USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=17 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= -1.17 K(o=-0.13,f=-4!) USER MOD Set 1.2: A 127 TYR OH : rot -23:sc= 1.04 USER MOD Set 2.1: A 88 SER OG : rot 69:sc= -4.83! USER MOD Set 2.2: A 89 HIS : no HD1:sc= -3.21! C(o=-8!,f=-13!) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.17! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -171:sc= -1.19 (180deg=-1.72) USER MOD Single : A 92 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.0158) USER MOD Single : A 94 LYS NZ :NH3+ -163:sc=-0.00597 (180deg=-0.178) USER MOD Single : A 102 HIS : no HD1:sc= -1.25 K(o=-1.2,f=-5.4!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.0599 USER MOD Single : A 104 GLN : amide:sc= -0.0964 K(o=-0.096,f=-1.3!) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= -2.54! K(o=-2.5!,f=-0.72) USER MOD Single : A 117 THR OG1 : rot 3:sc= -1.94! USER MOD Single : A 118 GLN : amide:sc= -25.9! C(o=-26!,f=-21!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 ASN : amide:sc= -2.74 K(o=-2.7,f=-5.4!) 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 -142:sc= 1.19 USER MOD Single : A 142 CYS SG : rot 41:sc= 0.225 USER MOD Single : A 143 TYR OH : rot 180:sc= -0.128 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -0.671 X(o=-0.67,f=-0.19) USER MOD Single : A 193 HIS : no HD1:sc= -1.61 K(o=-1.6,f=-2.3!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.476 0.073 -7.741 1.00 1.04 N ATOM 275 CA VAL A 74 20.637 -0.423 -6.942 1.00 0.93 C ATOM 276 C VAL A 74 20.631 -1.954 -7.043 1.00 0.86 C ATOM 277 O VAL A 74 19.593 -2.536 -7.286 1.00 0.89 O ATOM 278 CB VAL A 74 20.445 0.000 -5.477 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.683 1.506 -5.324 1.00 1.17 C ATOM 280 CG2 VAL A 74 19.016 -0.333 -5.046 1.00 1.38 C ATOM 0 HA VAL A 74 21.580 -0.017 -7.309 1.00 0.93 H new ATOM 0 HB VAL A 74 21.160 -0.535 -4.852 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.544 1.792 -4.282 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.700 1.747 -5.634 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.975 2.051 -5.948 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.871 -0.036 -4.007 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.310 0.205 -5.679 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.847 -1.405 -5.144 1.00 1.38 H new ATOM 290 N PRO A 75 21.753 -2.614 -6.862 1.00 0.93 N ATOM 291 CA PRO A 75 21.819 -4.101 -6.939 1.00 1.00 C ATOM 292 C PRO A 75 20.540 -4.761 -6.407 1.00 0.88 C ATOM 293 O PRO A 75 20.066 -4.449 -5.333 1.00 0.84 O ATOM 294 CB PRO A 75 23.026 -4.425 -6.067 1.00 1.18 C ATOM 295 CG PRO A 75 23.963 -3.275 -6.297 1.00 1.37 C ATOM 296 CD PRO A 75 23.082 -2.039 -6.571 1.00 1.13 C ATOM 0 HA PRO A 75 21.909 -4.474 -7.959 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.748 -4.509 -5.016 1.00 1.18 H new ATOM 0 HB3 PRO A 75 23.481 -5.373 -6.353 1.00 1.18 H new ATOM 0 HG2 PRO A 75 24.599 -3.113 -5.427 1.00 1.37 H new ATOM 0 HG3 PRO A 75 24.623 -3.475 -7.141 1.00 1.37 H new ATOM 0 HD2 PRO A 75 23.050 -1.371 -5.710 1.00 1.13 H new ATOM 0 HD3 PRO A 75 23.459 -1.457 -7.412 1.00 1.13 H new ATOM 304 N LEU A 76 19.958 -5.641 -7.177 1.00 0.86 N ATOM 305 CA LEU A 76 18.684 -6.295 -6.748 1.00 0.77 C ATOM 306 C LEU A 76 18.881 -7.094 -5.459 1.00 0.77 C ATOM 307 O LEU A 76 19.319 -8.228 -5.479 1.00 0.85 O ATOM 308 CB LEU A 76 18.198 -7.246 -7.849 1.00 0.84 C ATOM 309 CG LEU A 76 17.860 -6.463 -9.127 1.00 0.87 C ATOM 310 CD1 LEU A 76 17.654 -7.452 -10.280 1.00 1.01 C ATOM 311 CD2 LEU A 76 16.575 -5.636 -8.928 1.00 0.76 C ATOM 0 H LEU A 76 20.310 -5.937 -8.088 1.00 0.86 H new ATOM 0 HA LEU A 76 17.947 -5.512 -6.568 1.00 0.77 H new ATOM 0 HB2 LEU A 76 18.968 -7.988 -8.063 1.00 0.84 H new ATOM 0 HB3 LEU A 76 17.318 -7.790 -7.505 1.00 0.84 H new ATOM 0 HG LEU A 76 18.682 -5.784 -9.356 1.00 0.87 H new ATOM 0 HD11 LEU A 76 17.414 -6.904 -11.191 1.00 1.01 H new ATOM 0 HD12 LEU A 76 18.567 -8.028 -10.433 1.00 1.01 H new ATOM 0 HD13 LEU A 76 16.835 -8.129 -10.037 1.00 1.01 H new ATOM 0 HD21 LEU A 76 16.350 -5.088 -9.843 1.00 0.76 H new ATOM 0 HD22 LEU A 76 15.746 -6.303 -8.692 1.00 0.76 H new ATOM 0 HD23 LEU A 76 16.719 -4.932 -8.109 1.00 0.76 H new ATOM 323 N ARG A 77 18.527 -6.523 -4.339 1.00 0.74 N ATOM 324 CA ARG A 77 18.656 -7.259 -3.049 1.00 0.79 C ATOM 325 C ARG A 77 17.398 -8.139 -2.870 1.00 0.71 C ATOM 326 O ARG A 77 16.303 -7.619 -2.783 1.00 0.73 O ATOM 327 CB ARG A 77 18.743 -6.247 -1.897 1.00 0.85 C ATOM 328 CG ARG A 77 20.166 -5.656 -1.810 1.00 1.19 C ATOM 329 CD ARG A 77 21.080 -6.568 -0.975 1.00 1.52 C ATOM 330 NE ARG A 77 20.455 -6.853 0.361 1.00 2.13 N ATOM 331 CZ ARG A 77 20.110 -5.894 1.180 1.00 2.66 C ATOM 332 NH1 ARG A 77 20.476 -4.663 0.952 1.00 2.73 N ATOM 333 NH2 ARG A 77 19.446 -6.179 2.267 1.00 3.61 N ATOM 0 H ARG A 77 18.153 -5.577 -4.262 1.00 0.74 H new ATOM 0 HA ARG A 77 19.553 -7.879 -3.050 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.018 -5.447 -2.051 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.486 -6.734 -0.956 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.578 -5.538 -2.812 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.127 -4.663 -1.362 1.00 1.19 H new ATOM 0 HD2 ARG A 77 21.257 -7.502 -1.508 1.00 1.52 H new ATOM 0 HD3 ARG A 77 22.051 -6.092 -0.836 1.00 1.52 H new ATOM 0 HE ARG A 77 20.295 -7.822 0.637 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.036 -4.442 0.129 1.00 2.73 H new ATOM 0 HH12 ARG A 77 20.202 -3.922 1.597 1.00 2.73 H new ATOM 0 HH21 ARG A 77 19.198 -7.147 2.475 1.00 3.61 H new ATOM 0 HH22 ARG A 77 19.175 -5.434 2.909 1.00 3.61 H new ATOM 347 N PRO A 78 17.525 -9.451 -2.829 1.00 0.79 N ATOM 348 CA PRO A 78 16.349 -10.363 -2.674 1.00 0.76 C ATOM 349 C PRO A 78 15.296 -9.839 -1.685 1.00 0.67 C ATOM 350 O PRO A 78 15.587 -9.562 -0.538 1.00 0.69 O ATOM 351 CB PRO A 78 16.981 -11.655 -2.163 1.00 0.86 C ATOM 352 CG PRO A 78 18.328 -11.688 -2.808 1.00 1.18 C ATOM 353 CD PRO A 78 18.783 -10.224 -2.919 1.00 1.06 C ATOM 0 HA PRO A 78 15.799 -10.474 -3.609 1.00 0.76 H new ATOM 0 HB2 PRO A 78 17.061 -11.656 -1.076 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.386 -12.525 -2.440 1.00 0.86 H new ATOM 0 HG2 PRO A 78 19.031 -12.271 -2.213 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.278 -12.156 -3.791 1.00 1.18 H new ATOM 0 HD2 PRO A 78 19.473 -9.959 -2.118 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.300 -10.037 -3.860 1.00 1.06 H new ATOM 361 N MET A 79 14.070 -9.716 -2.126 1.00 0.65 N ATOM 362 CA MET A 79 12.983 -9.226 -1.225 1.00 0.61 C ATOM 363 C MET A 79 12.693 -10.290 -0.160 1.00 0.51 C ATOM 364 O MET A 79 12.173 -11.347 -0.457 1.00 0.56 O ATOM 365 CB MET A 79 11.720 -8.972 -2.055 1.00 0.66 C ATOM 366 CG MET A 79 10.651 -8.300 -1.191 1.00 0.74 C ATOM 367 SD MET A 79 11.158 -6.605 -0.800 1.00 1.25 S ATOM 368 CE MET A 79 9.624 -6.078 0.008 1.00 0.83 C ATOM 0 H MET A 79 13.774 -9.935 -3.077 1.00 0.65 H new ATOM 0 HA MET A 79 13.292 -8.301 -0.739 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.958 -8.340 -2.910 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.340 -9.914 -2.451 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.697 -8.292 -1.717 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.503 -8.867 -0.272 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.721 -5.042 0.333 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.795 -6.161 -0.695 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.431 -6.713 0.873 1.00 0.83 H new ATOM 378 N THR A 80 13.030 -10.028 1.077 1.00 0.56 N ATOM 379 CA THR A 80 12.779 -11.035 2.154 1.00 0.60 C ATOM 380 C THR A 