408 1.00 0.45 C ATOM 704 C ILE A 101 -5.963 7.649 0.006 1.00 0.46 C ATOM 705 O ILE A 101 -5.615 8.526 -0.758 1.00 0.49 O ATOM 706 CB ILE A 101 -7.604 9.061 1.360 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.540 8.915 2.586 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.429 8.958 0.072 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.595 7.802 2.368 1.00 0.52 C ATOM 0 H ILE A 101 -5.540 9.295 2.770 1.00 0.44 H new ATOM 0 HA ILE A 101 -6.965 7.048 1.785 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.115 10.035 1.380 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -7.947 8.687 3.472 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.044 9.863 2.775 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.189 9.739 0.063 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -7.774 9.079 -0.791 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -8.912 7.982 0.026 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.234 7.728 3.248 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.204 8.044 1.497 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.091 6.850 2.205 1.00 0.52 H new ATOM 721 N HIS A 102 -5.914 6.380 -0.331 1.00 0.47 N ATOM 722 CA HIS A 102 -5.425 5.956 -1.678 1.00 0.51 C ATOM 723 C HIS A 102 -6.420 6.442 -2.738 1.00 0.58 C ATOM 724 O HIS A 102 -7.492 5.881 -2.899 1.00 0.64 O ATOM 725 CB HIS A 102 -5.313 4.416 -1.714 1.00 0.57 C ATOM 726 CG HIS A 102 -5.353 3.906 -3.135 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.548 3.641 -3.786 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.362 3.611 -4.037 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.249 3.207 -5.024 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.930 3.170 -5.229 1.00 0.70 N ATOM 0 H HIS A 102 -6.196 5.613 0.280 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.444 6.386 -1.880 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.384 4.104 -1.237 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.129 3.975 -1.142 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.302 3.706 -3.851 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.985 2.923 -5.761 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.443 2.881 -6.077 1.00 0.70 H new ATOM 738 N SER A 103 -6.073 7.474 -3.461 1.00 0.60 N ATOM 739 CA SER A 103 -6.989 8.001 -4.512 1.00 0.69 C ATOM 740 C SER A 103 -7.134 6.973 -5.637 1.00 0.76 C ATOM 741 O SER A 103 -8.099 6.237 -5.697 1.00 0.85 O ATOM 742 CB SER A 103 -6.418 9.302 -5.080 1.00 0.74 C ATOM 743 OG SER A 103 -6.162 10.207 -4.014 1.00 1.49 O ATOM 0 H SER A 103 -5.190 7.976 -3.367 1.00 0.60 H new ATOM 0 HA SER A 103 -7.968 8.193 -4.073 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.499 9.100 -5.630 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.121 9.743 -5.786 1.00 0.74 H new ATOM 0 HG SER A 103 -5.794 11.041 -4.374 1.00 1.49 H new ATOM 749 N GLN A 104 -6.185 6.920 -6.532 1.00 0.81 N ATOM 750 CA GLN A 104 -6.268 5.945 -7.657 1.00 0.92 C ATOM 751 C GLN A 104 -4.857 5.618 -8.152 1.00 0.93 C ATOM 752 O GLN A 104 -4.354 4.532 -7.950 1.00 1.37 O ATOM 753 CB GLN A 104 -7.076 6.562 -8.804 1.00 1.06 C ATOM 754 CG GLN A 104 -7.434 5.480 -9.832 1.00 1.76 C ATOM 755 CD GLN A 104 -8.638 4.672 -9.339 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.536 3.929 -8.382 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.781 4.786 -9.957 1.00 2.70 N ATOM 0 H GLN A 104 -5.354 7.511 -6.533 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.756 5.033 -7.314 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.985 7.021 -8.415 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.499 7.354 -9.282 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.663 5.940 -10.793 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.581 4.819 -9.990 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.867 5.409 -10.760 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.589 4.252 -9.637 1.00 2.70 H new ATOM 766 N ARG A 105 -4.218 6.552 -8.802 1.00 0.83 N ATOM 767 CA ARG A 105 -2.841 6.303 -9.315 1.00 0.87 C ATOM 768 C ARG A 105 -1.846 6.325 -8.153 1.00 0.74 C ATOM 769 O ARG A 105 -0.692 5.978 -8.305 1.00 0.70 O ATOM 770 CB ARG A 105 -2.470 7.394 -10.321 1.00 1.06 C ATOM 771 CG ARG A 105 -3.384 7.294 -11.544 1.00 1.71 C ATOM 772 CD ARG A 105 -2.958 8.327 -12.591 1.00 1.99 C ATOM 773 NE ARG A 105 -3.430 9.678 -12.177 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.937 10.744 -12.746 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.028 10.627 -13.675 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.352 11.927 -12.385 1.00 4.61 N ATOM 0 H ARG A 105 -4.592 7.480 -9.000 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.807 5.328 -9.801 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.568 8.377 -9.860 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.428 7.286 -10.623 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.333 6.291 -11.967 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.420 7.465 -11.251 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -1.873 8.326 -12.698 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.374 8.067 -13.564 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.138 9.770 -11.449 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.703 9.702 -13.957 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -1.643 11.460 -14.120 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -4.062 12.019 -11.658 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -2.967 12.760 -12.830 1.00 4.61 H new ATOM 790 N ARG A 106 -2.280 6.741 -6.995 1.00 0.71 N ATOM 791 CA ARG A 106 -1.355 6.798 -5.827 1.00 0.65 C ATOM 792 C ARG A 106 -0.736 5.414 -5.586 1.00 0.54 C ATOM 793 O ARG A 106 0.372 5.296 -5.099 1.00 0.50 O ATOM 794 CB ARG A 106 -2.142 7.253 -4.580 1.00 0.70 C ATOM 795 CG ARG A 106 -1.221 8.027 -3.615 1.00 1.01 C ATOM 796 CD ARG A 106 -1.167 9.507 -4.014 1.00 1.24 C ATOM 797 NE ARG A 106 -0.246 10.237 -3.096 1.00 1.86 N ATOM 798 CZ ARG A 106 0.177 11.431 -3.407 1.00 2.48 C ATOM 799 NH1 ARG A 106 -0.205 11.989 -4.523 1.00 2.86 N ATOM 800 NH2 ARG A 106 0.983 12.069 -2.602 1.00 3.29 N ATOM 0 H ARG A 106 -3.236 7.044 -6.807 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.553 7.509 -6.027 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.978 7.885 -4.880 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.564 6.386 -4.072 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.588 7.931 -2.593 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.218 7.600 -3.635 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.824 9.605 -5.044 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -2.165 9.944 -3.968 1.00 1.24 H new ATOM 0 HE ARG A 106 0.054 9.802 -2.223 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.835 11.491 -5.153 1.00 2.86 H new ATOM 0 HH12 ARG A 106 0.126 12.923 -4.766 1.00 2.86 H new ATOM 0 HH21 ARG A 106 1.282 11.634 -1.729 1.00 3.29 H new ATOM 0 HH22 ARG A 106 1.313 13.003 -2.846 1.00 3.29 H new ATOM 814 N GLN A 107 -1.442 4.367 -5.916 1.00 0.55 N ATOM 815 CA GLN A 107 -0.890 2.996 -5.697 1.00 0.52 C ATOM 816 C GLN A 107 0.371 2.809 -6.542 1.00 0.49 C ATOM 817 O GLN A 107 1.390 2.347 -6.062 1.00 0.44 O ATOM 818 CB GLN A 107 -1.935 1.953 -6.105 1.00 0.63 C ATOM 819 CG GLN A 107 -2.330 2.154 -7.573 1.00 1.11 C ATOM 820 CD GLN A 107 -3.669 1.462 -7.848 1.00 1.53 C ATOM 821 OE1 GLN A 107 -4.708 2.092 -7.821 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.686 0.184 -8.110 1.00 2.12 N ATOM 0 H GLN A 107 -2.375 4.399 -6.327 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.642 2.871 -4.643 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.535 0.949 -5.962 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.815 2.039 -5.468 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.407 3.218 -7.796 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.558 1.746 -8.226 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.813 -0.344 -8.132 