USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=21 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= -2.66 K(o=-3.5,f=-4.2) USER MOD Set 1.2: A 127 TYR OH : rot -147:sc= -0.881 USER MOD Set 2.1: A 88 SER OG : rot -44:sc= -0.647! USER MOD Set 2.2: A 89 HIS : no HE2:sc= -3.84! C(o=-6.8!,f=-21!) USER MOD Set 2.3: A 142 CYS SG : rot -112:sc= -2.64 USER MOD Set 2.4: A 187 SER OG : rot 124:sc= 0.358 USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.01! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -154:sc=-0.00326 (180deg=-0.276) USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= 0.25 (180deg=-0.0504) USER MOD Single : A 102 HIS : no HE2:sc= -1.12 K(o=-1.1,f=-3!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN :FLIP amide:sc= -2.78! C(o=-5.7!,f=-2.8!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -0.165 X(o=-0.16,f=-0.16) USER MOD Single : A 117 THR OG1 : rot -102:sc= 0.459 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.335 F(o=-2.5!,f=-0.34) USER MOD Single : A 120 TYR OH : rot 180:sc= -0.484 USER MOD Single : A 126 ASN : amide:sc= -3.15! C(o=-3.1!,f=-3.4!) 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 -151:sc= 1.23 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.47 USER MOD Single : A 144 LYS NZ :NH3+ 148:sc= 0.105 (180deg=0) USER MOD Single : A 192 HIS : no HD1:sc= -4.08! C(o=-4.1!,f=-11!) USER MOD Single : A 193 HIS : no HD1:sc= -1.84 K(o=-1.8,f=-2.6!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.819 -0.224 -8.286 1.00 1.04 N ATOM 275 CA VAL A 74 19.914 -0.621 -7.356 1.00 0.93 C ATOM 276 C VAL A 74 19.991 -2.151 -7.334 1.00 0.86 C ATOM 277 O VAL A 74 19.016 -2.815 -7.626 1.00 0.89 O ATOM 278 CB VAL A 74 19.584 -0.096 -5.950 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.949 1.387 -5.853 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.086 -0.266 -5.688 1.00 1.38 C ATOM 0 HA VAL A 74 20.868 -0.206 -7.680 1.00 0.93 H new ATOM 0 HB VAL A 74 20.155 -0.657 -5.211 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.713 1.755 -4.854 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.015 1.513 -6.044 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.379 1.951 -6.591 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.847 0.105 -4.691 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.521 0.297 -6.430 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.822 -1.322 -5.755 1.00 1.38 H new ATOM 290 N PRO A 75 21.130 -2.714 -6.996 1.00 0.93 N ATOM 291 CA PRO A 75 21.306 -4.191 -6.946 1.00 1.00 C ATOM 292 C PRO A 75 20.028 -4.905 -6.498 1.00 0.88 C ATOM 293 O PRO A 75 19.623 -4.825 -5.356 1.00 0.84 O ATOM 294 CB PRO A 75 22.428 -4.353 -5.926 1.00 1.18 C ATOM 295 CG PRO A 75 23.305 -3.156 -6.145 1.00 1.37 C ATOM 296 CD PRO A 75 22.382 -2.019 -6.630 1.00 1.13 C ATOM 0 HA PRO A 75 21.533 -4.630 -7.917 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.039 -4.380 -4.908 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.977 -5.282 -6.082 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.815 -2.875 -5.224 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.077 -3.371 -6.884 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.215 -1.278 -5.848 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.811 -1.492 -7.482 1.00 1.13 H new ATOM 304 N LEU A 76 19.378 -5.580 -7.407 1.00 0.86 N ATOM 305 CA LEU A 76 18.108 -6.278 -7.058 1.00 0.77 C ATOM 306 C LEU A 76 18.368 -7.343 -5.992 1.00 0.77 C ATOM 307 O LEU A 76 18.771 -8.450 -6.288 1.00 0.85 O ATOM 308 CB LEU A 76 17.526 -6.948 -8.309 1.00 0.84 C ATOM 309 CG LEU A 76 17.164 -5.889 -9.362 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.841 -6.589 -10.688 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.940 -5.071 -8.906 1.00 0.76 C ATOM 0 H LEU A 76 19.673 -5.678 -8.379 1.00 0.86 H new ATOM 0 HA LEU A 76 17.400 -5.546 -6.670 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.249 -7.650 -8.723 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.640 -7.523 -8.042 1.00 0.84 H new ATOM 0 HG LEU A 76 18.010 -5.213 -9.490 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.583 -5.843 -11.440 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.711 -7.155 -11.022 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.999 -7.267 -10.546 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.698 -4.326 -9.664 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.089 -5.737 -8.767 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.167 -4.571 -7.965 1.00 0.76 H new ATOM 323 N ARG A 77 18.115 -7.019 -4.754 1.00 0.74 N ATOM 324 CA ARG A 77 18.317 -8.014 -3.660 1.00 0.79 C ATOM 325 C ARG A 77 17.065 -8.906 -3.601 1.00 0.71 C ATOM 326 O ARG A 77 16.151 -8.738 -4.384 1.00 0.73 O ATOM 327 CB ARG A 77 18.538 -7.279 -2.313 1.00 0.85 C ATOM 328 CG ARG A 77 18.939 -5.820 -2.562 1.00 1.19 C ATOM 329 CD ARG A 77 19.282 -5.152 -1.228 1.00 1.52 C ATOM 330 NE ARG A 77 20.617 -5.624 -0.763 1.00 2.13 N ATOM 331 CZ ARG A 77 21.238 -4.982 0.189 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.691 -3.928 0.730 1.00 2.73 N ATOM 333 NH2 ARG A 77 22.407 -5.393 0.599 1.00 3.61 N ATOM 0 H ARG A 77 17.776 -6.106 -4.451 1.00 0.74 H new ATOM 0 HA ARG A 77 19.198 -8.627 -3.850 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.626 -7.316 -1.717 1.00 0.85 H new ATOM 0 HB3 ARG A 77 19.315 -7.784 -1.739 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.796 -5.777 -3.234 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.124 -5.286 -3.050 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.288 -4.068 -1.343 1.00 1.52 H new ATOM 0 HD3 ARG A 77 18.521 -5.390 -0.484 1.00 1.52 H new ATOM 0 HE ARG A 77 21.045 -6.447 -1.188 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.778 -3.606 0.409 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.176 -3.427 1.474 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.836 -6.216 0.176 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.892 -4.891 1.343 1.00 3.61 H new ATOM 347 N PRO A 78 17.010 -9.844 -2.688 1.00 0.79 N ATOM 348 CA PRO A 78 15.845 -10.751 -2.549 1.00 0.76 C ATOM 349 C PRO A 78 14.791 -10.189 -1.585 1.00 0.67 C ATOM 350 O PRO A 78 15.051 -9.989 -0.415 1.00 0.69 O ATOM 351 CB PRO A 78 16.481 -12.028 -1.994 1.00 0.86 C ATOM 352 CG PRO A 78 17.650 -11.557 -1.168 1.00 1.18 C ATOM 353 CD PRO A 78 18.043 -10.155 -1.687 1.00 1.06 C ATOM 0 HA PRO A 78 15.308 -10.901 -3.486 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.771 -12.591 -1.388 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.807 -12.688 -2.798 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.383 -11.515 -0.112 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.488 -12.249 -1.257 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.053 -9.420 -0.882 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.039 -10.158 -2.129 1.00 1.06 H new ATOM 361 N MET A 79 13.604 -9.931 -2.068 1.00 0.65 N ATOM 362 CA MET A 79 12.541 -9.381 -1.179 1.00 0.61 C ATOM 363 C MET A 79 12.182 -10.424 -0.119 1.00 0.51 C ATOM 364 O MET A 79 11.520 -11.404 -0.396 1.00 0.56 O ATOM 365 CB MET A 79 11.300 -9.038 -2.011 1.00 0.66 C ATOM 366 CG MET A 79 10.378 -8.122 -1.204 1.00 0.74 C ATOM 367 SD MET A 79 11.077 -6.453 -1.155 1.00 1.25 S ATOM 368 CE MET A 79 9.848 -5.726 -0.044 1.00 0.83 C ATOM 0 H MET A 79 13.326 -10.077 -3.038 1.00 0.65 H new ATOM 0 HA MET A 79 12.903 -8.476 -0.691 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.596 -8.547 -2.938 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.772 -9.950 -2.288 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.386 -8.099 -1.654 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.260 -8.508 -0.192 1.00 0.74 H new ATOM 0 HE1 MET A 79 10.089 -4.677 0.128 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.859 -5.802 -0.496 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.855 -6.260 0.906 1.00 0.83 H new ATOM 378 N THR A 80 12.632 -10.227 1.092 1.00 0.56 N ATOM 379 CA THR A 80 12.339 -11.211 2.175 1.00 0.60 C ATOM 380 C THR A 80 11.014 -10.891 2.842 1.00 0.56 C ATOM 381 O THR A 80 10.623 -9.749 2.955 1.00 0.50 O ATOM 382 CB THR A 80 13.456 -11.166 3.225 1.00 0.77 C ATOM 383 OG1 THR A 80 13.243 -10.069 4.100 1.00 0.94 O ATOM 384 CG2 THR A 80 14.810 -11.009 2.529 1.00 0.73 C ATOM 0 H THR A 80 13.192 -9.424 1.379 1.00 0.56 H new ATOM 0 HA THR A 80 12.282 -12.206 1.734 1.00 0.60 H new ATOM 0 HB THR A 80 13.449 -12.093 3.798 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.032 -9.945 4.668 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.602 -10.977 3.277 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.976 -11.854 1.861 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.818 -10.084 1.953 1.00 0.73 H new ATOM 392 N TYR A 81 10.323 -11.897 3.322 1.00 0.61 N ATOM 393 CA TYR A 81 9.040 -11.635 4.026 1.00 0.60 C ATOM 394 C TYR A 81 9.369 -10.593 5.093 1.00 0.51 C ATOM 395 O TYR A 81 8.679 -9.609 5.272 1.00 0.45 O ATOM 396 CB TYR A 81 8.516 -12.964 4.638 1.00 0.69 C ATOM 397 CG TYR A 81 8.377 -12.878 6.148 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.243 -12.285 6.713 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.386 -13.387 6.974 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.116 -12.202 8.105 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.260 -13.305 8.366 1.00 0.77 C ATOM 402 CZ TYR A 81 8.125 -12.712 8.932 1.00 0.73 C ATOM 403 OH TYR A 81 8.000 -12.629 10.303 1.00 0.90 O ATOM 0 H TYR A 81 10.593 -12.878 3.255 1.00 0.61 H new ATOM 0 HA TYR A 81 8.253 -11.264 3.369 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.549 -13.210 4.198 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.198 -13.775 4.382 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.465 -11.891 6.075 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.262 -13.843 6.537 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.240 -11.745 8.541 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.038 -13.699 9.003 1.00 0.77 H new ATOM 0 HH TYR A 81 8.786 -13.031 10.728 1.00 0.90 H new ATOM 413 N LYS A 82 10.468 -10.802 5.759 1.00 0.52 N ATOM 414 CA LYS A 82 10.919 -9.829 6.774 1.00 0.48 C ATOM 415 C LYS A 82 11.129 -8.488 6.073 1.00 0.40 C ATOM 416 O LYS A 82 10.976 -7.439 6.667 1.00 0.38 O ATOM 417 CB LYS A 82 12.235 -10.306 7.396 1.00 0.55 C ATOM 418 CG LYS A 82 12.495 -9.543 8.697 1.00 0.60 C ATOM 419 CD LYS A 82 13.820 -10.008 9.304 1.00 0.92 C ATOM 420 CE LYS A 82 14.104 -9.216 10.581 1.00 1.49 C ATOM 421 NZ LYS A 82 14.474 -7.817 10.224 1.00 2.32 N ATOM 0 H LYS A 82 11.074 -11.613 5.639 1.00 0.52 H new ATOM 0 HA LYS A 82 10.178 -9.730 7.567 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.188 -11.377 7.594 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.057 -10.146 6.699 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.528 -8.471 8.502 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.680 -9.714 9.401 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.775 -11.074 9.527 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.630 -9.866 8.588 1.00 0.92 H new ATOM 0 HE2 LYS A 82 13.226 -9.218 11.226 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.912 -9.686 11.141 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.070 -7.413 10.974 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 14.999 -7.815 9.326 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.611 -7.245 10.122 1.00 2.32 H new ATOM 435 N ALA A 83 11.474 -8.504 4.801 1.00 