80 11.416 -10.809 2.785 1.00 0.56 C ATOM 381 O THR A 80 10.962 -9.695 2.925 1.00 0.50 O ATOM 382 CB THR A 80 13.862 -10.922 3.232 1.00 0.77 C ATOM 383 OG1 THR A 80 13.552 -9.849 4.109 1.00 0.94 O ATOM 384 CG2 THR A 80 15.219 -10.667 2.571 1.00 0.73 C ATOM 0 H THR A 80 13.468 -9.161 1.388 1.00 0.56 H new ATOM 0 HA THR A 80 12.804 -12.030 1.711 1.00 0.60 H new ATOM 0 HB THR A 80 13.904 -11.852 3.799 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.316 -9.676 4.698 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.988 -10.587 3.339 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.459 -11.493 1.902 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.177 -9.739 2.001 1.00 0.73 H new ATOM 392 N TYR A 81 10.762 -11.865 3.208 1.00 0.61 N ATOM 393 CA TYR A 81 9.446 -11.688 3.878 1.00 0.60 C ATOM 394 C TYR A 81 9.692 -10.673 4.992 1.00 0.51 C ATOM 395 O TYR A 81 8.952 -9.728 5.179 1.00 0.45 O ATOM 396 CB TYR A 81 8.968 -13.060 4.431 1.00 0.69 C ATOM 397 CG TYR A 81 8.583 -12.971 5.897 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.338 -12.449 6.264 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.479 -13.403 6.883 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.987 -12.361 7.618 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.128 -13.317 8.235 1.00 0.77 C ATOM 402 CZ TYR A 81 7.883 -12.796 8.603 1.00 0.73 C ATOM 403 OH TYR A 81 7.538 -12.708 9.936 1.00 0.90 O ATOM 0 H TYR A 81 11.082 -12.829 3.117 1.00 0.61 H new ATOM 0 HA TYR A 81 8.665 -11.332 3.206 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.114 -13.409 3.851 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.760 -13.798 4.307 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.648 -12.114 5.504 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.441 -13.803 6.600 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.026 -11.958 7.902 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.818 -13.653 8.994 1.00 0.77 H new ATOM 0 HH TYR A 81 8.271 -13.053 10.487 1.00 0.90 H new ATOM 413 N LYS A 82 10.774 -10.854 5.693 1.00 0.52 N ATOM 414 CA LYS A 82 11.137 -9.897 6.753 1.00 0.48 C ATOM 415 C LYS A 82 11.274 -8.521 6.108 1.00 0.40 C ATOM 416 O LYS A 82 11.035 -7.508 6.736 1.00 0.38 O ATOM 417 CB LYS A 82 12.467 -10.311 7.387 1.00 0.55 C ATOM 418 CG LYS A 82 12.681 -9.525 8.687 1.00 0.60 C ATOM 419 CD LYS A 82 13.981 -9.988 9.387 1.00 0.92 C ATOM 420 CE LYS A 82 15.161 -9.097 8.971 1.00 1.49 C ATOM 421 NZ LYS A 82 15.252 -9.044 7.485 1.00 2.32 N ATOM 0 H LYS A 82 11.422 -11.632 5.571 1.00 0.52 H new ATOM 0 HA LYS A 82 10.375 -9.878 7.532 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.466 -11.381 7.593 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.287 -10.120 6.695 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.737 -8.458 8.470 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.830 -9.671 9.352 1.00 0.60 H new ATOM 0 HD2 LYS A 82 13.852 -9.950 10.469 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.191 -11.025 9.127 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.030 -8.092 9.373 1.00 1.49 H new ATOM 0 HE3 LYS A 82 16.089 -9.488 9.388 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 16.135 -8.570 7.208 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 15.244 -10.011 7.102 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 14.441 -8.515 7.106 1.00 2.32 H new ATOM 435 N ALA A 83 11.647 -8.465 4.846 1.00 0.42 N ATOM 436 CA ALA A 83 11.774 -7.128 4.192 1.00 0.41 C ATOM 437 C ALA A 83 10.393 -6.460 4.147 1.00 0.35 C ATOM 438 O ALA A 83 10.272 -5.256 4.258 1.00 0.34 O ATOM 439 CB ALA A 83 12.319 -7.276 2.767 1.00 0.52 C ATOM 0 H ALA A 83 11.863 -9.269 4.257 1.00 0.42 H new ATOM 0 HA ALA A 83 12.468 -6.515 4.767 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.405 -6.292 2.306 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.301 -7.748 2.800 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.639 -7.894 2.180 1.00 0.52 H new ATOM 445 N ALA A 84 9.353 -7.235 3.987 1.00 0.34 N ATOM 446 CA ALA A 84 7.980 -6.652 3.935 1.00 0.31 C ATOM 447 C ALA A 84 7.649 -5.992 5.277 1.00 0.28 C ATOM 448 O ALA A 84 7.241 -4.849 5.332 1.00 0.28 O ATOM 449 CB ALA A 84 6.965 -7.762 3.645 1.00 0.34 C ATOM 0 H ALA A 84 9.395 -8.249 3.890 1.00 0.34 H new ATOM 0 HA ALA A 84 7.935 -5.903 3.145 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.962 -7.337 3.607 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.199 -8.227 2.687 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.011 -8.513 4.434 1.00 0.34 H new ATOM 455 N VAL A 85 7.811 -6.705 6.358 1.00 0.29 N ATOM 456 CA VAL A 85 7.493 -6.114 7.691 1.00 0.29 C ATOM 457 C VAL A 85 8.429 -4.940 7.971 1.00 0.29 C ATOM 458 O VAL A 85 7.999 -3.876 8.371 1.00 0.30 O ATOM 459 CB VAL A 85 7.654 -7.180 8.783 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.886 -6.756 10.040 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.099 -8.512 8.276 1.00 0.38 C ATOM 0 H VAL A 85 8.148 -7.667 6.377 1.00 0.29 H new ATOM 0 HA VAL A 85 6.463 -5.758 7.689 1.00 0.29 H new ATOM 0 HB VAL A 85 8.711 -7.290 9.026 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.004 -7.516 10.812 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.279 -5.806 10.403 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.829 -6.643 9.800 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.212 -9.271 9.050 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.043 -8.397 8.032 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.646 -8.818 7.384 1.00 0.38 H new ATOM 471 N ASP A 86 9.702 -5.111 7.757 1.00 0.30 N ATOM 472 CA ASP A 86 10.638 -3.985 8.008 1.00 0.32 C ATOM 473 C ASP A 86 10.245 -2.829 7.091 1.00 0.30 C ATOM 474 O ASP A 86 10.237 -1.679 7.484 1.00 0.31 O ATOM 475 CB ASP A 86 12.071 -4.427 7.700 1.00 0.36 C ATOM 476 CG ASP A 86 12.592 -5.303 8.840 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.854 -6.169 9.279 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.720 -5.093 9.256 1.00 1.05 O ATOM 0 H ASP A 86 10.131 -5.974 7.422 1.00 0.30 H new ATOM 0 HA ASP A 86 10.586 -3.674 9.051 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.098 -4.980 6.761 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.713 -3.555 7.575 1.00 0.36 H new ATOM 483 N LEU A 87 9.906 -3.133 5.868 1.00 0.29 N ATOM 484 CA LEU A 87 9.494 -2.066 4.916 1.00 0.30 C ATOM 485 C LEU A 87 8.232 -1.381 5.440 1.00 0.29 C ATOM 486 O LEU A 87 8.107 -0.174 5.397 1.00 0.30 O ATOM 487 CB LEU A 87 9.209 -2.693 3.544 1.00 0.33 C ATOM 488 CG LEU A 87 8.757 -1.618 2.542 1.00 0.42 C ATOM 489 CD1 LEU A 87 9.838 -0.533 2.401 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.505 -2.277 1.179 1.00 0.44 C ATOM 0 H LEU A 87 9.897 -4.079 5.487 1.00 0.29 H new ATOM 0 HA LEU A 87 10.292 -1.330 4.819 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.105 -3.191 3.172 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.437 -3.456 3.640 1.00 0.33 H new ATOM 0 HG LEU A 87 7.840 -1.152 2.903 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.505 0.222 1.689 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.013 -0.065 3.370 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.763 -0.985 2.044 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.184 -1.521 0.463 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.424 -2.745 0.825 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.728 -3.035 1.279 1.00 0.44 H new ATOM 502 N SER A 88 7.288 -2.143 5.926 1.00 0.30 N ATOM 503 CA SER A 88 6.034 -1.524 6.439 1.00 0.34 C ATOM 504 C SER A 88 6.379 -0.420 7.442 1.00 0.33 C ATOM 505 O SER A 88 5.919 0.700 7.329 1.00 0.36 O