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.572 -0.287 -8.292 1.00 2.12 H new ATOM 831 N ASP A 108 0.315 3.159 -7.796 1.00 0.56 N ATOM 832 CA ASP A 108 1.510 2.998 -8.668 1.00 0.59 C ATOM 833 C ASP A 108 2.694 3.743 -8.050 1.00 0.54 C ATOM 834 O ASP A 108 3.801 3.246 -8.009 1.00 0.54 O ATOM 835 CB ASP A 108 1.211 3.575 -10.054 1.00 0.72 C ATOM 836 CG ASP A 108 0.185 2.692 -10.765 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.115 1.629 -10.246 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.286 3.093 -11.816 1.00 1.42 O ATOM 0 H ASP A 108 -0.508 3.550 -8.255 1.00 0.56 H new ATOM 0 HA ASP A 108 1.754 1.940 -8.760 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.829 4.592 -9.961 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.127 3.631 -10.642 1.00 0.72 H new ATOM 843 N ILE A 109 2.468 4.934 -7.565 1.00 0.55 N ATOM 844 CA ILE A 109 3.580 5.712 -6.949 1.00 0.54 C ATOM 845 C ILE A 109 4.234 4.885 -5.838 1.00 0.47 C ATOM 846 O ILE A 109 5.435 4.911 -5.658 1.00 0.53 O ATOM 847 CB ILE A 109 3.026 7.014 -6.367 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.171 7.720 -7.423 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.183 7.929 -5.959 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.682 9.062 -6.874 1.00 1.47 C ATOM 0 H ILE A 109 1.561 5.401 -7.569 1.00 0.55 H new ATOM 0 HA ILE A 109 4.327 5.943 -7.708 1.00 0.54 H new ATOM 0 HB ILE A 109 2.417 6.788 -5.492 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.753 7.877 -8.331 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.320 7.095 -7.694 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.785 8.856 -5.545 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.795 7.429 -5.208 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.794 8.155 -6.833 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.074 9.563 -7.627 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.084 8.893 -5.978 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.539 9.687 -6.625 1.00 1.47 H new ATOM 862 N LEU A 110 3.454 4.149 -5.092 1.00 0.43 N ATOM 863 CA LEU A 110 4.036 3.320 -3.994 1.00 0.39 C ATOM 864 C LEU A 110 5.052 2.337 -4.585 1.00 0.38 C ATOM 865 O LEU A 110 6.243 2.463 -4.382 1.00 0.38 O ATOM 866 CB LEU A 110 2.913 2.539 -3.296 1.00 0.42 C ATOM 867 CG LEU A 110 3.455 1.814 -2.043 1.00 0.44 C ATOM 868 CD1 LEU A 110 3.485 2.769 -0.844 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.550 0.624 -1.706 1.00 0.66 C ATOM 0 H LEU A 110 2.441 4.085 -5.194 1.00 0.43 H new ATOM 0 HA LEU A 110 4.533 3.966 -3.271 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.111 3.220 -3.011 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.484 1.813 -3.986 1.00 0.42 H new ATOM 0 HG LEU A 110 4.467 1.468 -2.253 1.00 0.44 H new ATOM 0 HD11 LEU A 110 3.869 2.243 0.030 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.131 3.617 -1.070 1.00 0.56 H new ATOM 0 HD13 LEU A 110 2.476 3.126 -0.638 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.934 0.114 -0.822 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.539 0.980 -1.509 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.533 -0.070 -2.547 1.00 0.66 H new ATOM 881 N ASP A 111 4.590 1.355 -5.310 1.00 0.40 N ATOM 882 CA ASP A 111 5.527 0.360 -5.907 1.00 0.42 C ATOM 883 C ASP A 111 6.625 1.087 -6.688 1.00 0.43 C ATOM 884 O ASP A 111 7.762 0.658 -6.724 1.00 0.42 O ATOM 885 CB ASP A 111 4.755 -0.561 -6.854 1.00 0.50 C ATOM 886 CG ASP A 111 3.781 -1.422 -6.048 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.213 -0.908 -5.099 1.00 1.30 O ATOM 888 OD2 ASP A 111 3.620 -2.582 -6.393 1.00 1.19 O ATOM 0 H ASP A 111 3.603 1.198 -5.515 1.00 0.40 H new ATOM 0 HA ASP A 111 5.981 -0.230 -5.111 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.211 0.031 -7.590 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.448 -1.196 -7.405 1.00 0.50 H new ATOM 893 N LEU A 112 6.296 2.180 -7.321 1.00 0.48 N ATOM 894 CA LEU A 112 7.320 2.929 -8.103 1.00 0.52 C ATOM 895 C LEU A 112 8.397 3.462 -7.157 1.00 0.48 C ATOM 896 O LEU A 112 9.573 3.239 -7.361 1.00 0.47 O ATOM 897 CB LEU A 112 6.643 4.097 -8.838 1.00 0.60 C ATOM 898 CG LEU A 112 7.550 4.647 -9.960 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.698 5.429 -10.965 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.627 5.583 -9.382 1.00 1.26 C ATOM 0 H LEU A 112 5.361 2.587 -7.330 1.00 0.48 H new ATOM 0 HA LEU A 112 7.784 2.265 -8.832 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.696 3.764 -9.262 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.413 4.892 -8.129 1.00 0.60 H new ATOM 0 HG LEU A 112 8.040 3.807 -10.452 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.336 5.818 -11.758 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.946 4.768 -11.396 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.205 6.258 -10.457 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.254 5.959 -10.190 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.147 6.421 -8.876 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.243 5.033 -8.670 1.00 1.26 H new ATOM 912 N TRP A 113 8.013 4.161 -6.124 1.00 0.48 N ATOM 913 CA TRP A 113 9.034 4.696 -5.179 1.00 0.48 C ATOM 914 C TRP A 113 9.979 3.560 -4.777 1.00 0.43 C ATOM 915 O TRP A 113 11.182 3.717 -4.766 1.00 0.45 O ATOM 916 CB TRP A 113 8.340 5.266 -3.938 1.00 0.52 C ATOM 917 CG TRP A 113 9.361 5.636 -2.907 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.071 6.789 -2.887 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.797 4.870 -1.748 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.914 6.777 -1.790 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.781 5.614 -1.057 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.435 3.612 -1.237 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.386 5.125 0.103 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.041 3.117 -0.071 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.014 3.872 0.598 1.00 0.67 C ATOM 0 H TRP A 113 7.044 4.384 -5.894 1.00 0.48 H new ATOM 0 HA TRP A 113 9.603 5.492 -5.658 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.751 6.142 -4.210 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.647 4.531 -3.529 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.992 7.588 -3.610 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.555 7.534 -1.552 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.686 3.022 -1.744 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.136 5.711 0.614 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.756 2.149 0.313 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.476 3.486 1.495 1.00 0.67 H new ATOM 936 N ILE A 114 9.444 2.413 -4.462 1.00 0.39 N ATOM 937 CA ILE A 114 10.320 1.271 -4.080 1.00 0.37 C ATOM 938 C ILE A 114 11.275 0.964 -5.242 1.00 0.39 C ATOM 939 O ILE A 114 12.405 0.567 -5.043 1.00 0.44 O ATOM 940 CB ILE A 114 9.458 0.040 -3.777 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.390 0.409 -2.745 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.333 -1.082 -3.209 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.489 -0.798 -2.484 1.00 1.00 C ATOM 0 H ILE A 114 8.443 2.218 -4.453 1.00 0.39 H new ATOM 0 HA ILE A 114 10.896 1.528 -3.191 1.00 0.37 H new ATOM 0 HB ILE A 114 8.984 -0.299 -4.698 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.863 0.730 -1.817 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.795 1.248 -3.107 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.714 -1.954 -2.996 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.099 -1.350 -3.937 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.809 -0.742 -2.290 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.729 -0.533 -1.749 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.005 -1.099 -3.413 1.00 1.00 H new ATOM 0 HD13 ILE A 114 8.089 -1.625 -2.104 1.00 1.00 H new ATOM 955 N TYR A 115 10.821 1.137 -6.454 1.00 0.40 N ATOM 956 CA TYR A 115 11.690 0.850 -7.633 1.00 0.46 C ATOM 957 C TYR A 