0.42 N ATOM 436 CA ALA A 83 11.677 -7.206 4.093 1.00 0.41 C ATOM 437 C ALA A 83 10.349 -6.439 4.065 1.00 0.35 C ATOM 438 O ALA A 83 10.315 -5.231 4.192 1.00 0.34 O ATOM 439 CB ALA A 83 12.158 -7.458 2.659 1.00 0.52 C ATOM 0 H ALA A 83 11.619 -9.343 4.239 1.00 0.42 H new ATOM 0 HA ALA A 83 12.432 -6.620 4.618 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.303 -6.505 2.151 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.101 -8.004 2.682 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.412 -8.045 2.123 1.00 0.52 H new ATOM 445 N ALA A 84 9.256 -7.135 3.903 1.00 0.34 N ATOM 446 CA ALA A 84 7.929 -6.455 3.870 1.00 0.31 C ATOM 447 C ALA A 84 7.650 -5.798 5.224 1.00 0.28 C ATOM 448 O ALA A 84 7.280 -4.643 5.299 1.00 0.28 O ATOM 449 CB ALA A 84 6.839 -7.485 3.570 1.00 0.34 C ATOM 0 H ALA A 84 9.225 -8.148 3.792 1.00 0.34 H new ATOM 0 HA ALA A 84 7.935 -5.690 3.094 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.868 -6.990 3.545 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.034 -7.950 2.604 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.837 -8.250 4.347 1.00 0.34 H new ATOM 455 N VAL A 85 7.818 -6.524 6.296 1.00 0.29 N ATOM 456 CA VAL A 85 7.554 -5.938 7.640 1.00 0.29 C ATOM 457 C VAL A 85 8.532 -4.793 7.898 1.00 0.29 C ATOM 458 O VAL A 85 8.149 -3.727 8.337 1.00 0.30 O ATOM 459 CB VAL A 85 7.725 -7.016 8.714 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.068 -6.557 10.017 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.062 -8.312 8.243 1.00 0.38 C ATOM 0 H VAL A 85 8.126 -7.496 6.299 1.00 0.29 H new ATOM 0 HA VAL A 85 6.534 -5.556 7.675 1.00 0.29 H new ATOM 0 HB VAL A 85 8.788 -7.187 8.886 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.192 -7.327 10.778 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.537 -5.633 10.355 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.005 -6.383 9.847 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.183 -9.081 9.006 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.000 -8.136 8.070 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.530 -8.644 7.316 1.00 0.38 H new ATOM 471 N ASP A 86 9.788 -4.991 7.619 1.00 0.30 N ATOM 472 CA ASP A 86 10.764 -3.895 7.842 1.00 0.32 C ATOM 473 C ASP A 86 10.347 -2.711 6.973 1.00 0.30 C ATOM 474 O ASP A 86 10.318 -1.579 7.412 1.00 0.31 O ATOM 475 CB ASP A 86 12.165 -4.366 7.441 1.00 0.36 C ATOM 476 CG ASP A 86 12.739 -5.261 8.542 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.960 -5.759 9.338 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.946 -5.432 8.570 1.00 1.05 O ATOM 0 H ASP A 86 10.178 -5.858 7.249 1.00 0.30 H new ATOM 0 HA ASP A 86 10.781 -3.605 8.893 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.120 -4.913 6.499 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.816 -3.507 7.280 1.00 0.36 H new ATOM 483 N LEU A 87 10.004 -2.975 5.743 1.00 0.29 N ATOM 484 CA LEU A 87 9.564 -1.883 4.836 1.00 0.30 C ATOM 485 C LEU A 87 8.286 -1.249 5.392 1.00 0.29 C ATOM 486 O LEU A 87 8.144 -0.043 5.414 1.00 0.30 O ATOM 487 CB LEU A 87 9.289 -2.465 3.442 1.00 0.33 C ATOM 488 CG LEU A 87 8.957 -1.342 2.438 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.234 -0.588 2.033 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.313 -1.950 1.186 1.00 0.44 C ATOM 0 H LEU A 87 10.010 -3.906 5.327 1.00 0.29 H new ATOM 0 HA LEU A 87 10.343 -1.124 4.765 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.160 -3.022 3.097 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.459 -3.170 3.494 1.00 0.33 H new ATOM 0 HG LEU A 87 8.267 -0.643 2.911 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.982 0.201 1.324 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.693 -0.147 2.918 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.935 -1.282 1.569 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.078 -1.157 0.476 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.006 -2.655 0.726 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.397 -2.471 1.464 1.00 0.44 H new ATOM 502 N SER A 88 7.346 -2.047 5.831 1.00 0.30 N ATOM 503 CA SER A 88 6.085 -1.467 6.367 1.00 0.34 C ATOM 504 C SER A 88 6.412 -0.422 7.436 1.00 0.33 C ATOM 505 O SER A 88 5.882 0.672 7.429 1.00 0.36 O ATOM 506 CB SER A 88 5.224 -2.574 6.975 1.00 0.40 C ATOM 507 OG SER A 88 5.881 -3.112 8.113 1.00 0.44 O ATOM 0 H SER A 88 7.399 -3.066 5.840 1.00 0.30 H new ATOM 0 HA SER A 88 5.536 -0.991 5.555 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.249 -2.177 7.258 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.048 -3.358 6.239 1.00 0.40 H new ATOM 0 HG SER A 88 6.829 -3.252 7.908 1.00 0.44 H new ATOM 513 N HIS A 89 7.278 -0.746 8.355 1.00 0.34 N ATOM 514 CA HIS A 89 7.630 0.234 9.420 1.00 0.36 C ATOM 515 C HIS A 89 8.524 1.329 8.840 1.00 0.36 C ATOM 516 O HIS A 89 8.455 2.472 9.244 1.00 0.41 O ATOM 517 CB HIS A 89 8.367 -0.480 10.556 1.00 0.41 C ATOM 518 CG HIS A 89 7.522 -1.612 11.074 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.660 -2.326 10.257 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.396 -2.166 12.325 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.060 -3.260 11.017 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.473 -3.207 12.286 1.00 0.82 N ATOM 0 H HIS A 89 7.756 -1.645 8.415 1.00 0.34 H new ATOM 0 HA HIS A 89 6.716 0.683 9.808 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.324 -0.861 10.199 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.584 0.223 11.360 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.508 -2.171 9.260 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.932 -1.843 13.205 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.333 -3.967 10.646 1.00 1.27 H new ATOM 530 N PHE A 90 9.363 1.000 7.896 1.00 0.34 N ATOM 531 CA PHE A 90 10.243 2.044 7.309 1.00 0.37 C ATOM 532 C PHE A 90 9.367 3.150 6.722 1.00 0.40 C ATOM 533 O PHE A 90 9.513 4.312 7.046 1.00 0.47 O ATOM 534 CB PHE A 90 11.110 1.430 6.206 1.00 0.38 C ATOM 535 CG PHE A 90 12.249 2.370 5.878 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.255 2.602 6.825 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.300 3.010 4.633 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.311 3.472 6.527 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.356 3.880 4.336 1.00 0.70 C ATOM 540 CZ PHE A 90 14.361 4.111 5.283 1.00 0.72 C ATOM 0 H PHE A 90 9.475 0.062 7.510 1.00 0.34 H new ATOM 0 HA PHE A 90 10.894 2.456 8.080 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.502 0.466 6.531 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.508 1.246 5.316 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.216 2.110 7.785 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.525 2.832 3.902 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.087 3.650 7.257 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.395 4.373 3.376 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.175 4.783 5.053 1.00 0.72 H new ATOM 550 N LEU A 91 8.450 2.794 5.867 1.00 0.37 N ATOM 551 CA LEU A 91 7.554 3.817 5.263 1.00 0.42 C ATOM 552 C LEU A 91 6.759 4.521 6.367 1.00 0.47 C ATOM 553 O LEU A 91 6.397 5.674 6.241 1.00 0.57 O ATOM 554 CB LEU A 91 6.583 3.137 4.292 1.00 0.41 C ATOM 555 CG LEU A 91 7.331 2.685 3.022 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.541 1.573 2.330 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.492 3.859 2.043 1.00 0.54 C ATOM 0 H LEU A 91 8.282 1.836 5.560 1.00 0.37 H new ATOM 0 HA LEU A 91 8.155 4.550 4.725 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.117 2.277 4.774 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.782 3.826 4.025 1.00 0.41 H new ATOM 0 HG LEU A 91 8.317 2.322 3.314 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.071 1.255 1.432 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.434 0.726 3.008 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.554 1.945 2.056 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.022 3.520 1.153 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.509 4.233 1.759 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.060 4.657 2.522 1.00 0.54 H new ATOM 569 N LYS A 92 6.475 3.838 7.446 1.00 0.45 N ATOM 570 CA LYS A 92 5.695 4.476 8.545 1.00 0.53 C ATOM 571 C LYS A 92 6.496 5.630 9.156 1.00 0.63 C ATOM 572 O LYS A 92 6.021 6.744 9.253 1.00 0.85 O ATOM 573 CB LYS A 92 5.398 3.435 9.626 1.00 0.54 C ATOM 574 CG LYS A 92 4.351 3.989 10.602 1.00 0.73 C ATOM 575 CD LYS A 92 4.313 3.132 11.883 1.00 1.20 C ATOM 576 CE LYS A 92 5.355 3.633 12.893 1.00 1.61 C ATOM 577 NZ LYS A 92 4.801 4.799 13.638 1.00 2.27 N ATOM 0 H LYS A 92 6.749 2.870 7.612 1.00 0.45 H new ATOM 0 HA LYS A 92 4.761 4.865 8.141 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.033 2.515 9.169 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.312 3.183 10.163 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.589 5.023 10.854 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.369 3.994 10.129 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.318 3.173 12.326 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.509 2.089 11.636 1.00 1.20 H new ATOM 0 HE2 LYS A 92 5.618 2.835 13.588 1.00 1.61 H new ATOM 0 HE3 LYS A 92 6.271 3.920 12.376 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 5.506 5.140 14.323 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.572 5.561 12.969 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.939 4.510 14.143 1.00 2.27 H new ATOM 591 N GLU A 93 7.702 5.369 9.579 1.00 0.62 N ATOM 592 CA GLU A 93 8.531 6.445 10.198 1.00 0.76 C ATOM 593 C GLU A 93 8.920 7.488 9.144 1.00 0.77 C ATOM 594 O GLU A 93 9.279 8.602 9.466 1.00 1.05 O ATOM 595 CB GLU A 93 9.801 5.828 10.788 1.00 0.94 C ATOM 596 CG GLU A 93 9.434 4.632 11.671 1.00 1.22 C ATOM 597 CD GLU A 93 10.712 3.964 12.180 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.433 4.601 12.930 1.00 2.54 O ATOM 599 OE2 GLU A 93 10.949 2.825 11.810 1.00 2.73 O ATOM 0 H GLU A 93 8.151 4.455 9.523 1.00 0.62 H new ATOM 0 HA GLU A 93 7.952 6.931 10.983 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.468 5.509 9.987 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.340 6.573 11.374 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.823 4.961 12.512 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.838 3.917 11.104 1.00 1.22 H new ATOM 606 N LYS A 94 8.861 7.135 7.890 1.00 0.80 N ATOM 607 CA LYS A 94 9.238 8.106 6.822 1.00 1.02 C ATOM 608 C LYS A 94 8.088 9.103 6.614 1.00 0.96 C ATOM 609 O LYS A 94 7.907 9.638 5.538 1.00 1.41 O ATOM 610 CB LYS A 94 9.537 7.328 5.515 1.00 1.39 C ATOM 611 CG LYS A 94 11.004 7.511 5.100 1.00 1.63 C ATOM 612 CD LYS A 94 11.257 6.774 3.784 1.00 2.18 C ATOM 613 CE LYS A 94 12.611 7.200 3.215 1.00 2.61 C ATOM 614 NZ LYS A 94 13.615 7.255 4.315 1.00 2.96 N ATOM 0 H LYS A 94 8.568 6.216 7.557 1.00 0.80 H new ATOM 0 HA LYS A 94 10.130 8.662 7.112 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.324 6.269 5.659 1.00 1.39 H new ATOM 0 HB3 LYS A 94 8.882 7.680 4.718 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.231 8.571 4.985 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.664 7.126 5.878 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.242 5.697 3.949 1.00 2.18 H new ATOM 0 HD3 LYS A 94 10.464 6.998 3.071 1.00 2.18 H new ATOM 0 HE2 LYS A 94 12.934 6.496 2.448 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.526 8.176 2.736 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 14.566 7.377 3.911 