ATOM 506 CB SER A 88 5.177 -2.593 7.121 1.00 0.40 C ATOM 507 OG SER A 88 5.802 -2.998 8.330 1.00 0.44 O ATOM 0 H SER A 88 7.331 -3.160 5.989 1.00 0.30 H new ATOM 0 HA SER A 88 5.477 -1.092 5.608 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.182 -2.200 7.327 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.050 -3.450 6.459 1.00 0.40 H new ATOM 0 HG SER A 88 5.767 -2.264 8.978 1.00 0.44 H new ATOM 513 N HIS A 89 7.184 -0.722 8.422 1.00 0.34 N ATOM 514 CA HIS A 89 7.553 0.314 9.427 1.00 0.36 C ATOM 515 C HIS A 89 8.520 1.323 8.805 1.00 0.36 C ATOM 516 O HIS A 89 8.541 2.480 9.175 1.00 0.41 O ATOM 517 CB HIS A 89 8.214 -0.353 10.637 1.00 0.41 C ATOM 518 CG HIS A 89 7.450 -1.593 11.007 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.224 -1.904 10.441 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.726 -2.613 11.885 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.812 -3.067 10.980 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.689 -3.542 11.866 1.00 0.82 N ATOM 0 H HIS A 89 7.602 -1.640 8.571 1.00 0.34 H new ATOM 0 HA HIS A 89 6.651 0.835 9.749 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.249 -0.606 10.406 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.236 0.338 11.480 1.00 0.41 H new ATOM 0 HD2 HIS A 89 8.613 -2.684 12.497 1.00 1.01 H new ATOM 0 HE1 HIS A 89 4.883 -3.556 10.726 1.00 1.27 H new ATOM 0 HE2 HIS A 89 6.616 -4.401 12.412 1.00 0.82 H new ATOM 530 N PHE A 90 9.322 0.905 7.864 1.00 0.34 N ATOM 531 CA PHE A 90 10.272 1.862 7.236 1.00 0.37 C ATOM 532 C PHE A 90 9.479 3.020 6.631 1.00 0.40 C ATOM 533 O PHE A 90 9.742 4.175 6.900 1.00 0.47 O ATOM 534 CB PHE A 90 11.067 1.153 6.136 1.00 0.38 C ATOM 535 CG PHE A 90 12.238 2.015 5.725 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.380 2.074 6.533 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.181 2.756 4.538 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.466 2.873 6.153 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.268 3.555 4.159 1.00 0.70 C ATOM 540 CZ PHE A 90 14.410 3.613 4.966 1.00 0.72 C ATOM 0 H PHE A 90 9.360 -0.050 7.506 1.00 0.34 H new ATOM 0 HA PHE A 90 10.965 2.241 7.987 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.421 0.186 6.494 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.425 0.959 5.277 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.424 1.504 7.449 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.300 2.712 3.915 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.347 2.918 6.776 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.224 4.126 3.244 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.248 4.228 4.673 1.00 0.72 H new ATOM 550 N LEU A 91 8.504 2.716 5.820 1.00 0.37 N ATOM 551 CA LEU A 91 7.682 3.792 5.201 1.00 0.42 C ATOM 552 C LEU A 91 6.990 4.601 6.305 1.00 0.47 C ATOM 553 O LEU A 91 6.724 5.775 6.149 1.00 0.57 O ATOM 554 CB LEU A 91 6.627 3.157 4.271 1.00 0.41 C ATOM 555 CG LEU A 91 7.206 2.966 2.852 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.453 1.844 2.132 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.059 4.262 2.044 1.00 0.54 C ATOM 0 H LEU A 91 8.241 1.766 5.559 1.00 0.37 H new ATOM 0 HA LEU A 91 8.320 4.456 4.618 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.310 2.195 4.674 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.742 3.792 4.227 1.00 0.41 H new ATOM 0 HG LEU A 91 8.261 2.708 2.938 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.865 1.713 1.131 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.560 0.916 2.693 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.397 2.104 2.058 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.470 4.117 1.045 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.004 4.525 1.967 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.598 5.066 2.545 1.00 0.54 H new ATOM 569 N LYS A 92 6.687 3.980 7.416 1.00 0.45 N ATOM 570 CA LYS A 92 6.006 4.722 8.515 1.00 0.53 C ATOM 571 C LYS A 92 6.918 5.838 9.031 1.00 0.63 C ATOM 572 O LYS A 92 6.473 6.930 9.326 1.00 0.85 O ATOM 573 CB LYS A 92 5.687 3.753 9.658 1.00 0.54 C ATOM 574 CG LYS A 92 4.715 4.415 10.636 1.00 0.73 C ATOM 575 CD LYS A 92 4.302 3.405 11.711 1.00 1.20 C ATOM 576 CE LYS A 92 3.464 4.108 12.782 1.00 1.61 C ATOM 577 NZ LYS A 92 2.100 4.384 12.247 1.00 2.27 N ATOM 0 H LYS A 92 6.881 2.997 7.608 1.00 0.45 H new ATOM 0 HA LYS A 92 5.083 5.161 8.137 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.251 2.837 9.260 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.604 3.471 10.176 1.00 0.54 H new ATOM 0 HG2 LYS A 92 5.184 5.283 11.099 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.835 4.774 10.103 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.729 2.594 11.261 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.187 2.958 12.163 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.397 3.484 13.673 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.944 5.040 13.081 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.516 4.815 12.991 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.169 5.036 11.440 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.662 3.493 11.936 1.00 2.27 H new ATOM 591 N GLU A 93 8.189 5.572 9.149 1.00 0.62 N ATOM 592 CA GLU A 93 9.130 6.614 9.654 1.00 0.76 C ATOM 593 C GLU A 93 9.289 7.731 8.614 1.00 0.77 C ATOM 594 O GLU A 93 9.320 8.899 8.944 1.00 1.05 O ATOM 595 CB GLU A 93 10.500 5.982 9.923 1.00 0.94 C ATOM 596 CG GLU A 93 10.351 4.795 10.881 1.00 1.22 C ATOM 597 CD GLU A 93 10.131 5.309 12.305 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.027 5.952 12.827 1.00 2.73 O ATOM 599 OE2 GLU A 93 9.071 5.050 12.851 1.00 2.54 O ATOM 0 H GLU A 93 8.619 4.676 8.917 1.00 0.62 H new ATOM 0 HA GLU A 93 8.728 7.034 10.576 1.00 0.76 H new ATOM 0 HB2 GLU A 93 10.947 5.650 8.986 1.00 0.94 H new ATOM 0 HB3 GLU A 93 11.174 6.724 10.352 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.511 4.171 10.575 1.00 1.22 H new ATOM 0 HG3 GLU A 93 11.243 4.170 10.843 1.00 1.22 H new ATOM 606 N LYS A 94 9.405 7.377 7.362 1.00 0.80 N ATOM 607 CA LYS A 94 9.579 8.411 6.302 1.00 1.02 C ATOM 608 C LYS A 94 8.238 9.065 5.978 1.00 0.96 C ATOM 609 O LYS A 94 7.998 9.481 4.862 1.00 1.41 O ATOM 610 CB LYS A 94 10.144 7.763 5.036 1.00 1.39 C ATOM 611 CG LYS A 94 11.590 7.318 5.284 1.00 1.63 C ATOM 612 CD LYS A 94 12.264 6.979 3.950 1.00 2.18 C ATOM 613 CE LYS A 94 13.770 6.816 4.166 1.00 2.61 C ATOM 614 NZ LYS A 94 14.396 8.160 4.321 1.00 2.96 N ATOM 0 H LYS A 94 9.387 6.414 7.027 1.00 0.80 H new ATOM 0 HA LYS A 94 10.270 9.172 6.665 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.534 6.906 4.751 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.108 8.470 4.207 1.00 1.39 H new ATOM 0 HG2 LYS A 94 12.142 8.110 5.790 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.605 6.448 5.941 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.843 6.061 3.541 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.073 7.769 3.223 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.958 6.211 5.053 1.00 2.61 H new ATOM 0 HE3 LYS A 94 14.215 6.291 3.321 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.423 8.083 4.180 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 13.998 8.812 3.615 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 14.204 8.524 5.276 1.00 2.96 H new ATOM 628 N GLY A 95 7.367 9.166 6.948 1.00 1.12 N ATOM 629 CA GLY A 95 6.028 9.804 6.713 1.00 1.51 C ATOM 630 C GLY A 95 4.918 8.872 7.207 1.00 1.10 C ATOM 631 O GLY A 95 5.140 7.704 7.459 1.00 1.71 O ATOM 0 H GLY A 95 7.522 8.833 7.900 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.973 10.759 