115 12.880 1.825 -7.665 1.00 0.51 C ATOM 958 O TYR A 115 14.022 1.427 -7.543 1.00 0.54 O ATOM 959 CB TYR A 115 10.859 0.996 -8.917 1.00 0.53 C ATOM 960 CG TYR A 115 11.490 0.202 -10.042 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.484 -1.200 -10.000 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.079 0.865 -11.127 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.064 -1.934 -11.041 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.659 0.129 -12.166 1.00 0.82 C ATOM 965 CZ TYR A 115 12.652 -1.270 -12.124 1.00 0.77 C ATOM 966 OH TYR A 115 13.224 -1.995 -13.151 1.00 0.87 O ATOM 0 H TYR A 115 9.882 1.466 -6.680 1.00 0.40 H new ATOM 0 HA TYR A 115 12.076 -0.167 -7.560 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.841 0.647 -8.742 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.791 2.047 -9.197 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.032 -1.713 -9.164 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.085 1.944 -11.161 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.058 -3.014 -11.009 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.113 0.641 -13.002 1.00 0.82 H new ATOM 0 HH TYR A 115 13.586 -1.380 -13.823 1.00 0.87 H new ATOM 976 N HIS A 116 12.623 3.095 -7.840 1.00 0.58 N ATOM 977 CA HIS A 116 13.737 4.095 -7.894 1.00 0.67 C ATOM 978 C HIS A 116 14.496 4.144 -6.556 1.00 0.67 C ATOM 979 O HIS A 116 15.195 5.100 -6.280 1.00 0.81 O ATOM 980 CB HIS A 116 13.153 5.484 -8.201 1.00 0.79 C ATOM 981 CG HIS A 116 12.867 5.608 -9.676 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.696 5.134 -10.245 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.590 6.156 -10.706 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.748 5.404 -11.563 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.882 6.026 -11.897 1.00 2.74 N ATOM 0 H HIS A 116 11.687 3.486 -7.948 1.00 0.58 H new ATOM 0 HA HIS A 116 14.436 3.798 -8.676 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.237 5.637 -7.630 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.854 6.259 -7.892 1.00 0.79 H new ATOM 0 HD2 HIS A 116 14.561 6.618 -10.607 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.968 5.149 -12.265 1.00 2.71 H new ATOM 0 HE2 HIS A 116 13.167 6.338 -12.825 1.00 2.74 H new ATOM 993 N THR A 117 14.377 3.130 -5.729 1.00 0.63 N ATOM 994 CA THR A 117 15.108 3.121 -4.417 1.00 0.68 C ATOM 995 C THR A 117 15.951 1.847 -4.320 1.00 0.66 C ATOM 996 O THR A 117 17.082 1.810 -4.760 1.00 0.73 O ATOM 997 CB THR A 117 14.106 3.157 -3.262 1.00 0.80 C ATOM 998 OG1 THR A 117 13.128 2.148 -3.454 1.00 0.85 O ATOM 999 CG2 THR A 117 13.427 4.528 -3.210 1.00 0.91 C ATOM 0 H THR A 117 13.803 2.305 -5.906 1.00 0.63 H new ATOM 0 HA THR A 117 15.753 3.997 -4.357 1.00 0.68 H new ATOM 0 HB THR A 117 14.630 2.981 -2.323 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.273 1.712 -4.320 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.714 4.550 -2.386 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.180 5.301 -3.059 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.903 4.710 -4.148 1.00 0.91 H new ATOM 1007 N GLN A 118 15.411 0.799 -3.754 1.00 0.73 N ATOM 1008 CA GLN A 118 16.192 -0.470 -3.641 1.00 0.83 C ATOM 1009 C GLN A 118 16.085 -1.244 -4.959 1.00 0.72 C ATOM 1010 O GLN A 118 16.741 -2.248 -5.158 1.00 0.91 O ATOM 1011 CB GLN A 118 15.637 -1.325 -2.495 1.00 1.06 C ATOM 1012 CG GLN A 118 15.248 -0.432 -1.308 1.00 1.48 C ATOM 1013 CD GLN A 118 13.885 0.230 -1.552 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.623 1.299 -1.037 1.00 2.89 O ATOM 1015 NE2 GLN A 118 12.994 -0.353 -2.313 1.00 2.13 N ATOM 0 H GLN A 118 14.468 0.766 -3.367 1.00 0.73 H new ATOM 0 HA GLN A 118 17.236 -0.236 -3.435 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.768 -1.886 -2.838 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.384 -2.055 -2.181 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.211 -1.027 -0.395 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.009 0.334 -1.158 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.205 -1.250 -2.750 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.089 0.090 -2.470 1.00 2.13 H new ATOM 1024 N GLY A 119 15.268 -0.776 -5.860 1.00 0.86 N ATOM 1025 CA GLY A 119 15.115 -1.464 -7.172 1.00 0.85 C ATOM 1026 C GLY A 119 14.454 -2.834 -7.001 1.00 0.65 C ATOM 1027 O GLY A 119 14.751 -3.760 -7.731 1.00 0.67 O ATOM 0 H GLY A 119 14.695 0.060 -5.743 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.515 -0.848 -7.842 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.092 -1.584 -7.640 1.00 0.85 H new ATOM 1031 N TYR A 120 13.548 -2.981 -6.071 1.00 0.54 N ATOM 1032 CA TYR A 120 12.882 -4.305 -5.921 1.00 0.44 C ATOM 1033 C TYR A 120 11.916 -4.477 -7.095 1.00 0.49 C ATOM 1034 O TYR A 120 11.157 -3.585 -7.421 1.00 0.70 O ATOM 1035 CB TYR A 120 12.100 -4.368 -4.598 1.00 0.48 C ATOM 1036 CG TYR A 120 13.025 -4.729 -3.451 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.705 -5.956 -3.448 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.195 -3.839 -2.383 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.555 -6.284 -2.383 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.044 -4.167 -1.320 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.725 -5.389 -1.321 1.00 0.75 C ATOM 1042 OH TYR A 120 15.561 -5.714 -0.272 1.00 0.91 O ATOM 0 H TYR A 120 13.245 -2.256 -5.421 1.00 0.54 H new ATOM 0 HA TYR A 120 13.629 -5.098 -5.913 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.627 -3.406 -4.402 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.302 -5.106 -4.675 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.573 -6.648 -4.267 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.669 -2.896 -2.380 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.079 -7.228 -2.382 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.173 -3.477 -0.499 1.00 0.71 H new ATOM 0 HH TYR A 120 15.567 -4.983 0.380 1.00 0.91 H new ATOM 1052 N PHE A 121 11.946 -5.605 -7.739 1.00 0.48 N ATOM 1053 CA PHE A 121 11.035 -5.816 -8.898 1.00 0.57 C ATOM 1054 C PHE A 121 9.599 -6.019 -8.384 1.00 0.55 C ATOM 1055 O PHE A 121 9.388 -6.748 -7.434 1.00 0.59 O ATOM 1056 CB PHE A 121 11.488 -7.061 -9.673 1.00 0.68 C ATOM 1057 CG PHE A 121 10.901 -7.038 -11.066 1.00 1.42 C ATOM 1058 CD1 PHE A 121 11.424 -6.166 -12.029 1.00 2.32 C ATOM 1059 CD2 PHE A 121 9.835 -7.886 -11.396 1.00 2.33 C ATOM 1060 CE1 PHE A 121 10.884 -6.142 -13.320 1.00 3.44 C ATOM 1061 CE2 PHE A 121 9.295 -7.861 -12.688 1.00 3.43 C ATOM 1062 CZ PHE A 121 9.820 -6.990 -13.649 1.00 3.85 C ATOM 0 H PHE A 121 12.559 -6.389 -7.516 1.00 0.48 H new ATOM 0 HA PHE A 121 11.064 -4.948 -9.556 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.576 -7.091 -9.727 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.170 -7.962 -9.149 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.245 -5.511 -11.775 1.00 2.32 H new ATOM 0 HD2 PHE A 121 9.430 -8.558 -10.654 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.288 -5.469 -14.062 1.00 3.44 H new ATOM 0 HE2 PHE A 121 8.473 -8.514 -12.943 1.00 3.43 H new ATOM 0 HZ PHE A 121 9.404 -6.972 -14.645 1.00 3.85 H new ATOM 1072 N PRO A 122 8.609 -5.393 -8.989 1.00 0.64 N ATOM 1073 CA PRO A 122 7.192 -5.541 -8.544 1.00 0.67 C ATOM 1074 C PRO A 122 6.587 -6.879 -8.983 1.00 0.73 C ATOM 1075 O PRO A 122 6.018 -7.002 -10.049 1.00 1.19 O ATOM 1076 CB PRO A 122 6.482 -4.368 -9.226 1.00 0.80 C ATOM 1077 CG PRO A 122 7.254 -4.151 -10.486 1.00 1.05 C ATOM 1078 CD PRO A 122 8.712 -4.481 -10.148 1.00 0.87 C ATOM 0 HA PRO A 122 7.096 -5.533 -7.458 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.438 -4.602 -9.435 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.490 -3.478 -8.597 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.884 -4.792 -11.286 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.157 -3.122 -10.831 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.219 -4.957 -10.987 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.278 -3.583 -9.901 1.00 0.87 H new ATOM 1086 N ASP A 123 6.703 -7.876 -8.155 1.00 0.56 N ATOM 1087 CA ASP A 123 6.138 -9.212 -8.486 1.00 0.64 C ATOM 1088 C ASP A 123 5.852 -9.937 -7.175 1.00 0.58 C ATOM 1089 O ASP A 123 5.759 -11.147 -7.121 1.00 0.65 O ATOM 1090 CB ASP A 123 7.151 -10.012 -9.310 1.00 0.74 C ATOM 1091 CG ASP A 123 8.490 -10.056 -8.572 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.813 -9.082 -7.913 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.170 -11.063 -8.677 1.00 1.38 O ATOM 0 H ASP A 123 7.172 -7.822 -7.251 1.00 0.56 H new ATOM 0 HA ASP A 123 5.223 -9.105 -9.069 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.782 -11.024 -9.476 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.280 -9.555 -10.291 1.00 0.74 H new ATOM 1098 N TRP A 124 5.722 -9.184 -6.114 1.00 0.53 N ATOM 1099 CA TRP A 124 5.451 -9.774 -4.769 1.00 0.52 C ATOM 1100 C TRP A 124 4.198 -9.139 -4.193 1.00 0.51 C ATOM 1101 O TRP A 124 3.417 -9.761 -3.500 1.00 0.55 O ATOM 1102 CB TRP A 124 6.633 -9.459 -3.853 1.00 0.49 C ATOM 1103 CG TRP A 124 6.847 -7.977 -3.838 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.522 -7.278 -4.782 1.00 0.44 C ATOM 1105 CD2 TRP A 124 6.388 -7.000 -2.858 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.507 -5.937 -4.442 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.821 -5.715 -3.265 1.00 0.41 C ATOM 1108 CE3 TRP A 124 5.646 -7.103 -1.668 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.528 -4.573 -2.518 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 5.349 -5.956 -0.913 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.790 -4.693 -1.338 1.00 0.55 C ATOM 0 H TRP A 124 5.794 -8.167 -6.123 1.00 0.53 H new ATOM 0 HA TRP A 124 5.314 -10.852 -4.852 1.00 0.52 H new ATOM 0 HB2 TRP A 124 6.437 -9.823 -2.844 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.531 -9.967 -4.206 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.995 -7.699 -5.657 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.949 -5.202 -4.994 1.00 0.42 H new ATOM 0 HE3 TRP A 124 5.302 -8.070 -1.332 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.869 -3.604 -2.850 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 4.778 -6.047 -0.001 1.00 0.58 H new ATOM 0 HH2 TRP A 124 5.559 -3.815 -0.753 1.00 0.55 H new ATOM 1122 N GLN A 125 4.020 -7.895 -4.479 1.00 0.53 N ATOM 1123 CA GLN A 125 2.835 -7.156 -3.965 1.00 0.60 C ATOM 1124 C GLN A 125 1.592 -7.524 -4.785 1.00 0.66 C ATOM 1125 O GLN A 125 1.377 -7.016 -5.867 1.00 0.84 O ATOM 1126 CB GLN A 125 3.103 -5.646 -4.064 1.00 0.69 C ATOM 1127 CG GLN A 125 2.223 -4.892 -3.062 1.00 1.56 C ATOM 1128 CD GLN A 125 2.369 -3.386 -3.284 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.461 -2.892 -3.482 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.306 -2.629 -3.257 1.00 2.82 N ATOM 0 H GLN A 125 4.652 -7.341 -5.057 1.00 0.53 H new ATOM 0 HA GLN A 125 2.658 -7.427 -2.924 1.00 0.60 H new ATOM 0 HB2 GLN A 125 4.155 -5.441 -3.864 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.897 -5.297 -5.076 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.181 -5.188 -3.183 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.512 -5.149 -2.043 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.389 -3.043 -3.091 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.392 -1.623 -3.402 1.00 2.82 H new ATOM 1139 N ASN A 126 0.767 -8.397 -4.263 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.483 -8.805 -4.982 1.00 0.72 C ATOM 1141 C ASN A 126 -1.647 -8.723 -3.996 1.00 0.69 C ATOM 1142 O ASN A 126 -1.466 -8.336 -2.859 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.334 -10.241 -5.493 1.00 0.84 C ATOM 1144 CG ASN A 126 0.788 -10.298 -6.531 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.535 -10.464 -7.708 1.00 1.53 O ATOM 1146 ND2 ASN A 126 2.028 -10.165 -6.144 1.00 0.88 N ATOM 0 H ASN A 126 0.906 -8.850 -3.360 1.00 0.64 H new ATOM 0 HA ASN A 126 -0.665 -8.148 -5.832 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.111 -10.912 -4.664 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.271 -10.580 -5.935 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.783 -10.200 -6.829 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.242 -10.026 -5.156 1.00 0.88 H new ATOM 1153 N TYR A 127 -2.843 -9.073 -4.400 1.00 0.69 N ATOM 1154 CA TYR A 127 -3.994 -8.984 -3.446 1.00 0.61 C ATOM 1155 C TYR A 127 -5.149 -9.855 -3.958 1.00 0.63 C ATOM 1156 O TYR A 127 -5.107 -10.380 -5.053 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.495 -7.519 -3.346 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.386 -6.543 -3.664 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.157 -6.164 -4.992 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -2.594 -6.014 -2.640 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.137 -5.255 -5.295 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -1.572 -5.106 -2.942 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.344 -4.727 -4.270 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.338 -3.831 -4.570 1.00 1.48 O ATOM 0 H TYR A 127 -3.072 -9.412 -5.335 1.00 0.69 H new ATOM 0 HA TYR A 127 -3.662 -9.327 -2.466 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.326 -7.368 -4.035 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -4.875 -7.329 -2.342 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.768 -6.573 -5.783 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -2.771 -6.306 -1.615 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.962 -4.961 -6.319 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -0.960 -4.698 -2.151 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.722 -2.939 -4.700 1.00 1.48 H new ATOM 1174 N THR A 128 -6.184 -10.002 -3.172 1.00 0.62 N ATOM 1175 CA THR A 128 -7.343 -10.826 -3.614 1.00 0.68 C ATOM 1176 C THR A 128 -8.021 -10.135 -4.809 1.00 0.75 C ATOM 1177 O THR A 128 -8.011 -8.924 -4.904 1.00 0.97 O ATOM 1178 CB THR A 128 -8.343 -10.954 -2.462 1.00 0.86 C ATOM 1179 OG1 THR A 128 -8.813 -9.661 -2.103 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.658 -11.601 -1.259 1.00 0.90 C ATOM 0 H THR A 128 -6.275 -9.587 -2.245 1.00 0.62 H new ATOM 0 HA THR A 128 -7.002 -11.819 -3.908 1.00 0.68 H new ATOM 0 HB THR A 128 -9.183 -11.574 -2.775 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.455 -9.739 -1.367 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.371 -11.692 -0.440 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.296 -12.591 -1.536 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.818 -10.983 -0.942 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.376 -5.096 0.871 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.311 -5.725 0.036 1.00 0.49 C ATOM 1251 C ARG A 134 -7.179 -6.250 0.930 1.00 0.40 C ATOM 1252 O ARG A 134 -6.393 -5.492 1.474 1.00 0.38 O ATOM 1253 CB ARG A 134 -7.769 -4.678 -0.964 1.00 0.58 C ATOM 1254 CG ARG A 134 -7.476 -5.340 -2.319 1.00 1.06 C ATOM 1255 CD ARG A 134 -6.739 -4.360 -3.240 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.717 -3.407 -3.836 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.295 -2.314 -4.412 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -6.017 -2.051 -4.454 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.150 -1.485 -4.944 1.00 3.36 N ATOM 0 HA ARG A 134 -8.728 -6.568 -0.515 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.496 -3.876 -1.092 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -6.860 -4.224 -0.569 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -6.872 -6.235 -2.171 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.408 -5.658 -2.786 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -5.981 -3.815 -2.677 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.220 -4.905 -4.028 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.716 -3.608 -3.794 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -5.349 -2.699 -4.037 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -5.687 -1.197 -4.904 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.148 -1.691 -4.910 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -7.820 -0.631 -5.394 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.096 -7.554 1.066 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.023 -8.175 1.898 1.00 0.39 C ATOM 1275 C TYR A 135 -4.843 -8.550 0.985 1.00 0.36 C ATOM 1276 O TYR A 135 -5.041 -8.858 -0.174 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.562 -9.448 2.559 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.847 -9.143 3.294 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.033 -8.944 2.576 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.855 -9.063 4.693 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.225 -8.665 3.255 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.047 -8.783 5.371 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.232 -8.584 4.652 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.408 -8.311 5.322 1.00 1.17 O ATOM 0 H TYR A 135 -7.735 -8.219 0.630 1.00 0.41 H new ATOM 0 HA TYR A 135 -5.699 -7.472 2.666 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.738 -10.214 1.803 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -5.823 -9.849 3.253 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.028 -9.006 1.498 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.941 -9.217 5.248 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.139 -8.512 2.701 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.053 -8.720 6.449 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.238 -8.291 6.287 1.00 1.17 H new ATOM 1294 N PRO A 136 -3.630 -8.544 1.486 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.433 -8.913 0.673 1.00 0.38 C ATOM 1296 C PRO A 136 -2.259 -10.430 0.543 1.00 0.37 C ATOM 1297 O PRO A 136 -2.305 -11.154 1.518 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.274 -8.319 1.475 1.00 0.42 C ATOM 1299 CG PRO A 136 -1.730 -8.405 2.896 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.248 -8.186 2.869 1.00 0.44 C ATOM 0 HA PRO A 136 -2.506 -8.544 -0.350 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.352 -8.879 1.318 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.074 -7.288 1.182 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.484 -9.376 3.326 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.238 -7.650 3.510 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -3.756 -8.815 3.600 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.508 -7.153 3.101 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.041 -10.914 -0.647 1.00 0.40 N ATOM 1309 CA LEU A 137 -1.843 -12.377 -0.819 1.00 0.43 C ATOM 1310 C LEU A 137 -0.567 -12.784 -0.073 1.00 0.41 C ATOM 1311 O LEU A 137 -0.560 -13.719 0.702 1.00 0.38 O ATOM 1312 CB LEU A 137 -1.712 -12.705 -2.319 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.112 -12.876 -2.949 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.044 -12.599 -4.454 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -3.614 -14.312 -2.734 1.00 0.92 C ATOM 0 H LEU A 137 -1.992 -10.362 -1.503 1.00 0.40 H new ATOM 0 HA LEU A 137 -2.694 -12.926 -0.416 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.171 -11.907 -2.828 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.132 -13.618 -2.450 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.795 -12.172 -2.473 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.035 -12.721 -4.892 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.697 -11.579 -4.621 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.352 -13.299 -4.922 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -4.602 -14.423 -3.182 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -2.923 -15.013 -3.202 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -3.674 -14.520 -1.666 1.00 0.92 H new ATOM 1327 N THR A 138 0.510 -12.081 -0.298 1.00 0.50 N ATOM 1328 CA THR A 138 1.782 -12.415 0.404 1.00 0.55 C ATOM 1329 C THR A 138 1.631 -12.112 1.897 1.00 0.47 C ATOM 1330 O THR A 138 0.808 -11.314 2.301 1.00 0.50 O ATOM 1331 CB THR A 138 2.930 -11.579 -0.185 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.444 -10.291 -0.533 1.00 0.98 O ATOM 1333 CG2 THR A 138 3.484 -12.270 -1.434 1.00 1.04 C ATOM 0 H THR A 138 0.564 -11.289 -0.938 1.00 0.50 H new ATOM 0 HA THR A 138 2.007 -13.473 0.271 1.00 0.55 H new ATOM 0 HB THR A 138 3.724 -11.483 0.555 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.706 -10.080 -1.454 1.00 0.98 H new ATOM 0 HG21 THR A 138 4.297 -11.675 -1.849 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.857 -13.259 -1.167 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.692 -12.369 -2.176 1.00 1.04 H new ATOM 1341 N PHE A 139 2.422 -12.751 2.717 1.00 0.51 N ATOM 1342 CA PHE A 139 2.339 -12.519 4.192 1.00 0.49 C ATOM 1343 C PHE A 139 3.441 -11.545 4.630 1.00 0.65 C ATOM 1344 O PHE A 139 4.425 -11.355 3.944 1.00 1.43 O ATOM 1345 CB PHE A 139 2.525 -13.856 4.915 1.00 0.52 C ATOM 1346 CG PHE A 139 2.485 -13.634 6.411 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.292 -13.234 7.024 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.638 -13.828 7.184 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.250 -13.029 8.408 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.596 -13.624 8.568 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.402 -13.223 9.180 1.00 0.66 C ATOM 0 H PHE A 139 3.127 -13.429 2.428 1.00 0.51 H new ATOM 0 HA PHE A 139 1.367 -12.092 4.440 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.741 -14.553 4.620 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.476 -14.306 4.629 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.403 -13.083 6.429 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.559 -14.135 6.711 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.329 -12.721 8.881 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.484 -13.776 9.164 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.370 -13.063 10.248 1.00 0.66 H new ATOM 1361 N GLY A 140 3.282 -10.930 5.775 1.00 0.46 N ATOM 1362 CA GLY A 140 4.317 -9.972 6.276 1.00 0.43 C ATOM 1363 C GLY A 140 3.905 -8.542 5.937 1.00 0.35 C ATOM 1364 O GLY A 140 4.072 -7.632 6.724 1.00 0.32 O ATOM 0 H GLY A 140 2.476 -11.050 6.388 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.435 -10.080 7.354 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.283 -10.198 5.826 1.00 0.43 H new ATOM 1368 N TRP A 141 3.363 -8.335 4.774 1.00 0.34 N ATOM 1369 CA TRP A 141 2.936 -6.959 4.390 1.00 0.29 C ATOM 1370 C TRP A 141 1.664 -6.621 5.171 1.00 0.32 C ATOM 1371 O TRP A 141 0.574 -7.027 4.826 1.00 0.40 O ATOM 1372 CB TRP A 141 2.704 -6.928 2.872 1.00 0.33 C ATOM 1373 CG TRP A 141 2.483 -5.531 2.355 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.463 -5.192 1.536 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.269 -4.301 2.552 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.549 -3.850 1.229 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.637 -3.255 1.828 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.441 -3.976 3.278 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.139 -1.957 1.819 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.944 -2.663 3.266 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.293 -1.658 2.539 1.00 0.33 C ATOM 0 H TRP A 141 3.196 -9.055 4.071 1.00 0.34 H new ATOM 0 HA TRP A 141 3.695 -6.215 4.631 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.564 -7.368 2.366 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.839 -7.545 2.626 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.700 -5.867 1.178 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.886 -3.357 0.630 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.951 -4.741 3.844 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.636 -1.185 1.256 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.840 -2.427 3.822 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.686 -0.652 2.537 1.00 0.33 H new ATOM 1392 N CYS A 142 1.823 -5.910 6.258 1.00 0.31 N ATOM 1393 CA CYS A 142 0.664 -5.563 7.126 1.00 0.40 C ATOM 1394 C CYS A 142 -0.109 -4.372 6.565 1.00 0.39 C ATOM 1395 O CYS A 142 -0.347 -3.395 7.246 1.00 0.48 O ATOM 1396 CB CYS A 142 1.188 -5.235 8.518 1.00 0.47 C ATOM 1397 SG CYS A 142 1.576 -6.780 9.379 1.00 1.45 S ATOM 0 H CYS A 142 2.721 -5.551 6.583 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.021 -6.410 7.167 1.00 0.40 H new ATOM 0 HB2 CYS A 142 2.078 -4.609 8.448 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.443 -4.669 9.077 1.00 0.47 H new ATOM 0 HG CYS A 142 2.620 -7.330 8.834 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.511 -4.464 5.336 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.293 -3.363 4.685 1.00 0.40 C ATOM 1405 C TYR A 143 -2.770 -3.802 4.556 1.00 0.43 C ATOM 1406 O TYR A 143 -3.072 -4.896 4.134 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.613 -3.062 3.312 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.506 -3.395 2.124 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -1.894 -4.719 1.900 1.00 2.16 C ATOM 1410 CD2 TYR A 143 -1.933 -2.390 1.249 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -2.713 -5.038 0.814 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -2.750 -2.707 0.162 1.00 3.14 C ATOM 1413 CZ TYR A 143 -3.145 -4.031 -0.057 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.953 -4.342 -1.130 1.00 4.57 O ATOM 0 H TYR A 143 -0.332 -5.268 4.735 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.295 -2.445 5.273 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.340 -2.008 3.271 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.312 -3.634 3.237 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.559 -5.498 2.569 1.00 2.16 H new ATOM 0 HD2 TYR A 143 -1.630 -1.367 1.415 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -3.013 -6.062 0.646 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -3.078 -1.928 -0.511 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.399 -4.647 -1.879 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.698 -2.965 4.962 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.151 -3.343 4.876 1.00 0.51 C ATOM 1426 C LYS A 144 -5.956 -2.192 4.272 1.00 0.43 C ATOM 1427 O LYS A 144 -6.253 -1.224 4.944 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.685 -3.646 6.279 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.113 -4.975 6.781 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.888 -5.423 8.021 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.369 -6.785 8.482 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.820 -7.838 7.527 1.00 2.32 N ATOM 0 H LYS A 144 -3.515 -2.039 5.348 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.251 -4.225 4.243 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.412 -2.842 6.962 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.774 -3.693 6.260 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.184 -5.733 6.000 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.056 -4.862 7.020 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.774 -4.689 8.819 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.952 -5.485 7.795 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -4.281 -6.772 8.538 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.737 -7.006 9.484 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.887 -8.750 8.022 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.753 -7.583 7.144 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -5.135 -7.916 6.748 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.342 -2.279 3.024 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.152 -1.165 2.444 1.00 0.37 C ATOM 1448 C LEU A 145 -8.590 -1.300 2.953 1.00 0.38 C ATOM 1449 O LEU A 145 -9.114 -2.396 3.067 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.137 -1.222 0.906 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.828 -0.618 0.356 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.568 -1.169 -1.052 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.929 0.924 0.285 1.00 0.52 C ATOM 0 H LEU A 145 -6.137 -3.054 2.394 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.727 -0.209 2.750 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.236 -2.255 0.573 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.992 -0.676 0.508 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.010 -0.889 1.024 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.644 -0.744 -1.444 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.478 -2.254 -1.007 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.397 -0.900 -1.707 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.997 1.332 -0.105 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.751 1.205 -0.373 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.110 1.323 1.283 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.229 -0.197 3.260 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.632 -0.246 3.776 1.00 0.50 C ATOM 1467 C VAL A 146 -11.305 1.121 3.513 1.00 0.59 C ATOM 1468 O VAL A 146 -10.754 2.143 3.868 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.603 -0.476 5.298 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.027 -0.429 5.857 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.989 -1.841 5.620 1.00 0.56 C ATOM 0 H VAL A 146 -8.836 0.740 3.175 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.178 -1.049 3.281 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.999 0.308 5.753 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.001 -0.592 6.934 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.468 0.546 5.649 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.628 -1.207 5.387 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.976 -1.988 6.700 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.584 -2.627 5.154 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.970 -1.881 5.236 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.484 1.167 2.910 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.181 2.464 2.647 1.00 0.81 C ATOM 1483 C PRO A 147 -13.241 3.362 3.894 1.00 0.91 C ATOM 1484 O PRO A 147 -12.753 3.014 4.951 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.594 2.049 2.209 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.442 0.670 1.652 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.276 0.022 2.408 1.00 0.75 C ATOM 0 HA PRO A 147 -12.655 3.055 1.898 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.286 2.060 3.051 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.992 2.734 1.461 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.358 0.095 1.785 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.239 0.704 0.582 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.632 -0.605 3.226 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.682 -0.615 1.753 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.319 4.658 -0.981 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.765 3.651 -0.009 1.00 0.52 C ATOM 1782 C LEU A 181 -8.550 4.229 0.722 1.00 0.47 C ATOM 1783 O LEU A 181 -7.777 4.967 0.155 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.321 2.399 -0.773 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.475 1.860 -1.632 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.919 0.890 -2.678 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.489 1.120 -0.751 1.00 0.87 C ATOM 0 HA LEU A 181 -10.541 3.402 0.715 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.467 2.636 -1.407 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -8.994 1.633 -0.070 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.970 2.697 -2.124 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.736 0.506 -3.289 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.204 1.412 -3.314 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.420 0.061 -2.176 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.302 