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.399 8.056 4.942 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.581 6.370 4.860 1.00 2.96 H new ATOM 628 N GLY A 95 7.319 9.357 7.642 1.00 1.12 N ATOM 629 CA GLY A 95 6.176 10.324 7.527 1.00 1.51 C ATOM 630 C GLY A 95 4.891 9.673 8.042 1.00 1.10 C ATOM 631 O GLY A 95 4.272 10.162 8.966 1.00 1.71 O ATOM 0 H GLY A 95 7.432 8.935 8.564 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.392 11.226 8.100 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.049 10.629 6.488 1.00 1.51 H new ATOM 635 N GLY A 96 4.484 8.572 7.453 1.00 1.17 N ATOM 636 CA GLY A 96 3.233 7.879 7.906 1.00 0.99 C ATOM 637 C GLY A 96 2.295 7.659 6.709 1.00 0.81 C ATOM 638 O GLY A 96 1.510 8.520 6.363 1.00 0.83 O ATOM 0 H GLY A 96 4.966 8.122 6.675 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.482 6.922 8.364 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.731 8.476 8.667 1.00 0.99 H new ATOM 642 N LEU A 97 2.359 6.511 6.082 1.00 0.67 N ATOM 643 CA LEU A 97 1.463 6.237 4.921 1.00 0.55 C ATOM 644 C LEU A 97 0.087 5.830 5.462 1.00 0.46 C ATOM 645 O LEU A 97 -0.908 5.862 4.765 1.00 0.49 O ATOM 646 CB LEU A 97 2.079 5.094 4.088 1.00 0.54 C ATOM 647 CG LEU A 97 1.081 4.536 3.059 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.707 5.623 2.054 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.730 3.369 2.311 1.00 0.66 C ATOM 0 H LEU A 97 2.995 5.752 6.326 1.00 0.67 H new ATOM 0 HA LEU A 97 1.353 7.118 4.288 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.968 5.458 3.572 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.402 4.293 4.753 1.00 0.54 H new ATOM 0 HG LEU A 97 0.184 4.198 3.577 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.000 5.220 1.329 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.250 6.462 2.579 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.604 5.964 1.536 1.00 0.65 H new ATOM 0 HD21 LEU A 97 1.027 2.969 1.580 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.626 3.719 1.799 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.999 2.587 3.021 1.00 0.66 H new ATOM 661 N GLU A 98 0.038 5.440 6.703 1.00 0.44 N ATOM 662 CA GLU A 98 -1.250 5.012 7.323 1.00 0.40 C ATOM 663 C GLU A 98 -2.338 6.068 7.129 1.00 0.40 C ATOM 664 O GLU A 98 -2.078 7.250 7.021 1.00 0.58 O ATOM 665 CB GLU A 98 -1.034 4.802 8.825 1.00 0.49 C ATOM 666 CG GLU A 98 -2.332 4.305 9.483 1.00 0.48 C ATOM 667 CD GLU A 98 -3.258 5.489 9.780 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.772 6.481 10.298 1.00 1.94 O ATOM 669 OE2 GLU A 98 -4.436 5.384 9.480 1.00 2.03 O ATOM 0 H GLU A 98 0.846 5.398 7.325 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.571 4.088 6.842 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.235 4.079 8.987 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.717 5.736 9.289 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.835 3.596 8.825 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.101 3.774 10.406 1.00 0.48 H new ATOM 676 N GLY A 99 -3.563 5.627 7.135 1.00 0.39 N ATOM 677 CA GLY A 99 -4.724 6.551 7.009 1.00 0.42 C ATOM 678 C GLY A 99 -4.666 7.379 5.719 1.00 0.42 C ATOM 679 O GLY A 99 -5.528 8.200 5.474 1.00 0.46 O ATOM 0 H GLY A 99 -3.814 4.642 7.224 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.649 5.975 7.028 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.748 7.221 7.868 1.00 0.42 H new ATOM 683 N LEU A 100 -3.681 7.187 4.887 1.00 0.41 N ATOM 684 CA LEU A 100 -3.632 7.993 3.628 1.00 0.43 C ATOM 685 C LEU A 100 -4.678 7.448 2.649 1.00 0.42 C ATOM 686 O LEU A 100 -4.595 6.320 2.206 1.00 0.44 O ATOM 687 CB LEU A 100 -2.234 7.904 3.001 1.00 0.45 C ATOM 688 CG LEU A 100 -2.006 9.085 2.040 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.884 10.414 2.820 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.721 8.832 1.240 1.00 1.17 C ATOM 0 H LEU A 100 -2.919 6.521 5.017 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.847 9.038 3.853 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.475 7.911 3.784 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.128 6.962 2.463 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.859 9.165 1.366 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.723 11.234 2.120 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.801 10.591 3.382 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.042 10.355 3.509 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.549 9.663 0.555 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.123 8.745 1.925 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.823 7.908 0.671 1.00 1.17 H new ATOM 702 N ILE A 101 -5.672 8.231 2.325 1.00 0.44 N ATOM 703 CA ILE A 101 -6.728 7.740 1.396 1.00 0.45 C ATOM 704 C ILE A 101 -6.140 7.430 0.011 1.00 0.46 C ATOM 705 O ILE A 101 -5.820 8.311 -0.762 1.00 0.49 O ATOM 706 CB ILE A 101 -7.877 8.772 1.319 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.815 8.595 2.539 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.679 8.605 0.023 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.811 7.428 2.324 1.00 0.52 C ATOM 0 H ILE A 101 -5.797 9.185 2.662 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.137 6.806 1.781 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.444 9.772 1.328 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.220 8.407 3.433 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.367 9.519 2.712 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.481 9.343 -0.006 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.021 8.750 -0.834 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.106 7.603 -0.014 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.454 7.332 3.199 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.423 7.629 1.445 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.258 6.500 2.177 1.00 0.52 H new ATOM 721 N HIS A 102 -6.022 6.162 -0.299 1.00 0.47 N ATOM 722 CA HIS A 102 -5.485 5.738 -1.624 1.00 0.51 C ATOM 723 C HIS A 102 -6.474 6.155 -2.723 1.00 0.58 C ATOM 724 O HIS A 102 -7.505 5.528 -2.914 1.00 0.64 O ATOM 725 CB HIS A 102 -5.296 4.204 -1.619 1.00 0.57 C ATOM 726 CG HIS A 102 -5.343 3.646 -3.021 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.444 2.952 -3.499 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.441 3.675 -4.055 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.180 2.597 -4.769 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.972 3.013 -5.158 1.00 0.70 N ATOM 0 H HIS A 102 -6.280 5.394 0.321 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.524 6.214 -1.816 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.341 3.954 -1.156 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.075 3.740 -1.013 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.299 2.748 -2.981 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.467 4.141 -4.018 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.862 2.043 -5.398 1.00 1.36 H new ATOM 738 N SER A 103 -6.159 7.199 -3.446 1.00 0.60 N ATOM 739 CA SER A 103 -7.062 7.660 -4.539 1.00 0.69 C ATOM 740 C SER A 103 -7.100 6.603 -5.643 1.00 0.76 C ATOM 741 O SER A 103 -8.052 5.860 -5.778 1.00 0.85 O ATOM 742 CB SER A 103 -6.532 8.973 -5.117 1.00 0.74 C ATOM 743 OG SER A 103 -6.492 9.956 -4.091 1.00 1.49 O ATOM 0 H SER A 103 -5.311 7.753 -3.325 1.00 0.60 H new ATOM 0 HA SER A 103 -8.065 7.814 -4.142 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.536 8.824 -5.533 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.172 9.309 -5.933 1.00 0.74 H new ATOM 0 HG SER A 103 -6.151 10.798 -4.458 1.00 1.49 H new ATOM 749 N GLN A 104 -6.064 6.532 -6.433 1.00 0.81 N ATOM 750 CA GLN A 104 -6.022 5.527 -7.531 1.00 0.92 C ATOM 751 C GLN A 104 -4.619 5.514 -8.140 1.00 0.93 C ATOM 752 O GLN A 104 -4.069 4.472 -8.438 1.00 1.37 O ATOM 753 CB GLN A 104 -7.044 5.901 -8.608 1.00 1.06 C ATOM 754 CG GLN A 104 -7.065 4.817 -9.688 1.00 1.76 C ATOM 755 CD GLN A 104 -8.127 5.157 -10.736 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.093 4.437 -10.893 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.989 6.230 -11.465 1.00 2.70 N ATOM 0 H GLN A 104 -5.241 7.130 -6.364 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.262 4.540 -7.136 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.034 6.007 -8.164 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.788 6.864 -9.049 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.085 4.741 -10.160 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.279 3.847 -9.240 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.178 6.835 -11.334 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -8.692 6.464 -12.166 1.00 2.70 H new ATOM 766 N ARG A 105 -4.035 6.668 -8.323 1.00 0.83 N ATOM 767 CA ARG A 105 -2.664 6.735 -8.909 1.00 0.87 C ATOM 768 C ARG A 105 -1.624 6.620 -7.791 1.00 0.74 C ATOM 769 O ARG A 105 -0.501 6.216 -8.016 1.00 0.70 O ATOM 770 CB ARG A 105 -2.489 8.070 -9.635 1.00 1.06 C ATOM 771 CG ARG A 105 -3.529 8.180 -10.752 1.00 1.71 C ATOM 772 CD ARG A 105 -3.537 9.606 -11.305 1.00 1.99 C ATOM 773 NE ARG A 105 -2.139 10.043 -11.574 1.00 2.86 N ATOM 774 CZ ARG A 105 -1.916 11.084 -12.327 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.918 11.744 -12.839 1.00 3.73 N ATOM 776 NH2 ARG A 105 -0.692 11.466 -12.568 1.00 4.61 N ATOM 0 H ARG A 105 -4.450 7.571 -8.091 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.528 5.915 -9.615 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.604 8.896 -8.933 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.484 8.142 -10.050 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.299 7.472 -11.548 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.517 7.921 -10.370 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -4.125 9.648 -12.222 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -4.009 10.281 -10.592 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.357 9.528 -11.170 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.875 11.446 -12.650 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.745 12.558 -13.428 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.091 10.950 -12.167 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -0.519 12.280 -13.157 1.00 4.61 H new ATOM 790 N ARG A 106 -1.989 6.974 -6.588 1.00 0.71 N ATOM 791 CA ARG A 106 -1.020 6.885 -5.459 1.00 0.65 C ATOM 792 C ARG A 106 -0.477 5.454 -5.371 1.00 0.54 C ATOM 793 O ARG A 106 0.607 5.223 -4.874 1.00 0.50 O ATOM 794 CB ARG A 106 -1.730 7.264 -4.142 1.00 0.70 C ATOM 795 CG ARG A 106 -1.604 8.772 -3.887 1.00 1.01 C ATOM 796 CD ARG A 106 -2.205 9.548 -5.061 1.00 1.24 C ATOM 797 NE ARG A 106 -2.297 10.992 -4.704 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.500 11.884 -5.635 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.617 11.512 -6.880 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.585 13.148 -5.321 1.00 3.29 N ATOM 0 H ARG A 106 -2.915 7.321 -6.339 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.192 7.573 -5.627 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.782 6.983 -4.194 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.292 6.710 -3.312 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.117 9.038 -2.963 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.556 9.042 -3.759 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.587 9.420 -5.950 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.194 9.158 -5.301 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.201 11.283 -3.731 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -2.550 10.524 -7.126 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.776 12.209 -7.608 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.493 13.439 -4.348 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -2.744 13.845 -6.049 1.00 3.29 H new ATOM 814 N GLN A 107 -1.219 4.494 -5.848 1.00 0.55 N ATOM 815 CA GLN A 107 -0.735 3.087 -5.788 1.00 0.52 C ATOM 816 C GLN A 107 0.537 2.959 -6.631 1.00 0.49 C ATOM 817 O GLN A 107 1.540 2.436 -6.189 1.00 0.44 O ATOM 818 CB GLN A 107 -1.823 2.150 -6.336 1.00 0.63 C ATOM 819 CG GLN A 107 -1.619 0.733 -5.790 1.00 1.11 C ATOM 820 CD GLN A 107 -0.246 0.212 -6.216 1.00 1.53 C ATOM 821 OE1 GLN A 107 0.757 0.294 -5.384 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -0.083 -0.277 -7.316 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.136 4.622 -6.275 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.515 2.813 -4.756 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.809 2.519 -6.053 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.788 2.137 -7.425 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -1.696 0.737 -4.703 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -2.402 0.072 -6.163 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -0.866 -0.341 -7.967 1.00 2.12 H new ATOM 0 HE22 GLN A 107 0.837 -0.623 -7.589 1.00 2.12 H new ATOM 831 N ASP A 108 0.501 3.438 -7.844 1.00 0.56 N ATOM 832 CA ASP A 108 1.704 3.349 -8.717 1.00 0.59 C ATOM 833 C ASP A 108 2.880 4.065 -8.047 1.00 0.54 C ATOM 834 O ASP A 108 3.980 3.551 -7.993 1.00 0.54 O ATOM 835 CB ASP A 108 1.404 4.008 -10.065 1.00 0.72 C ATOM 836 CG ASP A 108 0.185 3.337 -10.702 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.366 2.321 -11.353 1.00 1.33 O ATOM 838 OD2 ASP A 108 -0.908 3.850 -10.528 1.00 1.42 O ATOM 0 H ASP A 108 -0.310 3.887 -8.268 1.00 0.56 H new ATOM 0 HA ASP A 108 1.962 2.302 -8.873 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.216 5.073 -9.927 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.267 3.920 -10.725 1.00 0.72 H new ATOM 843 N ILE A 109 2.661 5.247 -7.536 1.00 0.55 N ATOM 844 CA ILE A 109 3.773 5.987 -6.873 1.00 0.54 C ATOM 845 C ILE A 109 4.446 5.076 -5.844 1.00 0.47 C ATOM 846 O ILE A 109 5.656 5.041 -5.731 1.00 0.53 O ATOM 847 CB ILE A 109 3.222 7.237 -6.176 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.549 8.138 -7.221 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.371 7.998 -5.503 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.934 9.371 -6.545 1.00 1.47 C ATOM 0 H ILE A 109 1.763 5.731 -7.549 1.00 0.55 H new ATOM 0 HA ILE A 109 4.504 6.291 -7.623 1.00 0.54 H new ATOM 0 HB ILE A 109 2.494 6.946 -5.419 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.280 8.450 -7.967 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.775 7.580 -7.748 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.978 8.886 -5.008 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.851 7.354 -4.766 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.101 8.295 -6.256 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.460 10.001 -7.298 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.188 9.053 -5.817 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.716 9.937 -6.039 1.00 1.47 H new ATOM 862 N LEU A 110 3.676 4.338 -5.093 1.00 0.43 N ATOM 863 CA LEU A 110 4.279 3.432 -4.075 1.00 0.39 C ATOM 864 C LEU A 110 5.177 2.410 -4.779 1.00 0.38 C ATOM 865 O LEU A 110 6.378 2.395 -4.596 1.00 0.38 O ATOM 866 CB LEU A 110 3.162 2.709 -3.310 1.00 0.42 C ATOM 867 CG LEU A 110 3.749 1.617 -2.404 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.864 2.202 -1.527 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.638 1.059 -1.509 1.00 0.66 C ATOM 0 H LEU A 110 2.657 4.323 -5.140 1.00 0.43 H new ATOM 0 HA LEU A 110 4.876 4.012 -3.371 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.602 3.426 -2.709 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.459 2.266 -4.015 1.00 0.42 H new ATOM 0 HG LEU A 110 4.165 0.821 -3.022 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.273 1.419 -0.888 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.654 2.602 -2.162 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.458 3.001 -0.907 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.047 0.283 -0.862 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.226 1.861 -0.897 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.849 0.635 -2.130 1.00 0.66 H new ATOM 881 N ASP A 111 4.603 1.558 -5.583 1.00 0.40 N ATOM 882 CA ASP A 111 5.422 0.538 -6.300 1.00 0.42 C ATOM 883 C ASP A 111 6.555 1.231 -7.061 1.00 0.43 C ATOM 884 O ASP A 111 7.690 0.800 -7.030 1.00 0.42 O ATOM 885 CB ASP A 111 4.537 -0.221 -7.292 1.00 0.50 C ATOM 886 CG ASP A 111 3.558 -1.111 -6.525 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.809 -1.367 -5.359 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.572 -1.520 -7.116 1.00 1.30 O ATOM 0 H ASP A 111 3.602 1.523 -5.775 1.00 0.40 H new ATOM 0 HA ASP A 111 5.843 -0.160 -5.576 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.990 0.482 -7.920 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.153 -0.828 -7.955 1.00 0.50 H new ATOM 893 N LEU A 112 6.254 2.299 -7.748 1.00 0.48 N ATOM 894 CA LEU A 112 7.311 3.016 -8.516 1.00 0.52 C ATOM 895 C LEU A 112 8.356 3.574 -7.549 1.00 0.48 C ATOM 896 O LEU A 112 9.542 3.387 -7.730 1.00 0.47 O ATOM 897 CB LEU A 112 6.672 4.167 -9.305 1.00 0.60 C ATOM 898 CG LEU A 112 7.694 4.778 -10.287 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.739 3.962 -11.586 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.289 6.219 -10.620 1.00 1.26 C ATOM 0 H LEU A 112 5.321 2.706 -7.811 1.00 0.48 H new ATOM 0 HA LEU A 112 7.793 2.325 -9.207 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.804 3.802 -9.854 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.315 4.934 -8.617 1.00 0.60 H new ATOM 0 HG LEU A 112 8.678 4.765 -9.818 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.464 4.405 -12.269 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.031 2.936 -11.361 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.753 3.965 -12.052 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.012 6.649 -11.313 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.300 6.222 -11.078 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.267 6.811 -9.705 1.00 1.26 H new ATOM 912 N TRP A 113 7.930 4.255 -6.522 1.00 0.48 N ATOM 913 CA TRP A 113 8.910 4.815 -5.550 1.00 0.48 C ATOM 914 C TRP A 113 9.861 3.703 -5.107 1.00 0.43 C ATOM 915 O TRP A 113 11.062 3.879 -5.070 1.00 0.45 O ATOM 916 CB TRP A 113 8.161 5.372 -4.336 1.00 0.52 C ATOM 917 CG TRP A 113 9.139 5.933 -3.355 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.718 7.153 -3.444 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.659 5.322 -2.139 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.561 7.328 -2.361 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.559 6.227 -1.529 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.440 4.081 -1.514 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.218 5.912 -0.339 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.101 3.761 -0.317 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.988 4.675 0.269 1.00 0.67 C ATOM 0 H TRP A 113 6.950 4.447 -6.314 1.00 0.48 H new ATOM 0 HA TRP A 113 9.480 5.618 -6.017 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.463 6.147 -4.652 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.572 4.584 -3.867 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.550 7.872 -4.232 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.116 8.168 -2.198 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.759 3.370 -1.958 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.901 6.619 0.108 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.925 2.806 0.155 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.493 4.423 1.190 1.00 0.67 H new ATOM 936 N ILE A 114 9.334 2.554 -4.785 1.00 0.39 N ATOM 937 CA ILE A 114 10.211 1.429 -4.362 1.00 0.37 C ATOM 938 C ILE A 114 11.213 1.132 -5.481 1.00 0.39 C ATOM 939 O ILE A 114 12.316 0.683 -5.241 1.00 0.44 O ATOM 940 CB ILE A 114 9.357 0.182 -4.100 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.336 0.459 -2.972 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.267 -0.994 -3.725 1.00 0.42 C ATOM 943 CD1 ILE A 114 8.973 0.288 -1.583 1.00 1.00 C ATOM 0 H ILE A 114 8.335 2.347 -4.797 1.00 0.39 H new ATOM 0 HA ILE A 114 10.742 1.700 -3.450 1.00 0.37 H new ATOM 0 HB ILE A 114 8.805 -0.072 -5.005 1.00 0.37 H new ATOM 0 HG12 ILE A 114 7.946 1.472 -3.073 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.489 -0.220 -3.071 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.659 -1.879 -3.539 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.959 -1.194 -4.543 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.831 -0.746 -2.826 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.228 0.490 -0.814 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.339 -0.733 -1.474 1.00 1.00 H new ATOM 0 HD13 ILE A 114 9.804 0.985 -1.475 1.00 1.00 H new ATOM 955 N TYR A 115 10.827 1.369 -6.707 1.00 0.40 N ATOM 956 CA TYR A 115 11.740 1.092 -7.853 1.00 0.46 C ATOM 957 C TYR A 115 12.973 2.012 -7.799 1.00 0.51 C ATOM 958 O TYR A 115 14.080 1.567 -7.572 1.00 0.54 O ATOM 959 CB TYR A 115 10.971 1.320 -9.167 1.00 0.53 C ATOM 960 CG TYR A 115 11.560 0.470 -10.275 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.453 -0.924 -10.213 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.204 1.075 -11.363 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.989 -1.714 -11.237 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.741 0.284 -12.386 1.00 0.82 C ATOM 965 CZ TYR A 115 12.633 -1.110 -12.323 1.00 0.77 C ATOM 966 OH TYR A 115 13.161 -1.890 -13.332 1.00 0.87 O ATOM 0 H TYR A 115 9.914 1.744 -6.964 1.00 0.40 H new ATOM 0 HA TYR A 115 12.085 0.059 -7.798 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.919 1.071 -9.029 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.016 2.373 -9.444 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.957 -1.391 -9.375 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.286 2.151 -11.412 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.906 -2.790 -11.189 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.239 0.750 -13.224 1.00 0.82 H new ATOM 0 HH TYR A 115 13.572 -1.314 -14.010 1.00 0.87 H new ATOM 976 N HIS A 116 12.788 3.285 -8.031 1.00 0.58 N ATOM 977 CA HIS A 116 13.945 4.235 -8.022 1.00 0.67 C ATOM 978 C HIS A 116 14.604 4.291 -6.637 1.00 0.67 C ATOM 979 O HIS A 116 15.414 5.155 -6.377 1.00 0.81 O ATOM 980 CB HIS A 116 13.448 5.632 -8.399 1.00 0.79 C ATOM 981 CG HIS A 116 12.643 5.556 -9.668 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.194 5.137 -10.869 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.328 5.844 -9.939 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.222 5.184 -11.799 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.065 5.608 -11.285 1.00 2.74 N ATOM 0 H HIS A 116 11.882 3.711 -8.227 1.00 0.58 H new ATOM 0 HA HIS A 116 14.685 3.886 -8.742 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.838 6.042 -7.594 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.294 6.306 -8.533 1.00 0.79 H new ATOM 0 HD2 HIS A 116 10.607 6.200 -9.217 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.361 