7.235 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.895 10.013 5.651 1.00 1.51 H new ATOM 635 N GLY A 96 3.722 9.385 7.355 1.00 1.17 N ATOM 636 CA GLY A 96 2.587 8.543 7.842 1.00 0.99 C ATOM 637 C GLY A 96 1.736 8.074 6.655 1.00 0.81 C ATOM 638 O GLY A 96 0.842 8.768 6.214 1.00 0.83 O ATOM 0 H GLY A 96 3.482 10.357 7.158 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.971 7.681 8.388 1.00 0.99 H new ATOM 0 HA3 GLY A 96 1.972 9.114 8.538 1.00 0.99 H new ATOM 642 N LEU A 97 1.993 6.900 6.135 1.00 0.67 N ATOM 643 CA LEU A 97 1.179 6.402 4.990 1.00 0.55 C ATOM 644 C LEU A 97 -0.149 5.877 5.543 1.00 0.46 C ATOM 645 O LEU A 97 -1.130 5.760 4.837 1.00 0.49 O ATOM 646 CB LEU A 97 1.953 5.272 4.281 1.00 0.54 C ATOM 647 CG LEU A 97 1.062 4.546 3.260 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.604 5.529 2.183 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.863 3.416 2.607 1.00 0.66 C ATOM 0 H LEU A 97 2.728 6.269 6.454 1.00 0.67 H new ATOM 0 HA LEU A 97 0.985 7.198 4.271 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.826 5.686 3.777 1.00 0.54 H new ATOM 0 HB3 LEU A 97 2.320 4.559 5.020 1.00 0.54 H new ATOM 0 HG LEU A 97 0.189 4.136 3.768 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.027 5.010 1.462 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.038 6.337 2.645 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.475 5.941 1.673 1.00 0.65 H new ATOM 0 HD21 LEU A 97 1.236 2.897 1.882 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.734 3.833 2.101 1.00 0.66 H new ATOM 0 HD23 LEU A 97 2.190 2.712 3.373 1.00 0.66 H new ATOM 661 N GLU A 98 -0.177 5.561 6.807 1.00 0.44 N ATOM 662 CA GLU A 98 -1.427 5.044 7.433 1.00 0.40 C ATOM 663 C GLU A 98 -2.581 6.024 7.224 1.00 0.40 C ATOM 664 O GLU A 98 -2.394 7.218 7.092 1.00 0.58 O ATOM 665 CB GLU A 98 -1.198 4.859 8.935 1.00 0.49 C ATOM 666 CG GLU A 98 -2.472 4.313 9.603 1.00 0.48 C ATOM 667 CD GLU A 98 -3.441 5.460 9.901 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.988 6.481 10.391 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.621 5.297 9.636 1.00 1.94 O ATOM 0 H GLU A 98 0.619 5.639 7.439 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.683 4.092 6.967 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.368 4.172 9.102 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.920 5.811 9.388 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.950 3.583 8.950 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.214 3.795 10.527 1.00 0.48 H new ATOM 676 N GLY A 99 -3.776 5.513 7.234 1.00 0.39 N ATOM 677 CA GLY A 99 -4.987 6.370 7.080 1.00 0.42 C ATOM 678 C GLY A 99 -4.890 7.279 5.848 1.00 0.42 C ATOM 679 O GLY A 99 -5.751 8.105 5.621 1.00 0.46 O ATOM 0 H GLY A 99 -3.972 4.518 7.344 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.871 5.738 6.996 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.115 6.981 7.973 1.00 0.42 H new ATOM 683 N LEU A 100 -3.871 7.147 5.043 1.00 0.41 N ATOM 684 CA LEU A 100 -3.781 8.029 3.837 1.00 0.43 C ATOM 685 C LEU A 100 -4.781 7.531 2.786 1.00 0.42 C ATOM 686 O LEU A 100 -4.659 6.438 2.271 1.00 0.44 O ATOM 687 CB LEU A 100 -2.357 7.994 3.267 1.00 0.45 C ATOM 688 CG LEU A 100 -2.076 9.265 2.441 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.928 10.498 3.358 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.784 9.059 1.640 1.00 1.17 C ATOM 0 H LEU A 100 -3.108 6.480 5.161 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.018 9.057 4.112 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.635 7.914 4.080 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.231 7.111 2.641 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.914 9.442 1.767 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.730 11.381 2.751 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.849 10.644 3.922 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -1.100 10.340 4.049 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.575 9.952 1.051 1.00 1.17 H new ATOM 0 HD22 LEU A 100 0.043 8.874 2.325 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -0.901 8.204 0.974 1.00 1.17 H new ATOM 702 N ILE A 101 -5.781 8.312 2.484 1.00 0.44 N ATOM 703 CA ILE A 101 -6.798 7.868 1.490 1.00 0.45 C ATOM 704 C ILE A 101 -6.177 7.692 0.094 1.00 0.46 C ATOM 705 O ILE A 101 -5.848 8.643 -0.586 1.00 0.49 O ATOM 706 CB ILE A 101 -7.963 8.873 1.465 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.854 8.666 2.714 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.803 8.694 0.195 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.838 7.489 2.525 1.00 0.52 C ATOM 0 H ILE A 101 -5.938 9.238 2.882 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.182 6.893 1.789 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.553 9.883 1.471 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.224 8.478 3.583 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.413 9.579 2.917 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.622 9.414 0.196 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.177 8.858 -0.682 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.209 7.683 0.167 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.446 7.375 3.423 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.485 7.689 1.671 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.278 6.571 2.348 1.00 0.52 H new ATOM 721 N HIS A 102 -6.048 6.460 -0.334 1.00 0.47 N ATOM 722 CA HIS A 102 -5.487 6.163 -1.683 1.00 0.51 C ATOM 723 C HIS A 102 -6.457 6.689 -2.750 1.00 0.58 C ATOM 724 O HIS A 102 -7.568 6.203 -2.887 1.00 0.64 O ATOM 725 CB HIS A 102 -5.308 4.633 -1.822 1.00 0.57 C ATOM 726 CG HIS A 102 -5.364 4.202 -3.270 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.540 3.776 -3.866 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.401 4.124 -4.243 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.258 3.464 -5.144 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.968 3.658 -5.427 1.00 0.70 N ATOM 0 H HIS A 102 -6.313 5.636 0.206 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.519 6.648 -1.813 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.353 4.336 -1.389 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.087 4.121 -1.258 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.361 4.384 -4.111 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -6.986 3.101 -5.854 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.498 3.499 -6.318 1.00 0.70 H new ATOM 738 N SER A 103 -6.042 7.670 -3.505 1.00 0.60 N ATOM 739 CA SER A 103 -6.927 8.225 -4.567 1.00 0.69 C ATOM 740 C SER A 103 -7.101 7.193 -5.684 1.00 0.76 C ATOM 741 O SER A 103 -8.147 6.591 -5.829 1.00 0.85 O ATOM 742 CB SER A 103 -6.296 9.492 -5.142 1.00 0.74 C ATOM 743 OG SER A 103 -4.951 9.219 -5.511 1.00 1.49 O ATOM 0 H SER A 103 -5.126 8.112 -3.431 1.00 0.60 H new ATOM 0 HA SER A 103 -7.901 8.462 -4.138 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.861 9.833 -6.009 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.328 10.295 -4.405 1.00 0.74 H new ATOM 0 HG SER A 103 -4.543 10.029 -5.882 1.00 1.49 H new ATOM 749 N GLN A 104 -6.083 6.986 -6.480 1.00 0.81 N ATOM 750 CA GLN A 104 -6.193 5.997 -7.591 1.00 0.92 C ATOM 751 C GLN A 104 -4.796 5.673 -8.139 1.00 0.93 C ATOM 752 O GLN A 104 -4.187 4.690 -7.764 1.00 1.37 O ATOM 753 CB GLN A 104 -7.064 6.585 -8.709 1.00 1.06 C ATOM 754 CG GLN A 104 -7.390 5.501 -9.747 1.00 1.76 C ATOM 755 CD GLN A 104 -8.554 4.641 -9.247 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.488 5.147 -8.657 1.00 2.64 O ATOM 757 NE2 GLN A 104 -8.539 3.354 -9.462 1.00 2.70 N ATOM 0 H GLN A 104 -5.182 7.459 -6.408 