0.743 -1.371 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.996 0.286 -0.251 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.890 1.805 -0.004 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.383 3.894 1.984 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.216 4.412 2.773 1.00 0.45 C ATOM 1801 C GLU A 182 -6.322 3.269 3.260 1.00 0.42 C ATOM 1802 O GLU A 182 -6.769 2.177 3.554 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.730 5.203 3.983 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.959 4.499 4.562 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.353 5.166 5.880 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.677 6.343 5.853 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.326 4.490 6.896 1.00 1.62 O ATOM 0 H GLU A 182 -9.010 3.280 2.503 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.625 5.057 2.123 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.950 5.279 4.740 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -7.986 6.220 3.685 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.787 4.549 3.855 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.743 3.443 4.726 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.049 3.554 3.361 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.063 2.551 3.845 1.00 0.38 C ATOM 1816 C TRP A 183 -4.173 2.399 5.364 1.00 0.37 C ATOM 1817 O TRP A 183 -3.735 3.252 6.111 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.634 3.027 3.489 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.193 2.476 2.171 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.846 1.191 1.975 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.012 3.150 0.892 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.465 1.021 0.656 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.550 2.204 -0.053 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.202 4.472 0.464 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.283 2.561 -1.376 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -1.935 4.838 -0.865 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.475 3.883 -1.783 1.00 0.41 C ATOM 0 H TRP A 183 -4.647 4.460 3.122 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.268 1.592 3.370 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.608 4.116 3.458 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.939 2.714 4.268 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.862 0.416 2.727 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.160 0.133 0.257 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.557 5.215 1.163 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -0.931 1.821 -2.079 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.085 5.860 -1.182 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.269 4.170 -2.804 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.711 1.304 5.828 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.798 1.084 7.300 1.00 0.35 C ATOM 1840 C ARG A 184 -3.600 0.231 7.708 1.00 0.31 C ATOM 1841 O ARG A 184 -3.654 -0.985 7.709 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.097 0.353 7.647 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.222 0.241 9.168 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.632 -0.227 9.533 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.628 0.767 9.042 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.894 0.451 8.988 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.286 -0.731 9.375 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.765 1.319 8.552 1.00 2.61 N ATOM 0 H ARG A 184 -5.093 0.553 5.253 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.792 2.037 7.829 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.952 0.892 7.239 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.101 -0.639 7.196 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.483 -0.462 9.553 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.016 1.206 9.632 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.828 -1.204 9.091 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.720 -0.343 10.613 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.321 1.694 8.748 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.604 -1.407 9.719 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.274 -0.979 9.334 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -10.457 2.244 8.253 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.754 1.072 8.510 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.508 0.866 8.027 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.281 0.113 8.417 1.00 0.31 C ATOM 1864 C PHE A 185 -1.502 -0.555 9.780 1.00 0.31 C ATOM 1865 O PHE A 185 -1.967 0.065 10.717 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.109 1.104 8.481 1.00 0.40 C ATOM 1867 CG PHE A 185 1.095 0.505 9.185 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.587 -0.755 8.811 1.00 0.62 C ATOM 1869 CD2 PHE A 185 1.738 1.227 10.202 1.00 0.65 C ATOM 1870 CE1 PHE A 185 2.713 -1.285 9.452 1.00 0.74 C ATOM 1871 CE2 PHE A 185 2.859 0.694 10.844 1.00 0.75 C ATOM 1872 CZ PHE A 185 3.349 -0.560 10.468 1.00 0.71 C ATOM 0 H PHE A 185 -2.411 1.881 8.035 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.059 -0.666 7.688 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.171 1.402 7.471 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.424 2.007 9.004 1.00 0.40 H new ATOM 0 HD1 PHE A 185 1.097 -1.316 8.029 1.00 0.62 H new ATOM 0 HD2 PHE A 185 1.365 2.199 10.490 1.00 0.65 H new ATOM 0 HE1 PHE A 185 3.092 -2.254 9.163 1.00 0.74 H new ATOM 0 HE2 PHE A 185 3.347 1.251 11.630 1.00 0.75 H new ATOM 0 HZ PHE A 185 4.218 -0.970 10.961 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.191 -1.822 9.894 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.398 -2.541 11.184 1.00 0.32 C ATOM 1884 C ASP A 186 -0.367 -3.667 11.309 1.00 0.30 C ATOM 1885 O ASP A 186 -0.666 -4.824 11.082 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.807 -3.130 11.180 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.236 -3.475 12.609 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.858 -2.747 13.514 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.936 -4.460 12.774 1.00 1.23 O ATOM 0 H ASP A 186 -0.800 -2.391 9.143 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.279 -1.858 12.025 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.507 -2.417 10.744 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.834 -4.024 10.558 1.00 0.37 H new ATOM 1894 N SER A 187 0.846 -3.326 11.655 1.00 0.33 N ATOM 1895 CA SER A 187 1.929 -4.348 11.787 1.00 0.34 C ATOM 1896 C SER A 187 1.439 -5.584 12.555 1.00 0.35 C ATOM 1897 O SER A 187 2.128 -6.581 12.626 1.00 0.37 O ATOM 1898 CB SER A 187 3.101 -3.736 12.552 1.00 0.40 C ATOM 1899 OG SER A 187 2.669 -3.372 13.857 1.00 1.32 O ATOM 0 H SER A 187 1.138 -2.369 11.855 1.00 0.33 H new ATOM 0 HA SER A 187 2.232 -4.654 10.786 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.923 -4.450 12.614 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.478 -2.861 12.023 1.00 0.40 H new ATOM 0 HG SER A 187 3.418 -2.980 14.352 1.00 1.32 H new ATOM 1905 N ARG A 188 0.275 -5.536 13.142 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.207 -6.724 13.906 1.00 0.46 C ATOM 1907 C ARG A 188 -0.380 -7.915 12.958 1.00 0.42 C ATOM 1908 O ARG A 188 -0.091 -9.042 13.310 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.550 -6.406 14.569 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.976 -7.593 15.436 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.128 -7.178 16.353 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.593 -6.361 17.478 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.407 -5.673 18.231 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.693 -5.717 18.012 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -2.937 -4.947 19.206 1.00 3.87 N ATOM 0 H ARG A 188 -0.358 -4.736 13.127 1.00 0.40 H new ATOM 