4.912 -12.835 1.00 2.71 H new ATOM 0 HE2 HIS A 116 10.179 5.732 -11.774 1.00 2.74 H new ATOM 993 N THR A 117 14.272 3.390 -5.742 1.00 0.63 N ATOM 994 CA THR A 117 14.898 3.410 -4.374 1.00 0.68 C ATOM 995 C THR A 117 15.514 2.044 -4.064 1.00 0.66 C ATOM 996 O THR A 117 16.700 1.840 -4.223 1.00 0.73 O ATOM 997 CB THR A 117 13.833 3.740 -3.328 1.00 0.80 C ATOM 998 OG1 THR A 117 12.669 2.975 -3.590 1.00 0.85 O ATOM 999 CG2 THR A 117 13.495 5.230 -3.394 1.00 0.91 C ATOM 0 H THR A 117 13.596 2.642 -5.896 1.00 0.63 H new ATOM 0 HA THR A 117 15.679 4.169 -4.349 1.00 0.68 H new ATOM 0 HB THR A 117 14.210 3.502 -2.333 1.00 0.80 H new ATOM 0 HG1 THR A 117 11.997 3.540 -4.025 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.736 5.464 -2.648 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.392 5.816 -3.195 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.116 5.473 -4.386 1.00 0.91 H new ATOM 1007 N GLN A 118 14.720 1.109 -3.612 1.00 0.73 N ATOM 1008 CA GLN A 118 15.266 -0.240 -3.282 1.00 0.83 C ATOM 1009 C GLN A 118 15.360 -1.084 -4.555 1.00 0.72 C ATOM 1010 O GLN A 118 16.049 -2.083 -4.600 1.00 0.91 O ATOM 1011 CB GLN A 118 14.334 -0.927 -2.285 1.00 1.06 C ATOM 1012 CG GLN A 118 14.052 0.015 -1.113 1.00 1.48 C ATOM 1013 CD GLN A 118 13.254 -0.728 -0.039 1.00 2.12 C ATOM 1014 OE1 GLN A 118 12.300 -1.543 -0.399 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.502 -0.566 1.139 1.00 2.13 N flip ATOM 0 H GLN A 118 13.718 1.221 -3.457 1.00 0.73 H new ATOM 0 HA GLN A 118 16.260 -0.134 -2.847 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.401 -1.203 -2.775 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.789 -1.849 -1.922 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.989 0.383 -0.695 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.494 0.885 -1.459 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.247 0.071 1.420 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.965 -1.067 1.847 1.00 2.13 H new ATOM 1024 N GLY A 119 14.685 -0.679 -5.594 1.00 0.86 N ATOM 1025 CA GLY A 119 14.745 -1.445 -6.871 1.00 0.85 C ATOM 1026 C GLY A 119 13.989 -2.772 -6.748 1.00 0.65 C ATOM 1027 O GLY A 119 14.075 -3.617 -7.617 1.00 0.67 O ATOM 0 H GLY A 119 14.093 0.151 -5.614 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.315 -0.850 -7.677 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.785 -1.637 -7.136 1.00 0.85 H new ATOM 1031 N TYR A 120 13.242 -2.974 -5.695 1.00 0.54 N ATOM 1032 CA TYR A 120 12.493 -4.258 -5.573 1.00 0.44 C ATOM 1033 C TYR A 120 11.344 -4.251 -6.581 1.00 0.49 C ATOM 1034 O TYR A 120 10.584 -3.307 -6.664 1.00 0.70 O ATOM 1035 CB TYR A 120 11.908 -4.404 -4.156 1.00 0.48 C ATOM 1036 CG TYR A 120 12.933 -4.995 -3.206 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.441 -6.282 -3.429 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.360 -4.261 -2.093 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.376 -6.829 -2.540 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.292 -4.808 -1.205 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.801 -6.091 -1.429 1.00 0.75 C ATOM 1042 OH TYR A 120 15.718 -6.630 -0.551 1.00 0.91 O ATOM 0 H TYR A 120 13.119 -2.316 -4.925 1.00 0.54 H new ATOM 0 HA TYR A 120 13.172 -5.089 -5.766 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.585 -3.430 -3.789 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.024 -5.042 -4.187 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.112 -6.852 -4.285 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.969 -3.269 -1.920 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.769 -7.820 -2.712 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.618 -4.240 -0.347 1.00 0.71 H new ATOM 0 HH TYR A 120 15.905 -5.986 0.163 1.00 0.91 H new ATOM 1052 N PHE A 121 11.199 -5.301 -7.333 1.00 0.48 N ATOM 1053 CA PHE A 121 10.083 -5.355 -8.315 1.00 0.57 C ATOM 1054 C PHE A 121 8.782 -5.586 -7.528 1.00 0.55 C ATOM 1055 O PHE A 121 8.800 -6.200 -6.482 1.00 0.59 O ATOM 1056 CB PHE A 121 10.324 -6.501 -9.322 1.00 0.68 C ATOM 1057 CG PHE A 121 11.206 -7.558 -8.691 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.709 -8.348 -7.651 1.00 2.32 C ATOM 1059 CD2 PHE A 121 12.520 -7.742 -9.143 1.00 2.33 C ATOM 1060 CE1 PHE A 121 11.521 -9.324 -7.060 1.00 3.44 C ATOM 1061 CE2 PHE A 121 13.333 -8.718 -8.553 1.00 3.43 C ATOM 1062 CZ PHE A 121 12.833 -9.508 -7.511 1.00 3.85 C ATOM 0 H PHE A 121 11.802 -6.123 -7.312 1.00 0.48 H new ATOM 0 HA PHE A 121 10.017 -4.425 -8.880 1.00 0.57 H new ATOM 0 HB2 PHE A 121 9.373 -6.940 -9.623 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.795 -6.112 -10.225 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.697 -8.206 -7.302 1.00 2.32 H new ATOM 0 HD2 PHE A 121 12.905 -7.131 -9.946 1.00 2.33 H new ATOM 0 HE1 PHE A 121 11.135 -9.934 -6.257 1.00 3.44 H new ATOM 0 HE2 PHE A 121 14.345 -8.861 -8.902 1.00 3.43 H new ATOM 0 HZ PHE A 121 13.460 -10.260 -7.055 1.00 3.85 H new ATOM 1072 N PRO A 122 7.666 -5.089 -8.001 1.00 0.64 N ATOM 1073 CA PRO A 122 6.361 -5.248 -7.289 1.00 0.67 C ATOM 1074 C PRO A 122 5.770 -6.659 -7.423 1.00 0.73 C ATOM 1075 O PRO A 122 4.576 -6.828 -7.577 1.00 1.19 O ATOM 1076 CB PRO A 122 5.466 -4.209 -7.973 1.00 0.80 C ATOM 1077 CG PRO A 122 5.992 -4.131 -9.369 1.00 1.05 C ATOM 1078 CD PRO A 122 7.507 -4.323 -9.253 1.00 0.87 C ATOM 0 HA PRO A 122 6.463 -5.105 -6.213 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.420 -4.514 -7.959 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.523 -3.243 -7.472 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.547 -4.901 -9.999 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.753 -3.170 -9.824 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.909 -4.866 -10.109 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.030 -3.368 -9.207 1.00 0.87 H new ATOM 1086 N ASP A 123 6.585 -7.676 -7.347 1.00 0.56 N ATOM 1087 CA ASP A 123 6.046 -9.064 -7.449 1.00 0.64 C ATOM 1088 C ASP A 123 5.571 -9.503 -6.061 1.00 0.58 C ATOM 1089 O ASP A 123 5.323 -10.667 -5.818 1.00 0.65 O ATOM 1090 CB ASP A 123 7.142 -10.015 -7.955 1.00 0.74 C ATOM 1091 CG ASP A 123 8.180 -10.262 -6.855 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.250 -9.456 -5.942 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.884 -11.254 -6.946 1.00 1.27 O ATOM 0 H ASP A 123 7.595 -7.608 -7.219 1.00 0.56 H new ATOM 0 HA ASP A 123 5.214 -9.091 -8.152 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.698 -10.961 -8.265 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.627 -9.588 -8.833 1.00 0.74 H new ATOM 1098 N TRP A 124 5.459 -8.567 -5.147 1.00 0.53 N ATOM 1099 CA TRP A 124 5.015 -8.895 -3.754 1.00 0.52 C ATOM 1100 C TRP A 124 3.759 -8.106 -3.415 1.00 0.51 C ATOM 1101 O TRP A 124 2.940 -8.517 -2.617 1.00 0.55 O ATOM 1102 CB TRP A 124 6.123 -8.502 -2.777 1.00 0.49 C ATOM 1103 CG TRP A 124 6.402 -7.040 -2.928 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.278 -6.503 -3.808 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.811 -5.921 -2.205 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.266 -5.127 -3.669 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.377 -4.720 -2.694 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.850 -5.832 -1.183 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.003 -3.476 -2.188 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.470 -4.580 -0.671 1.00 0.58 C ATOM 1111 CH2 TRP A 124 5.046 -3.405 -1.173 1.00 0.55 C ATOM 0 H TRP A 124 5.658 -7.580 -5.309 1.00 0.53 H new ATOM 0 HA TRP A 124 4.805 -9.962 -3.681 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.821 -8.725 -1.754 1.00 0.49 H new ATOM 0 HB3 TRP A 124 7.025 -9.081 -2.976 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.887 -7.058 -4.506 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.843 -4.491 -4.219 1.00 0.42 H new ATOM 0 HE3 TRP A 124 4.401 -6.732 -0.789 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.450 -2.574 -2.578 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.730 -4.523 0.114 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.750 -2.445 -0.775 1.00 0.55 H new ATOM 1122 N GLN A 125 3.614 -6.974 -4.015 1.00 0.53 N ATOM 1123 CA GLN A 125 2.420 -6.122 -3.745 1.00 0.60 C ATOM 1124 C GLN A 125 1.200 -6.705 -4.462 1.00 0.66 C ATOM 1125 O GLN A 125 1.140 -6.739 -5.675 1.00 0.84 O ATOM 1126 CB GLN A 125 2.683 -4.699 -4.249 1.00 0.69 C ATOM 1127 CG GLN A 125 1.587 -3.755 -3.735 1.00 1.56 C ATOM 1128 CD GLN A 125 1.869 -3.379 -2.277 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.642 -4.165 -1.379 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.359 -2.200 -2.005 1.00 2.82 N ATOM 0 H GLN A 125 4.274 -6.589 -4.691 1.00 0.53 H new ATOM 0 HA GLN A 125 2.228 -6.096 -2.672 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.660 -4.357 -3.907 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.704 -4.687 -5.339 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.549 -2.857 -4.351 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.612 -4.237 -3.814 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.549 -1.540 -2.759 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.551 -1.938 -1.038 1.00 2.82 H new ATOM 1139 N ASN A 126 0.226 -7.165 -3.721 1.00 0.64 N ATOM 1140 CA ASN A 126 -0.990 -7.748 -4.360 1.00 0.72 C ATOM 1141 C ASN A 126 -2.167 -7.681 -3.380 1.00 0.69 C ATOM 1142 O ASN A 126 -2.014 -7.296 -2.237 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.716 -9.206 -4.735 1.00 0.84 C ATOM 1144 CG ASN A 126 0.453 -9.267 -5.719 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.303 -8.938 -6.879 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.621 -9.677 -5.304 1.00 0.88 N ATOM 0 H ASN A 126 0.220 -7.162 -2.701 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.237 -7.182 -5.258 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.484 -9.785 -3.841 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.605 -9.651 -5.182 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.406 -9.721 -5.953 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.748 -9.953 -4.330 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.340 -8.059 -3.818 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.530 -8.012 -2.916 1.00 0.61 C ATOM 1155 C TYR A 127 -5.634 -8.907 -3.483 1.00 0.63 C ATOM 1156 O TYR A 127 -5.650 -9.227 -4.655 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.075 -6.576 -2.832 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.956 -5.600 -2.561 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.244 -5.037 -3.627 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.632 -5.255 -1.244 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.208 -4.130 -3.375 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.596 -4.348 -0.992 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.884 -3.786 -2.057 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.862 -2.892 -1.808 1.00 1.48 O ATOM 0 H TYR A 127 -3.526 -8.398 -4.762 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.229 -8.354 -1.926 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.575 -6.315 -3.765 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.822 -6.510 -2.041 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.494 -5.302 -4.644 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.182 -5.689 -0.422 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.659 -3.696 -4.197 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.346 -4.082 