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.650 5.081 -7.217 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.986 6.987 -8.289 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.544 7.414 -9.188 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.649 5.963 -10.700 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.514 4.877 -9.923 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -7.755 2.929 -9.957 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.311 2.773 -9.135 1.00 2.70 H new ATOM 766 N ARG A 105 -4.283 6.489 -9.023 1.00 0.83 N ATOM 767 CA ARG A 105 -2.930 6.221 -9.590 1.00 0.87 C ATOM 768 C ARG A 105 -1.876 6.380 -8.492 1.00 0.74 C ATOM 769 O ARG A 105 -0.728 6.017 -8.660 1.00 0.70 O ATOM 770 CB ARG A 105 -2.648 7.213 -10.721 1.00 1.06 C ATOM 771 CG ARG A 105 -3.783 7.150 -11.753 1.00 1.71 C ATOM 772 CD ARG A 105 -3.523 8.144 -12.910 1.00 1.99 C ATOM 773 NE ARG A 105 -4.773 8.911 -13.223 1.00 2.86 N ATOM 774 CZ ARG A 105 -5.928 8.308 -13.351 1.00 3.60 C ATOM 775 NH1 ARG A 105 -6.004 7.007 -13.302 1.00 3.73 N ATOM 776 NH2 ARG A 105 -7.007 9.011 -13.561 1.00 4.61 N ATOM 0 H ARG A 105 -4.743 7.328 -9.376 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.893 5.204 -9.981 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.562 8.223 -10.320 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.696 6.977 -11.197 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.867 6.138 -12.148 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.733 7.384 -11.272 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -2.724 8.833 -12.635 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -3.188 7.604 -13.795 1.00 1.99 H new ATOM 0 HE ARG A 105 -4.722 9.923 -13.339 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -5.160 6.452 -13.163 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -6.908 6.545 -13.403 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -6.949 10.027 -13.625 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -7.908 8.544 -13.661 1.00 4.61 H new ATOM 790 N ARG A 106 -2.261 6.920 -7.369 1.00 0.71 N ATOM 791 CA ARG A 106 -1.287 7.105 -6.257 1.00 0.65 C ATOM 792 C ARG A 106 -0.648 5.758 -5.909 1.00 0.54 C ATOM 793 O ARG A 106 0.488 5.692 -5.484 1.00 0.50 O ATOM 794 CB ARG A 106 -2.018 7.664 -5.035 1.00 0.70 C ATOM 795 CG ARG A 106 -0.994 8.091 -3.973 1.00 1.01 C ATOM 796 CD ARG A 106 -1.699 8.799 -2.795 1.00 1.24 C ATOM 797 NE ARG A 106 -0.886 9.978 -2.357 1.00 1.86 N ATOM 798 CZ ARG A 106 0.402 9.878 -2.159 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.990 8.714 -2.192 1.00 2.86 N ATOM 800 NH2 ARG A 106 1.098 10.946 -1.879 1.00 3.29 N ATOM 0 H ARG A 106 -3.209 7.241 -7.173 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.507 7.802 -6.562 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.633 8.516 -5.325 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.690 6.910 -4.624 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -0.453 7.217 -3.609 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.257 8.759 -4.418 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -2.695 9.123 -3.096 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.827 8.105 -1.965 1.00 1.24 H new ATOM 0 HE ARG A 106 -1.346 10.876 -2.210 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.444 7.872 -2.374 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.996 8.646 -2.036 1.00 2.86 H new ATOM 0 HH21 ARG A 106 0.636 11.853 -1.816 1.00 3.29 H new ATOM 0 HH22 ARG A 106 2.103 10.873 -1.724 1.00 3.29 H new ATOM 814 N GLN A 107 -1.365 4.682 -6.089 1.00 0.55 N ATOM 815 CA GLN A 107 -0.788 3.344 -5.771 1.00 0.52 C ATOM 816 C GLN A 107 0.399 3.074 -6.696 1.00 0.49 C ATOM 817 O GLN A 107 1.423 2.570 -6.279 1.00 0.44 O ATOM 818 CB GLN A 107 -1.845 2.260 -5.985 1.00 0.63 C ATOM 819 CG GLN A 107 -1.325 0.925 -5.449 1.00 1.11 C ATOM 820 CD GLN A 107 -2.408 -0.142 -5.609 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.648 -0.623 -6.700 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.081 -0.535 -4.562 1.00 2.12 N ATOM 0 H GLN A 107 -2.322 4.671 -6.441 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.461 3.331 -4.731 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.769 2.533 -5.476 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.080 2.171 -7.046 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.425 0.629 -5.988 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.049 1.025 -4.399 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.881 -0.132 -3.646 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.807 -1.245 -4.659 1.00 2.12 H new ATOM 831 N ASP A 108 0.270 3.405 -7.951 1.00 0.56 N ATOM 832 CA ASP A 108 1.391 3.164 -8.901 1.00 0.59 C ATOM 833 C ASP A 108 2.649 3.867 -8.388 1.00 0.54 C ATOM 834 O ASP A 108 3.739 3.335 -8.456 1.00 0.54 O ATOM 835 CB ASP A 108 1.020 3.718 -10.279 1.00 0.72 C ATOM 836 CG ASP A 108 -0.123 2.890 -10.873 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.166 1.894 -11.518 1.00 1.33 O ATOM 838 OD2 ASP A 108 -1.265 3.266 -10.675 1.00 1.42 O ATOM 0 H ASP A 108 -0.562 3.831 -8.359 1.00 0.56 H new ATOM 0 HA ASP A 108 1.579 2.093 -8.981 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.720 4.762 -10.194 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.886 3.688 -10.940 1.00 0.72 H new ATOM 843 N ILE A 109 2.506 5.058 -7.875 1.00 0.55 N ATOM 844 CA ILE A 109 3.696 5.794 -7.357 1.00 0.54 C ATOM 845 C ILE A 109 4.353 4.983 -6.238 1.00 0.47 C ATOM 846 O ILE A 109 5.556 4.817 -6.202 1.00 0.53 O ATOM 847 CB ILE A 109 3.254 7.155 -6.814 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.411 7.868 -7.875 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.484 8.005 -6.486 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.040 9.268 -7.383 1.00 1.47 C ATOM 0 H ILE A 109 1.618 5.554 -7.792 1.00 0.55 H new ATOM 0 HA ILE A 109 4.414 5.940 -8.164 1.00 0.54 H new ATOM 0 HB ILE A 109 2.665 7.012 -5.908 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.967 7.936 -8.810 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.508 7.294 -8.082 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.165 8.973 -6.100 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.088 7.496 -5.735 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.076 8.152 -7.389 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.440 9.773 -8.140 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.467 9.189 -6.459 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.948 9.841 -7.198 1.00 1.47 H new ATOM 862 N LEU A 110 3.574 4.476 -5.323 1.00 0.43 N ATOM 863 CA LEU A 110 4.154 3.674 -4.208 1.00 0.39 C ATOM 864 C LEU A 110 5.075 2.595 -4.786 1.00 0.38 C ATOM 865 O LEU A 110 6.273 2.621 -4.597 1.00 0.38 O ATOM 866 CB LEU A 110 3.010 3.019 -3.416 1.00 0.42 C ATOM 867 CG LEU A 110 3.559 2.117 -2.296 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.343 2.951 -1.276 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.382 1.430 -1.595 1.00 0.66 C ATOM 0 H LEU A 110 2.560 4.582 -5.299 1.00 0.43 H new ATOM 0 HA LEU A 110 4.732 4.318 -3.545 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.372 3.791 -2.986 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.387 2.430 -4.090 1.00 0.42 H new ATOM 0 HG LEU A 110 4.229 1.373 -2.727 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.725 2.300 -0.490 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.177 3.446 -1.774 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.685 3.702 -0.837 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.758 0.787 -0.799 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.720 2.185 -1.170 