0 HA ARG A 188 0.526 -6.973 14.673 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.464 -5.507 15.179 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.306 -6.205 13.810 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.285 -8.425 14.803 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.132 -7.941 16.032 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.866 -6.605 15.792 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.636 -8.061 16.740 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.590 -6.339 17.660 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.062 -6.289 17.252 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.329 -5.179 18.601 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -1.933 -4.916 19.381 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -3.574 -4.409 19.794 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.841 -7.680 11.762 1.00 0.43 N ATOM 1930 CA LEU A 189 -1.018 -8.806 10.803 1.00 0.46 C ATOM 1931 C LEU A 189 0.341 -9.466 10.554 1.00 0.41 C ATOM 1932 O LEU A 189 0.443 -10.462 9.867 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.607 -8.268 9.486 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.667 -9.388 8.409 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.945 -9.240 7.568 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.441 -9.306 7.473 1.00 1.78 C ATOM 0 H LEU A 189 -1.102 -6.760 11.407 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.704 -9.547 11.214 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -2.608 -7.875 9.664 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.999 -7.440 9.122 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.668 -10.351 8.919 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.979 -10.028 6.816 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.818 -9.318 8.216 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.945 -8.268 7.075 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -0.500 -10.097 6.726 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.428 -8.337 6.975 1.00 1.78 H new ATOM 0 HD23 LEU A 189 0.471 -9.426 8.057 1.00 1.78 H new ATOM 1948 N ALA A 190 1.386 -8.922 11.119 1.00 0.37 N ATOM 1949 CA ALA A 190 2.735 -9.525 10.922 1.00 0.42 C ATOM 1950 C ALA A 190 2.851 -10.773 11.794 1.00 0.44 C ATOM 1951 O ALA A 190 3.846 -11.470 11.767 1.00 0.53 O ATOM 1952 CB ALA A 190 3.815 -8.522 11.337 1.00 0.47 C ATOM 0 H ALA A 190 1.363 -8.089 11.707 1.00 0.37 H new ATOM 0 HA ALA A 190 2.868 -9.786 9.872 1.00 0.42 H new ATOM 0 HB1 ALA A 190 4.800 -8.967 11.192 1.00 0.47 H new ATOM 0 HB2 ALA A 190 3.729 -7.622 10.728 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.686 -8.262 12.388 1.00 0.47 H new ATOM 1958 N PHE A 191 1.835 -11.057 12.572 1.00 0.42 N ATOM 1959 CA PHE A 191 1.865 -12.260 13.464 1.00 0.51 C ATOM 1960 C PHE A 191 0.554 -13.037 13.322 1.00 0.56 C ATOM 1961 O PHE A 191 0.289 -13.965 14.061 1.00 0.96 O ATOM 1962 CB PHE A 191 2.028 -11.807 14.917 1.00 0.58 C ATOM 1963 CG PHE A 191 3.410 -11.233 15.112 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.663 -9.893 14.795 1.00 1.98 C ATOM 1965 CD2 PHE A 191 4.439 -12.041 15.610 1.00 1.81 C ATOM 1966 CE1 PHE A 191 4.946 -9.361 14.975 1.00 2.87 C ATOM 1967 CE2 PHE A 191 5.722 -11.509 15.789 1.00 2.75 C ATOM 1968 CZ PHE A 191 5.975 -10.169 15.472 1.00 3.15 C ATOM 0 H PHE A 191 0.980 -10.504 12.628 1.00 0.42 H new ATOM 0 HA PHE A 191 2.700 -12.901 13.181 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.274 -11.059 15.163 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.874 -12.649 15.591 1.00 0.58 H new ATOM 0 HD1 PHE A 191 2.869 -9.270 14.412 1.00 1.98 H new ATOM 0 HD2 PHE A 191 4.243 -13.074 15.856 1.00 1.81 H new ATOM 0 HE1 PHE A 191 5.141 -8.327 14.730 1.00 2.87 H new ATOM 0 HE2 PHE A 191 6.516 -12.133 16.172 1.00 2.75 H new ATOM 0 HZ PHE A 191 6.964 -9.759 15.611 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.267 -12.670 12.376 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.559 -13.390 12.188 1.00 0.72 C ATOM 1980 C HIS A 192 -2.032 -13.220 10.742 1.00 0.67 C ATOM 1981 O HIS A 192 -2.418 -12.145 10.328 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.609 -12.812 13.139 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.162 -13.011 14.562 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -2.216 -14.247 15.188 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.652 -12.141 15.494 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -1.751 -14.087 16.441 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -1.393 -12.822 16.679 1.00 3.35 N ATOM 0 H HIS A 192 -0.099 -11.903 11.725 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.419 -14.449 12.403 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.753 -11.751 12.937 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.570 -13.300 12.977 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.478 -11.088 15.332 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -1.676 -14.884 17.166 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -1.012 -12.438 17.544 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.005 -14.273 9.970 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.454 -14.171 8.551 1.00 0.85 C ATOM 1997 C HIS A 193 -3.977 -14.310 8.486 1.00 0.74 C ATOM 1998 O HIS A 193 -4.512 -15.401 8.501 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.804 -15.285 7.729 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.942 -16.594 8.457 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.764 -16.742 9.563 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -1.369 -17.824 8.248 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.664 -18.019 9.974 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.826 -18.722 9.207 1.00 3.87 N ATOM 0 H HIS A 193 -1.692 -15.199 10.260 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.160 -13.203 8.146 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.276 -15.351 6.749 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.751 -15.060 7.561 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -0.670 -18.059 7.459 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.196 -18.426 10.821 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.575 -19.706 9.304 1.00 3.87 H new ATOM 2012 N MET A 194 -4.678 -13.211 8.411 1.00 0.73 N ATOM 2013 CA MET A 194 -6.165 -13.279 8.344 1.00 0.79 C ATOM 2014 C MET A 194 -6.593 -13.683 6.932 1.00 0.75 C ATOM 2015 O MET A 194 -7.617 -14.307 6.736 1.00 0.90 O ATOM 2016 CB MET A 194 -6.754 -11.907 8.683 1.00 0.91 C ATOM 2017 CG MET A 194 -6.468 -11.572 10.149 1.00 1.47 C ATOM 2018 SD MET A 194 -7.603 -12.498 11.212 1.00 2.35 S ATOM 2019 CE MET A 194 -6.626 -12.395 12.731 1.00 2.94 C ATOM 0 H MET A 194 -4.285 -12.270 8.393 1.00 0.73 H new ATOM 0 HA MET A 194 -6.528 -14.017 9.059 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.322 -11.145 8.035 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.829 -11.907 8.503 1.00 0.91 H new ATOM 0 HG2 MET A 194 -5.436 -11.822 10.396 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.586 -10.502 10.318 1.00 1.47 H new ATOM 0 HE1 MET A 194 -7.284 -12.492 13.594 1.00 2.94 H new ATOM 0 HE2 MET A 194 -5.889 -13.198 12.745 1.00 2.94 H new ATOM 0 HE3 MET A 194 -6.115 -11.433 12.770 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.817 -13.328 5.945 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.178 -13.687 4.543 1.00 0.76 C ATOM 2031 C ALA A 195 -6.452 -15.190 4.449 1.00 0.90 C ATOM 2032 O ALA A 195 -7.287 -15.629 3.683 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.020 -13.322 3.611 1.00 0.82 C ATOM 0 H ALA A 195 -4.948 -12.804 6.048 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.073 -13.138 4.249 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.282 -13.584 2.586 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.826 -12.251 3.674 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.127 -13.871 3.909 1.00 0.82 H new