0.025 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.416 -3.130 -0.969 1.00 1.48 H new ATOM 1174 N THR A 128 -6.556 -9.313 -2.654 1.00 0.62 N ATOM 1175 CA THR A 128 -7.663 -10.188 -3.133 1.00 0.68 C ATOM 1176 C THR A 128 -8.502 -9.421 -4.167 1.00 0.75 C ATOM 1177 O THR A 128 -8.611 -8.213 -4.098 1.00 0.97 O ATOM 1178 CB THR A 128 -8.543 -10.573 -1.939 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.104 -9.397 -1.372 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.694 -11.292 -0.890 1.00 0.90 C ATOM 0 H THR A 128 -6.590 -9.076 -1.663 1.00 0.62 H new ATOM 0 HA THR A 128 -7.256 -11.088 -3.594 1.00 0.68 H new ATOM 0 HB THR A 128 -9.342 -11.235 -2.272 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.669 -9.639 -0.609 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.320 -11.566 -0.041 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.261 -12.192 -1.327 1.00 0.90 H new ATOM 0 HG23 THR A 128 -6.895 -10.631 -0.554 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.168 -4.817 0.827 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.075 -5.439 0.027 1.00 0.49 C ATOM 1251 C ARG A 134 -7.950 -5.880 0.976 1.00 0.40 C ATOM 1252 O ARG A 134 -7.163 -5.078 1.442 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.552 -4.406 -1.004 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.532 -5.014 -2.413 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.734 -4.108 -3.351 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.906 -4.575 -4.755 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.571 -3.796 -5.746 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.078 -2.611 -5.507 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.728 -4.202 -6.977 1.00 3.36 N ATOM 0 HA ARG A 134 -9.444 -6.313 -0.510 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.186 -3.520 -0.993 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.549 -4.083 -0.727 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.086 -6.008 -2.385 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.550 -5.132 -2.784 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.074 -3.077 -3.255 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.679 -4.122 -3.078 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.285 -5.503 -4.941 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.955 -2.294 -4.545 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.816 -2.002 -6.282 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.113 -5.128 -7.163 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -7.466 -3.593 -7.752 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.879 -7.153 1.264 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.818 -7.664 2.181 1.00 0.39 C ATOM 1275 C TYR A 135 -5.535 -7.929 1.379 1.00 0.36 C ATOM 1276 O TYR A 135 -5.593 -8.224 0.202 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.296 -8.976 2.811 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.350 -8.688 3.855 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.642 -8.324 3.460 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.037 -8.790 5.217 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.622 -8.060 4.425 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.017 -8.526 6.182 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.309 -8.160 5.786 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.275 -7.899 6.737 1.00 1.17 O ATOM 0 H TYR A 135 -8.514 -7.864 0.901 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.617 -6.928 2.959 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.703 -9.633 2.042 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.455 -9.500 3.265 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.884 -8.247 2.410 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.040 -9.072 5.523 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.619 -7.779 4.119 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.776 -8.605 7.232 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.893 -8.015 7.632 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.381 -7.841 2.004 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.080 -8.094 1.314 1.00 0.38 C ATOM 1296 C PRO A 136 -2.832 -9.593 1.111 1.00 0.37 C ATOM 1297 O PRO A 136 -2.793 -10.358 2.054 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.052 -7.494 2.278 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.667 -7.664 3.628 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.176 -7.490 3.425 1.00 0.44 C ATOM 0 HA PRO A 136 -3.041 -7.660 0.315 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.094 -8.010 2.210 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.865 -6.443 2.056 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.439 -8.647 4.041 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.279 -6.926 4.330 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.747 -8.143 4.085 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.493 -6.469 3.635 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.674 -10.019 -0.112 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.440 -11.471 -0.364 1.00 0.43 C ATOM 1310 C LEU A 137 -1.108 -11.905 0.261 1.00 0.41 C ATOM 1311 O LEU A 137 -1.040 -12.885 0.975 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.405 -11.733 -1.877 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.835 -11.734 -2.455 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.777 -11.471 -3.962 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.514 -13.093 -2.220 1.00 0.92 C ATOM 0 H LEU A 137 -2.696 -9.429 -0.944 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.250 -12.044 0.087 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.806 -10.968 -2.371 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.925 -12.691 -2.076 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.409 -10.954 -1.954 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.788 -11.472 -4.371 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.312 -10.502 -4.145 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.190 -12.252 -4.445 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.522 -13.073 -2.635 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.936 -13.878 -2.708 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.566 -13.293 -1.150 1.00 0.92 H new ATOM 1327 N THR A 138 -0.047 -11.195 -0.015 1.00 0.50 N ATOM 1328 CA THR A 138 1.279 -11.583 0.550 1.00 0.55 C ATOM 1329 C THR A 138 1.269 -11.439 2.075 1.00 0.47 C ATOM 1330 O THR A 138 0.514 -10.672 2.638 1.00 0.50 O ATOM 1331 CB THR A 138 2.375 -10.684 -0.049 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.855 -9.377 -0.244 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.840 -11.253 -1.392 1.00 1.04 C ATOM 0 H THR A 138 -0.040 -10.364 -0.606 1.00 0.50 H new ATOM 0 HA THR A 138 1.482 -12.624 0.297 1.00 0.55 H new ATOM 0 HB THR A 138 3.223 -10.645 0.635 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.313 -8.952 -0.999 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.616 -10.611 -1.810 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.240 -12.256 -1.243 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.996 -11.297 -2.080 1.00 1.04 H new ATOM 1341 N PHE A 139 2.119 -12.178 2.739 1.00 0.51 N ATOM 1342 CA PHE A 139 2.195 -12.108 4.229 1.00 0.49 C ATOM 1343 C PHE A 139 3.315 -11.146 4.635 1.00 0.65 C ATOM 1344 O PHE A 139 4.210 -10.860 3.864 1.00 1.43 O ATOM 1345 CB PHE A 139 2.499 -13.503 4.780 1.00 0.52 C ATOM 1346 CG PHE A 139 2.380 -13.494 6.286 1.00 0.50 C ATOM 1347 CD1 PHE A 139 3.491 -13.176 7.076 1.00 0.59 C ATOM 1348 CD2 PHE A 139 1.159 -13.809 6.892 1.00 0.67 C ATOM 1349 CE1 PHE A 139 3.381 -13.172 8.472 1.00 0.62 C ATOM 1350 CE2 PHE A 139 1.048 -13.806 8.288 1.00 0.77 C ATOM 1351 CZ PHE A 139 2.160 -13.487 9.079 1.00 0.66 C ATOM 0 H PHE A 139 2.771 -12.834 2.308 1.00 0.51 H new ATOM 0 HA PHE A 139 1.246 -11.752 4.631 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.807 -14.231 4.355 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.503 -13.809 4.487 1.00 0.52 H new ATOM 0 HD1 PHE A 139 4.434 -12.934 6.608 1.00 0.59 H new ATOM 0 HD2 PHE A 139 0.302 -14.055 6.283 1.00 0.67 H new ATOM 0 HE1 PHE A 139 4.239 -12.926 9.080 1.00 0.62 H new ATOM 0 HE2 PHE A 139 0.105 -14.050 8.755 1.00 0.77 H new ATOM 0 HZ PHE A 139 2.075 -13.484 10.156 1.00 0.66 H new ATOM 1361 N GLY A 140 3.272 -10.641 5.840 1.00 0.46 N ATOM 1362 CA GLY A 140 4.332 -9.693 6.300 1.00 0.43 C ATOM 1363 C GLY A 140 3.895 -8.263 5.986 1.00 0.35 C ATOM 1364 O GLY A 140 4.171 -7.340 6.726 1.00 0.32 O ATOM 0 H GLY A 140 2.547 -10.844 6.528 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.500 -9.808 7.371 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.276 -9.915 5.803 1.00 0.43 H new ATOM 1368 N TRP A 141 3.206 -8.078 4.897 1.00 0.34 N ATOM 1369 CA TRP A 141 2.738 -6.712 4.533 1.00 0.29 C ATOM 1370 C TRP A 141 1.560 -6.354 5.432 1.00 0.32 C ATOM 1371 O TRP A 141 0.430 -6.729 5.188 1.00 0.40 O ATOM 1372 CB TRP A 141 2.336 -6.707 3.053 1.00 0.33 C ATOM 1373 CG TRP A 141 2.129 -5.313 2.529 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.034 -4.928 1.834 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.000 -4.130 2.601 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.164 -3.601 1.479 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.350 -3.063 1.926 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.266 -3.867 3.174 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.927 -1.797 1.823 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.844 -2.592 3.068 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.176 -1.561 2.395 1.00 0.33 C ATOM 0 H TRP A 141 2.946 -8.815 4.241 1.00 0.34 H new ATOM 0 HA TRP A 141 3.524 -5.971 4.676 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.109 -7.204 2.466 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.419 -7.282 2.925 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.191 -5.560 1.595 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.465 -3.081 0.949 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.792 -4.652 3.697 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.409 -1.005 1.303 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.812 -2.404 3.509 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.629 -0.583 2.319 1.00 0.33 H new ATOM 1392 N CYS A 142 1.837 -5.656 6.499 1.00 0.31 N ATOM 1393 CA CYS A 142 0.772 -5.290 7.465 1.00 0.40 C ATOM 1394 C CYS A 142 -0.021 -4.080 6.965 1.00 0.39 C ATOM 1395 O CYS A 142 -0.243 -3.128 7.687 1.00 0.48 O ATOM 1396 CB CYS A 142 1.434 -4.978 8.805 1.00 0.47 C ATOM 1397 SG CYS A 142 3.044 -4.207 8.512 1.00 1.45 S ATOM 0 H CYS A 142 2.769 -5.321 6.742 1.00 0.31 H new ATOM 0 HA CYS A 142 0.071 -6.118 7.576 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.800 -4.312 9.390 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.556 -5.893 9.385 1.00 0.47 H new ATOM 0 HG CYS A 142 3.988 -5.012 8.902 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.461 -4.121 5.741 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.263 -2.989 5.175 1.00 0.40 C ATOM 1405 C TYR A 143 -2.602 -3.546 4.677 1.00 0.43 C ATOM 1406 O TYR A 143 -2.645 -4.481 3.903 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.477 -2.350 4.013 1.00 0.55 C ATOM 1408 CG TYR A 143 0.288 -1.138 4.508 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.410 0.015 4.877 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.685 -1.167 4.590 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.288 1.141 5.330 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.382 -0.040 5.040 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.684 1.113 5.410 1.00 3.52 C ATOM 1414 OH TYR A 143 2.372 2.223 5.854 1.00 4.57 O ATOM 0 H TYR A 143 -0.301 -4.896 5.097 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.449 -2.228 5.933 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.214 -3.077 3.587 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.162 -2.058 3.217 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.488 0.038 4.813 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.225 -2.058 4.306 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.252 2.031 5.618 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.460 -0.061 5.101 1.00 3.14 H new ATOM 0 HH TYR A 143 3.334 2.035 5.850 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.695 -2.980 5.131 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.047 -3.471 4.707 1.00 0.51 C ATOM 1426 C LYS A 144 -5.894 -2.293 4.223 1.00 0.43 C ATOM 1427 O LYS A 144 -6.223 -1.400 4.978 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.746 -4.125 5.902 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.804 -5.130 6.569 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.491 -5.732 7.797 1.00 1.24 C ATOM 1431 CE LYS A 144 -4.503 -6.624 8.551 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.082 -7.004 9.870 1.00 2.32 N ATOM 0 H LYS A 144 -3.709 -2.194 5.781 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.930 -4.195 3.901 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.047 -3.363 6.621 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.655 -4.628 5.572 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.537 -5.918 5.865 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.877 -4.637 6.862 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.852 -4.938 8.451 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -6.361 -6.313 7.491 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -4.285 -7.518 7.967 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -3.559 -6.099 8.694 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -4.748 -7.952 10.135 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -4.783 -6.317 10.591 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.120 -7.008 9.805 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.257 -2.286 2.969 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.090 -1.170 2.443 1.00 0.37 C ATOM 1448 C LEU A 145 -8.537 -1.363 2.907 1.00 0.38 C ATOM 1449 O LEU A 145 -9.052 -2.465 2.909 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.027 -1.166 0.910 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.607 -0.784 0.437 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.355 -1.357 -0.961 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.460 0.744 0.379 1.00 0.52 C ATOM 0 H LEU A 145 -6.012 -3.005 2.288 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.715 -0.217 2.817 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.294 -2.150 0.525 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.754 -0.459 0.510 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.885 -1.193 1.143 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.352 -1.085 -1.290 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.445 -2.443 -0.931 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.088 -0.951 -1.658 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.455 1.000 0.044 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.190 1.154 -0.319 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.630 1.164 1.370 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.194 -0.301 3.305 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.606 -0.414 3.787 1.00 0.50 C ATOM 1467 C VAL A 146 -11.304 0.952 3.607 1.00 0.59 C ATOM 1468 O VAL A 146 -10.757 1.969 3.985 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.613 -0.748 5.290 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.053 -0.954 5.767 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.817 -2.026 5.571 1.00 0.56 C ATOM 0 H VAL A 146 -8.811 0.644 3.317 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.117 -1.194 3.223 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.152 0.084 5.822 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.054 -1.190 6.831 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.626 -0.043 5.597 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.506 -1.776 5.213 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.837 -2.240 6.640 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.261 -2.859 5.026 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.785 -1.890 5.248 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.503 0.994 3.050 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.246 2.276 2.858 1.00 0.81 C ATOM 1483 C PRO A 147 -14.002 2.708 4.120 1.00 0.91 C ATOM 1484 O PRO A 147 -15.090 2.240 4.389 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.237 1.931 1.748 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.572 0.496 1.995 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.285 -0.151 2.531 1.00 0.75 C ATOM 0 HA PRO A 147 -12.579 3.106 2.625 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.125 2.562 1.795 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -13.797 2.074 0.761 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.385 0.403 2.715 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.901 0.008 1.078 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.499 -0.877 3.315 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.746 -0.680 1.745 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.337 4.218 -1.050 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.806 3.303 0.024 1.00 0.52 C ATOM 1782 C LEU A 181 -8.597 3.931 0.732 1.00 0.47 C ATOM 1783 O LEU A 181 -7.847 4.677 0.144 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.366 1.971 -0.609 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.363 1.523 -1.686 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.865 0.221 -2.320 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.742 1.289 -1.056 1.00 0.87 C ATOM 0 HA LEU A 181 -10.599 3.137 0.753 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.375 2.082 -1.049 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.289 1.205 0.162 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.446 2.298 -2.448 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.569 -0.103 -3.086 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.887 0.387 -2.772 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.784 -0.549 -1.553 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.445 0.971 -1.826 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.666 0.515 -0.292 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.096 2.214 -0.601 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.401 3.612 1.996 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.228 4.155 2.764 1.00 0.45 C ATOM 1801 C GLU A 182 -6.345 3.013 3.269 1.00 0.42 C ATOM 1802 O GLU A 182 -6.815 1.960 3.646 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.719 4.967 3.968 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.771 4.164 4.734 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.027 4.824 6.091 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.212 6.029 6.114 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.032 4.113 7.082 1.00 1.62 O ATOM 0 H GLU A 182 -9.010 2.993 2.532 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.650 4.794 2.096 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.882 5.207 4.623 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.143 5.914 3.633 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.697 4.116 4.160 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.430 3.138 4.875 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.056 3.237 3.285 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.106 2.197 3.770 1.00 0.38 C ATOM 1816 C TRP A 183 -4.195 2.116 5.300 1.00 0.37 C ATOM 1817 O TRP A 183 -3.818 3.035 5.998 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.677 2.596 3.361 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.375 2.132 1.969 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.229 0.842 1.593 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.164 2.934 0.772 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.939 0.802 0.240 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.889 2.066 -0.310 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.183 4.316 0.525 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.640 2.554 -1.593 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -1.934 4.812 -0.766 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.661 3.932 -1.822 1.00 0.41 C ATOM 0 H TRP A 183 -4.619 4.106 2.979 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.355 1.229 3.336 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.565 3.679 3.421 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.960 2.162 4.058 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.323 -0.016 2.242 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.781 -0.057 -0.286 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.390 5.002 1.333 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.432 1.871 -2.404 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -1.953 5.877 -0.945 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.467 4.319 -2.812 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.685 1.022 5.826 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.793 0.881 7.312 1.00 0.35 C ATOM 1840 C ARG A 184 -3.577 0.114 7.838 1.00 0.31 C ATOM 1841 O ARG A 184 -3.494 -1.094 7.731 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.076 0.117 7.658 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.424 0.323 9.135 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.786 -0.309 9.427 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.187 -0.010 10.830 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.428 -0.171 11.202 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.317 -0.593 10.345 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.781 0.090 12.432 1.00 2.61 N ATOM 0 H ARG A 184 -5.016 0.219 5.291 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.825 1.868 7.774 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.897 0.464 7.030 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.944 -0.945 7.451 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.658 -0.127 9.767 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.446 1.387 9.370 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.533 0.078 8.734 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.738 -1.387 9.274 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.492 0.320 11.500 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -10.042 -0.797 9.384 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.286 -0.719 10.636 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -9.087 0.420 13.103 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -10.751 -0.036 12.722 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.631 0.814 8.397 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.403 0.146 8.928 1.00 0.31 C ATOM 1864 C PHE A 185 -1.750 -0.705 