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.830 0.828 -2.317 1.00 0.66 H new ATOM 881 N ASP A 111 4.518 1.645 -5.481 1.00 0.40 N ATOM 882 CA ASP A 111 5.348 0.552 -6.066 1.00 0.42 C ATOM 883 C ASP A 111 6.524 1.137 -6.856 1.00 0.43 C ATOM 884 O ASP A 111 7.659 0.743 -6.675 1.00 0.42 O ATOM 885 CB ASP A 111 4.477 -0.292 -6.998 1.00 0.50 C ATOM 886 CG ASP A 111 3.150 -0.608 -6.307 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.349 0.301 -6.163 1.00 1.30 O ATOM 888 OD2 ASP A 111 2.958 -1.752 -5.932 1.00 1.19 O ATOM 0 H ASP A 111 3.518 1.576 -5.671 1.00 0.40 H new ATOM 0 HA ASP A 111 5.742 -0.067 -5.260 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.296 0.245 -7.929 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.993 -1.216 -7.258 1.00 0.50 H new ATOM 893 N LEU A 112 6.265 2.064 -7.738 1.00 0.48 N ATOM 894 CA LEU A 112 7.373 2.658 -8.544 1.00 0.52 C ATOM 895 C LEU A 112 8.344 3.405 -7.627 1.00 0.48 C ATOM 896 O LEU A 112 9.544 3.222 -7.701 1.00 0.47 O ATOM 897 CB LEU A 112 6.791 3.632 -9.577 1.00 0.60 C ATOM 898 CG LEU A 112 7.853 3.978 -10.644 1.00 0.70 C ATOM 899 CD1 LEU A 112 7.878 2.906 -11.742 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.517 5.331 -11.283 1.00 1.26 C ATOM 0 H LEU A 112 5.336 2.436 -7.936 1.00 0.48 H new ATOM 0 HA LEU A 112 7.909 1.859 -9.057 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.917 3.188 -10.054 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.455 4.542 -9.080 1.00 0.60 H new ATOM 0 HG LEU A 112 8.829 4.022 -10.160 1.00 0.70 H new ATOM 0 HD11 LEU A 112 8.631 3.165 -12.486 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.120 1.939 -11.301 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.900 2.852 -12.220 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.267 5.574 -12.036 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.535 5.278 -11.753 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.510 6.104 -10.515 1.00 1.26 H new ATOM 912 N TRP A 113 7.846 4.244 -6.763 1.00 0.48 N ATOM 913 CA TRP A 113 8.759 4.990 -5.851 1.00 0.48 C ATOM 914 C TRP A 113 9.693 3.993 -5.165 1.00 0.43 C ATOM 915 O TRP A 113 10.886 4.206 -5.076 1.00 0.45 O ATOM 916 CB TRP A 113 7.929 5.742 -4.802 1.00 0.52 C ATOM 917 CG TRP A 113 8.830 6.486 -3.863 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.361 7.710 -4.094 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.300 6.082 -2.543 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.132 8.076 -3.006 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.126 7.106 -2.024 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.095 4.935 -1.757 1.00 0.51 C ATOM 923 CZ2 TRP A 113 10.728 6.996 -0.769 1.00 0.70 C ATOM 924 CZ3 TRP A 113 9.696 4.821 -0.492 1.00 0.58 C ATOM 925 CH2 TRP A 113 10.511 5.850 0.000 1.00 0.67 C ATOM 0 H TRP A 113 6.853 4.445 -6.648 1.00 0.48 H new ATOM 0 HA TRP A 113 9.349 5.711 -6.417 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.251 6.439 -5.295 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.312 5.038 -4.244 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.207 8.304 -4.983 1.00 0.66 H new ATOM 0 HE1 TRP A 113 10.643 8.956 -2.937 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.471 4.135 -2.128 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 11.357 7.791 -0.396 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.529 3.936 0.104 1.00 0.58 H new ATOM 0 HH2 TRP A 113 10.971 5.757 0.973 1.00 0.67 H new ATOM 936 N ILE A 114 9.165 2.896 -4.697 1.00 0.39 N ATOM 937 CA ILE A 114 10.034 1.886 -4.040 1.00 0.37 C ATOM 938 C ILE A 114 11.088 1.405 -5.046 1.00 0.39 C ATOM 939 O ILE A 114 12.150 0.943 -4.678 1.00 0.44 O ATOM 940 CB ILE A 114 9.189 0.685 -3.586 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.142 1.121 -2.537 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.103 -0.390 -2.999 1.00 0.42 C ATOM 943 CD1 ILE A 114 8.768 1.275 -1.138 1.00 1.00 C ATOM 0 H ILE A 114 8.174 2.658 -4.742 1.00 0.39 H new ATOM 0 HA ILE A 114 10.518 2.335 -3.172 1.00 0.37 H new ATOM 0 HB ILE A 114 8.661 0.280 -4.449 1.00 0.37 H new ATOM 0 HG12 ILE A 114 7.694 2.067 -2.841 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.338 0.386 -2.497 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.503 -1.241 -2.677 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.816 -0.714 -3.757 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.642 0.018 -2.144 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.000 1.583 -0.428 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.193 0.322 -0.823 1.00 1.00 H new ATOM 0 HD13 ILE A 114 9.554 2.029 -1.172 1.00 1.00 H new ATOM 955 N TYR A 115 10.786 1.486 -6.317 1.00 0.40 N ATOM 956 CA TYR A 115 11.751 1.010 -7.353 1.00 0.46 C ATOM 957 C TYR A 115 13.017 1.880 -7.401 1.00 0.51 C ATOM 958 O TYR A 115 14.092 1.433 -7.056 1.00 0.54 O ATOM 959 CB TYR A 115 11.074 1.027 -8.727 1.00 0.53 C ATOM 960 CG TYR A 115 11.883 0.198 -9.701 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.799 -1.200 -9.674 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.719 0.830 -10.631 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.550 -1.964 -10.575 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.470 0.065 -11.531 1.00 0.82 C ATOM 965 CZ TYR A 115 13.385 -1.333 -11.503 1.00 0.77 C ATOM 966 OH TYR A 115 14.124 -2.087 -12.391 1.00 0.87 O ATOM 0 H TYR A 115 9.911 1.862 -6.682 1.00 0.40 H new ATOM 0 HA TYR A 115 12.050 -0.004 -7.087 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.062 0.631 -8.650 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.989 2.052 -9.089 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.155 -1.688 -8.958 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.784 1.908 -10.653 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.485 -3.042 -10.554 1.00 0.65 H new ATOM 0 HE2 TYR A 115 14.115 0.553 -12.247 1.00 0.82 H new ATOM 0 HH TYR A 115 14.649 -1.493 -12.967 1.00 0.87 H new ATOM 976 N HIS A 116 12.918 3.101 -7.863 1.00 0.58 N ATOM 977 CA HIS A 116 14.148 3.953 -7.966 1.00 0.67 C ATOM 978 C HIS A 116 14.769 4.192 -6.589 1.00 0.67 C ATOM 979 O HIS A 116 15.728 4.927 -6.459 1.00 0.81 O ATOM 980 CB HIS A 116 13.809 5.288 -8.638 1.00 0.79 C ATOM 981 CG HIS A 116 13.006 6.161 -7.714 1.00 1.20 C ATOM 982 ND1 HIS A 116 11.701 6.525 -8.000 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.315 6.775 -6.525 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.277 7.326 -7.008 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.221 7.510 -6.081 1.00 2.74 N ATOM 0 H HIS A 116 12.052 3.543 -8.170 1.00 0.58 H new ATOM 0 HA HIS A 116 14.880 3.424 -8.577 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.728 5.801 -8.923 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.247 5.107 -9.554 1.00 0.79 H new ATOM 0 HD2 HIS A 116 14.263 6.699 -6.013 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.292 7.768 -6.965 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.154 8.069 -5.231 1.00 2.74 H new ATOM 993 N THR A 117 14.251 3.571 -5.559 1.00 0.63 N ATOM 994 CA THR A 117 14.833 3.759 -4.193 1.00 0.68 C ATOM 995 C THR A 117 15.720 2.561 -3.842 1.00 0.66 C ATOM 996 O THR A 117 16.916 2.578 -4.057 1.00 0.73 O ATOM 997 CB THR A 117 13.708 3.863 -3.166 1.00 0.80 C ATOM 998 OG1 THR A 117 12.784 2.810 -3.377 1.00 0.85 O ATOM 999 CG2 THR A 117 12.997 5.210 -3.314 1.00 0.91 C ATOM 0 H THR A 117 13.450 2.941 -5.604 1.00 0.63 H new ATOM 0 HA THR A 117 15.427 4.673 -4.181 1.00 0.68 H new ATOM 0 HB THR A 117 14.124 3.788 -2.161 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.107 2.231 -4.098 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.195 