10.159 1.00 0.31 C ATOM 1865 O PHE A 185 -2.483 -0.283 11.032 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.395 1.231 9.310 1.00 0.40 C ATOM 1867 CG PHE A 185 0.886 0.618 9.828 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.957 0.142 11.142 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.010 0.545 8.997 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.153 -0.408 11.623 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.204 -0.001 9.477 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.276 -0.477 10.789 1.00 0.71 C ATOM 0 H PHE A 185 -2.653 1.827 8.511 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.980 -0.511 8.168 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.180 1.855 8.442 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.826 1.881 10.071 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.091 0.198 11.785 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.955 0.911 7.983 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.209 -0.778 12.636 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.070 -0.055 8.834 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.199 -0.898 11.160 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.233 -1.907 10.227 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.530 -2.799 11.384 1.00 0.32 C ATOM 1884 C ASP A 186 -0.378 -3.807 11.551 1.00 0.30 C ATOM 1885 O ASP A 186 -0.529 -4.988 11.310 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.835 -3.535 11.074 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.498 -4.026 12.363 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.234 -3.451 13.406 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.267 -4.969 12.283 1.00 1.23 O ATOM 0 H ASP A 186 -0.613 -2.309 9.524 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.630 -2.229 12.308 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.515 -2.871 10.540 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.634 -4.381 10.417 1.00 0.37 H new ATOM 1894 N SER A 187 0.780 -3.331 11.930 1.00 0.33 N ATOM 1895 CA SER A 187 1.978 -4.222 12.087 1.00 0.34 C ATOM 1896 C SER A 187 1.635 -5.529 12.817 1.00 0.35 C ATOM 1897 O SER A 187 2.441 -6.437 12.857 1.00 0.37 O ATOM 1898 CB SER A 187 3.046 -3.481 12.893 1.00 0.40 C ATOM 1899 OG SER A 187 3.905 -4.426 13.518 1.00 1.32 O ATOM 0 H SER A 187 0.953 -2.348 12.141 1.00 0.33 H new ATOM 0 HA SER A 187 2.337 -4.474 11.089 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.622 -2.826 12.239 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.576 -2.847 13.645 1.00 0.40 H new ATOM 0 HG SER A 187 4.832 -4.250 13.254 1.00 1.32 H new ATOM 1905 N ARG A 188 0.477 -5.652 13.405 1.00 0.40 N ATOM 1906 CA ARG A 188 0.169 -6.925 14.123 1.00 0.46 C ATOM 1907 C ARG A 188 0.116 -8.076 13.115 1.00 0.42 C ATOM 1908 O ARG A 188 0.271 -9.230 13.464 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.166 -6.808 14.874 1.00 0.58 C ATOM 1910 CG ARG A 188 -2.343 -6.848 13.896 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.629 -6.490 14.644 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.536 -5.093 15.151 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.609 -4.474 15.562 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.766 -5.076 15.516 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.525 -3.253 16.015 1.00 3.87 N ATOM 0 H ARG A 188 -0.257 -4.944 13.422 1.00 0.40 H new ATOM 0 HA ARG A 188 0.953 -7.124 14.854 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.257 -7.622 15.593 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.190 -5.877 15.441 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.176 -6.147 13.078 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -2.430 -7.840 13.453 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.488 -6.591 13.981 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.784 -7.180 15.474 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.633 -4.619 15.177 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.831 -6.029 15.159 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.605 -4.593 15.837 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.621 -2.782 16.048 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.364 -2.769 16.336 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.088 -7.768 11.865 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.134 -8.834 10.828 1.00 0.46 C ATOM 1931 C LEU A 189 1.235 -9.523 10.778 1.00 0.41 C ATOM 1932 O LEU A 189 1.459 -10.437 10.010 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.471 -8.195 9.461 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.417 -9.099 8.657 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.776 -8.413 7.337 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.731 -10.435 8.364 1.00 1.78 C ATOM 0 H LEU A 189 -0.225 -6.819 11.516 1.00 0.43 H new ATOM 0 HA LEU A 189 -0.900 -9.572 11.066 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.934 -7.220 9.614 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.446 -8.027 8.897 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.323 -9.278 9.236 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.447 -9.053 6.765 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.269 -7.463 7.543 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.868 -8.234 6.761 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -1.406 -11.073 7.793 1.00 1.78 H new ATOM 0 HD22 LEU A 189 0.177 -10.259 7.787 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -0.475 -10.926 9.303 1.00 1.78 H new ATOM 1948 N ALA A 190 2.156 -9.086 11.592 1.00 0.37 N ATOM 1949 CA ALA A 190 3.506 -9.710 11.587 1.00 0.42 C ATOM 1950 C ALA A 190 3.427 -11.074 12.267 1.00 0.44 C ATOM 1951 O ALA A 190 4.370 -11.841 12.251 1.00 0.53 O ATOM 1952 CB ALA A 190 4.486 -8.814 12.349 1.00 0.47 C ATOM 0 H ALA A 190 2.031 -8.325 12.259 1.00 0.37 H new ATOM 0 HA ALA A 190 3.852 -9.830 10.561 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.475 -9.271 12.345 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.536 -7.837 11.867 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.145 -8.694 13.377 1.00 0.47 H new ATOM 1958 N PHE A 191 2.302 -11.389 12.860 1.00 0.42 N ATOM 1959 CA PHE A 191 2.151 -12.716 13.538 1.00 0.51 C ATOM 1960 C PHE A 191 0.741 -13.262 13.300 1.00 0.56 C ATOM 1961 O PHE A 191 0.540 -14.455 13.192 1.00 0.96 O ATOM 1962 CB PHE A 191 2.404 -12.561 15.042 1.00 0.58 C ATOM 1963 CG PHE A 191 1.299 -11.746 15.670 1.00 1.14 C ATOM 1964 CD1 PHE A 191 0.094 -12.361 16.031 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.481 -10.376 15.896 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -0.929 -11.606 16.617 1.00 2.87 C ATOM 1967 CE2 PHE A 191 0.458 -9.622 16.482 1.00 2.75 C ATOM 1968 CZ PHE A 191 -0.747 -10.237 16.843 1.00 3.15 C ATOM 0 H PHE A 191 1.481 -10.785 12.904 1.00 0.42 H new ATOM 0 HA PHE A 191 2.878 -13.415 13.124 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.456 -13.542 15.513 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.365 -12.075 15.209 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.046 -13.418 15.857 1.00 1.98 H new ATOM 0 HD2 PHE A 191 2.411 -9.901 15.618 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -1.859 -12.080 16.895 1.00 2.87 H new ATOM 0 HE2 PHE A 191 0.598 -8.565 16.656 1.00 2.75 H new ATOM 0 HZ PHE A 191 -1.536 -9.655 17.296 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.238 -12.403 13.215 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.628 -12.887 12.981 1.00 0.72 C ATOM 1980 C HIS A 192 -1.760 -13.341 11.525 1.00 0.67 C ATOM 1981 O HIS A 192 -0.820 -13.270 10.761 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.619 -11.751 13.263 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.005 -12.313 13.442 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.229 -13.636 13.792 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.248 -11.742 13.325 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.561 -13.814 13.873 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.228 -12.691 13.597 1.00 3.35 N ATOM 0 H HIS A 192 -0.136 -11.391 13.297 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.846 -13.724 13.645 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.318 -11.209 14.159 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.610 -11.036 12.440 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.436 -10.712 13.062 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.032 -14.751 14.130 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.239 -12.557 13.588 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.915 -13.808 11.131 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.090 -14.264 9.721 1.00 0.85 C ATOM 1997 C HIS A 193 -4.574 -14.238 9.352 1.00 0.74 C ATOM 1998 O HIS A 193 -5.222 -15.262 9.271 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.558 -15.691 9.577 1.00 1.28 C ATOM 2000 CG HIS A 193 -3.316 -16.603 10.503 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -4.264 -17.504 10.042 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.276 -16.764 11.865 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -4.752 -18.160 11.111 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -4.184 -17.748 12.248 1.00 3.87 N ATOM 0 H HIS A 193 -3.742 -13.893 11.722 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.539 -13.599 9.056 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.667 -16.029 8.546 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.494 -15.720 9.811 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.637 -16.211 12.538 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -5.511 -18.927 11.056 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -4.374 -18.082 13.193 1.00 3.87 H new ATOM 2012 N MET A 194 -5.117 -13.074 9.125 1.00 0.73 N ATOM 2013 CA MET A 194 -6.557 -12.984 8.758 1.00 0.79 C ATOM 2014 C MET A 194 -6.729 -13.300 7.270 1.00 0.75 C ATOM 2015 O MET A 194 -7.562 -14.096 6.889 1.00 0.90 O ATOM 2016 CB MET A 194 -7.068 -11.569 9.043 1.00 0.91 C ATOM 2017 CG MET A 194 -6.839 -11.228 10.517 1.00 1.47 C ATOM 2018 SD MET A 194 -7.997 -12.169 11.543 1.00 2.35 S ATOM 2019 CE MET A 194 -9.294 -10.911 11.647 1.00 2.94 C ATOM 0 H MET A 194 -4.626 -12.182 9.178 1.00 0.73 H new ATOM 0 HA MET A 194 -7.127 -13.702 9.348 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.550 -10.850 8.408 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.129 -11.500 8.804 1.00 0.91 H new ATOM 0 HG2 MET A 194 -5.813 -11.462 10.800 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.978 -10.159 10.680 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.121 -11.290 12.247 1.00 2.94 H new ATOM 0 HE2 MET A 194 -8.891 -10.011 12.111 1.00 2.94 H new ATOM 0 HE3 MET A 194 -9.652 -10.674 10.645 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.949 -12.677 6.426 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.071 -12.932 4.959 1.00 0.76 C ATOM 2031 C ALA A 195 -6.000 -14.435 4.677 1.00 0.90 C ATOM 2032 O ALA A 195 -6.490 -14.909 3.671 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.930 -12.227 4.223 1.00 0.82 C ATOM 0 H ALA A 195 -5.231 -12.001 6.689 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.030 -12.548 4.612 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.018 -12.412 3.153 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.983 -11.155 4.411 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.974 -12.611 4.580 1.00 0.82 H new