5.281 -2.579 1.00 0.91 H new ATOM 0 HG22 THR A 117 13.710 6.018 -3.151 1.00 0.91 H new ATOM 0 HG23 THR A 117 12.579 5.292 -4.317 1.00 0.91 H new ATOM 1007 N GLN A 118 15.144 1.524 -3.293 1.00 0.73 N ATOM 1008 CA GLN A 118 15.958 0.331 -2.916 1.00 0.83 C ATOM 1009 C GLN A 118 16.169 -0.566 -4.141 1.00 0.72 C ATOM 1010 O GLN A 118 16.895 -1.534 -4.087 1.00 0.91 O ATOM 1011 CB GLN A 118 15.225 -0.446 -1.812 1.00 1.06 C ATOM 1012 CG GLN A 118 16.108 -1.599 -1.280 1.00 1.48 C ATOM 1013 CD GLN A 118 15.854 -2.889 -2.073 1.00 2.12 C ATOM 1014 OE1 GLN A 118 16.288 -3.950 -1.674 1.00 2.89 O ATOM 1015 NE2 GLN A 118 15.162 -2.847 -3.178 1.00 2.13 N ATOM 0 H GLN A 118 14.147 1.451 -3.090 1.00 0.73 H new ATOM 0 HA GLN A 118 16.933 0.652 -2.549 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.967 0.228 -0.995 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.290 -0.847 -2.202 1.00 1.06 H new ATOM 0 HG2 GLN A 118 17.160 -1.322 -1.354 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.897 -1.768 -0.224 1.00 1.48 H new ATOM 0 HE21 GLN A 118 14.795 -1.957 -3.517 1.00 2.13 H new ATOM 0 HE22 GLN A 118 14.987 -3.704 -3.703 1.00 2.13 H new ATOM 1024 N GLY A 119 15.560 -0.238 -5.249 1.00 0.86 N ATOM 1025 CA GLY A 119 15.749 -1.062 -6.482 1.00 0.85 C ATOM 1026 C GLY A 119 15.082 -2.434 -6.333 1.00 0.65 C ATOM 1027 O GLY A 119 15.604 -3.433 -6.788 1.00 0.67 O ATOM 0 H GLY A 119 14.940 0.565 -5.355 1.00 0.86 H new ATOM 0 HA2 GLY A 119 15.327 -0.540 -7.341 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.813 -1.190 -6.678 1.00 0.85 H new ATOM 1031 N TYR A 120 13.933 -2.501 -5.715 1.00 0.54 N ATOM 1032 CA TYR A 120 13.252 -3.823 -5.570 1.00 0.44 C ATOM 1033 C TYR A 120 12.611 -4.208 -6.907 1.00 0.49 C ATOM 1034 O TYR A 120 12.804 -3.562 -7.918 1.00 0.70 O ATOM 1035 CB TYR A 120 12.152 -3.732 -4.496 1.00 0.48 C ATOM 1036 CG TYR A 120 12.743 -3.922 -3.115 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.341 -5.140 -2.774 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.689 -2.883 -2.176 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.885 -5.321 -1.496 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.232 -3.063 -0.899 1.00 0.71 C ATOM 1041 CZ TYR A 120 13.831 -4.282 -0.559 1.00 0.75 C ATOM 1042 OH TYR A 120 14.365 -4.460 0.700 1.00 0.91 O ATOM 0 H TYR A 120 13.439 -1.707 -5.308 1.00 0.54 H new ATOM 0 HA TYR A 120 13.985 -4.573 -5.275 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.656 -2.763 -4.556 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.392 -4.491 -4.680 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.383 -5.941 -3.497 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.228 -1.942 -2.438 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.346 -6.262 -1.233 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.189 -2.262 -0.176 1.00 0.71 H new ATOM 0 HH TYR A 120 14.245 -3.641 1.225 1.00 0.91 H new ATOM 1052 N PHE A 121 11.830 -5.253 -6.900 1.00 0.48 N ATOM 1053 CA PHE A 121 11.132 -5.711 -8.138 1.00 0.57 C ATOM 1054 C PHE A 121 9.676 -6.002 -7.762 1.00 0.55 C ATOM 1055 O PHE A 121 9.305 -7.135 -7.533 1.00 0.59 O ATOM 1056 CB PHE A 121 11.789 -6.993 -8.646 1.00 0.68 C ATOM 1057 CG PHE A 121 12.026 -7.920 -7.482 1.00 1.42 C ATOM 1058 CD1 PHE A 121 13.073 -7.663 -6.590 1.00 2.33 C ATOM 1059 CD2 PHE A 121 11.200 -9.034 -7.290 1.00 2.32 C ATOM 1060 CE1 PHE A 121 13.297 -8.521 -5.507 1.00 3.43 C ATOM 1061 CE2 PHE A 121 11.422 -9.892 -6.206 1.00 3.44 C ATOM 1062 CZ PHE A 121 12.472 -9.636 -5.314 1.00 3.85 C ATOM 0 H PHE A 121 11.642 -5.820 -6.073 1.00 0.48 H new ATOM 0 HA PHE A 121 11.188 -4.952 -8.918 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.151 -7.475 -9.387 1.00 0.68 H new ATOM 0 HB3 PHE A 121 12.732 -6.762 -9.141 1.00 0.68 H new ATOM 0 HD1 PHE A 121 13.709 -6.802 -6.737 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.391 -9.232 -7.978 1.00 2.32 H new ATOM 0 HE1 PHE A 121 14.106 -8.323 -4.820 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.784 -10.751 -6.057 1.00 3.44 H new ATOM 0 HZ PHE A 121 12.645 -10.298 -4.478 1.00 3.85 H new ATOM 1072 N PRO A 122 8.867 -4.979 -7.658 1.00 0.64 N ATOM 1073 CA PRO A 122 7.439 -5.114 -7.255 1.00 0.67 C ATOM 1074 C PRO A 122 6.747 -6.342 -7.848 1.00 0.73 C ATOM 1075 O PRO A 122 6.333 -6.362 -8.990 1.00 1.19 O ATOM 1076 CB PRO A 122 6.815 -3.818 -7.763 1.00 0.80 C ATOM 1077 CG PRO A 122 7.910 -2.812 -7.622 1.00 1.05 C ATOM 1078 CD PRO A 122 9.215 -3.568 -7.920 1.00 0.87 C ATOM 0 HA PRO A 122 7.334 -5.263 -6.180 1.00 0.67 H new ATOM 0 HB2 PRO A 122 6.489 -3.911 -8.799 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.939 -3.540 -7.177 1.00 0.80 H new ATOM 0 HG2 PRO A 122 7.771 -1.983 -8.316 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.924 -2.388 -6.618 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.538 -3.419 -8.950 1.00 0.87 H new ATOM 0 HD3 PRO A 122 10.029 -3.230 -7.279 1.00 0.87 H new ATOM 1086 N ASP A 123 6.611 -7.359 -7.047 1.00 0.56 N ATOM 1087 CA ASP A 123 5.937 -8.609 -7.488 1.00 0.64 C ATOM 1088 C ASP A 123 5.356 -9.271 -6.240 1.00 0.58 C ATOM 1089 O ASP A 123 5.069 -10.451 -6.209 1.00 0.65 O ATOM 1090 CB ASP A 123 6.954 -9.544 -8.145 1.00 0.74 C ATOM 1091 CG ASP A 123 8.019 -9.941 -7.121 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.480 -9.067 -6.406 1.00 1.27 O ATOM 1093 OD2 ASP A 123 8.356 -11.113 -7.069 1.00 1.38 O ATOM 0 H ASP A 123 6.946 -7.376 -6.084 1.00 0.56 H new ATOM 0 HA ASP A 123 5.154 -8.392 -8.214 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.452 -10.433 -8.527 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.420 -9.050 -8.997 1.00 0.74 H new ATOM 1098 N TRP A 124 5.202 -8.489 -5.201 1.00 0.53 N ATOM 1099 CA TRP A 124 4.661 -9.000 -3.907 1.00 0.52 C ATOM 1100 C TRP A 124 3.418 -8.205 -3.539 1.00 0.51 C ATOM 1101 O TRP A 124 2.598 -8.622 -2.745 1.00 0.55 O ATOM 1102 CB TRP A 124 5.722 -8.781 -2.831 1.00 0.49 C ATOM 1103 CG TRP A 124 6.171 -7.354 -2.901 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.206 -6.894 -3.647 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.605 -6.190 -2.231 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.313 -5.527 -3.469 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.349 -5.045 -2.605 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.530 -6.018 -1.341 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 6.038 -3.777 -2.116 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.213 -4.741 -0.846 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.966 -3.624 -1.233 1.00 0.55 C ATOM 0 H TRP A 124 5.434 -7.496 -5.197 1.00 0.53 H new ATOM 0 HA TRP A 124 4.410 -10.057 -3.991 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.315 -9.004 -1.845 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.566 -9.453 -2.987 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.843 -7.497 -4.277 1.00 0.44 H new ATOM 0 HE1 TRP A 124 8.018 -4.945 -3.921 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.944 -6.872 -1.036 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.621 -2.919 -2.417 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.385 -4.620 -0.164 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.718 -2.646 -0.849 1.00 0.55 H new ATOM 1122 N GLN A 125 3.290 -7.058 -4.115 1.00 0.53 N ATOM 1123 CA GLN A 125 2.119 -6.188 -3.827 1.00 0.60 C ATOM 1124 C GLN A 125 0.887 -6.761 -4.527 1.00 0.66 C ATOM 1125 O GLN A 125 0.693 -6.577 -5.712 1.00 0.84 O ATOM 1126 CB GLN A 125 2.406 -4.773 -4.345 1.00 0.69 C ATOM 1127 CG GLN A 125 1.276 -3.826 -3.934 1.00 1.56 C ATOM 1128 CD GLN A 125 1.269 -3.664 -2.413 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.533 -4.338 -1.721 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.067 -2.791 -1.860 1.00 2.82 N ATOM 0 H GLN A 125 3.955 -6.673 -4.786 1.00 0.53 H new ATOM 0 HA GLN A 125 1.936 -6.147 -2.753 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.355 -4.416 -3.945 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.503 -4.787 -5.431 1.00 0.69 H new ATOM 0 HG2 GLN A 125 1.409 -2.856 -4.412 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.317 -4.219 -4.272 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.685 -2.225 -2.441 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.072 -2.675 -0.847 1.00 2.82 H new ATOM 1139 N ASN A 126 0.054 -7.464 -3.803 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.164 -8.061 -4.424 1.00 0.72 C ATOM 1141 C ASN A 126 -2.321 -8.019 -3.414 1.00 0.69 C ATOM 1142 O ASN A 126 -2.148 -7.655 -2.267 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.858 -9.513 -4.827 1.00 0.84 C ATOM 1144 CG ASN A 126 0.617 -9.639 -5.216 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.441 -10.008 -4.404 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.988 -9.347 -6.431 1.00 0.88 N ATOM 0 H ASN A 126 0.166 -7.650 -2.806 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.451 -7.496 -5.311 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.085 -10.186 -4.000 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.491 -9.810 -5.663 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.969 -9.429 -6.698 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.297 -9.037 -7.115 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.499 -8.388 -3.833 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.670 -8.357 -2.907 1.00 0.61 C ATOM 1155 C TYR A 127 -5.781 -9.237 -3.482 1.00 0.63 C ATOM 1156 O TYR A 127 -5.712 -9.677 -4.612 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.205 -6.921 -2.798 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.187 -6.017 -2.140 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.225 -5.356 -2.915 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.216 -5.826 -0.756 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.293 -4.511 -2.302 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.284 -4.983 -0.141 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.322 -4.324 -0.915 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.403 -3.491 -0.310 1.00 1.48 O ATOM 0 H TYR A 127 -3.704 -8.711 -4.779 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.362 -8.716 -1.925 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.447 -6.542 -3.791 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.130 -6.915 -2.221 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.203 -5.499 -3.985 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.961 -6.331 -0.159 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.551 -4.003 -2.900 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -3.307 -4.841 0.929 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.612 -3.407 -0.882 1.00 1.48 H new ATOM 1174 N THR A 128 -6.807 -9.499 -2.719 1.00 0.62 N ATOM 1175 CA THR A 128 -7.910 -10.352 -3.244 1.00 0.68 C ATOM 1176 C THR A 128 -8.570 -9.636 -4.435 1.00 0.75 C ATOM 1177 O THR A 128 -8.714 -8.430 -4.421 1.00 0.97 O ATOM 1178 CB THR A 128 -8.951 -10.579 -2.143 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.376 -9.323 -1.631 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.331 -11.410 -1.019 1.00 0.90 C ATOM 0 H THR A 128 -6.929 -9.163 -1.764 1.00 0.62 H new ATOM 0 HA THR A 128 -7.512 -11.315 -3.565 1.00 0.68 H new ATOM 0 HB THR A 128 -9.808 -11.112 -2.554 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.043 -9.465 -0.928 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.071 -11.572 -0.235 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.005 -12.372 -1.415 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.474 -10.879 -0.604 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.042 -4.909 1.208 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.956 -5.481 0.361 1.00 0.49 C ATOM 1251 C ARG A 134 -7.845 -6.020 1.273 1.00 0.40 C ATOM 1252 O ARG A 134 -7.018 -5.276 1.767 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.409 -4.368 -0.571 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.630 -4.736 -2.050 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.187 -3.577 -2.966 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.137 -3.458 -4.117 1.00 1.86 N ATOM 1257 CZ ARG A 134 -9.494 -4.507 -4.808 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.898 -5.653 -4.626 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -10.415 -4.397 -5.725 1.00 3.36 N ATOM 0 HA ARG A 134 -9.336 -6.299 -0.251 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.906 -3.424 -0.348 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.346 -4.220 -0.383 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.067 -5.637 -2.295 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.683 -4.961 -2.222 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.162 -2.644 -2.403 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.176 -3.755 -3.332 1.00 1.37 H new ATOM 0 HE ARG A 134 -9.512 -2.542 -4.366 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.147 -5.734 -3.940 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -9.183 -6.468 -5.170 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.854 -3.493 -5.901 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -10.696 -5.215 -6.266 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.822 -7.309 1.498 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.769 -7.899 2.375 1.00 0.39 C ATOM 1275 C TYR A 135 -5.522 -8.202 1.531 1.00 0.36 C ATOM 1276 O TYR A 135 -5.635 -8.556 0.373 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.286 -9.205 2.984 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.359 -8.903 4.002 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.667 -8.633 3.583 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.046 -8.895 5.368 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.663 -8.356 4.527 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.042 -8.616 6.312 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.350 -8.347 5.891 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.332 -8.073 6.822 1.00 1.17 O ATOM 0 H TYR A 135 -8.488 -7.978 1.111 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.520 -7.195 3.169 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.685 -9.849 2.201 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.466 -9.747 3.456 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.908 -8.638 2.530 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.037 -9.104 5.692 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.672 -8.149 4.203 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.801 -8.608 7.365 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.948 -8.108 7.723 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.340 -8.082 2.094 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.078 -8.370 1.352 1.00 0.38 C ATOM 1296 C PRO A 136 -2.870 -9.877 1.168 1.00 0.37 C ATOM 1297 O PRO A 136 -2.776 -10.619 2.125 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.989 -7.770 2.252 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.553 -7.858 3.634 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.066 -7.667 3.485 1.00 0.44 C ATOM 0 HA PRO A 136 -3.077 -7.953 0.345 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.055 -8.326 2.169 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.772 -6.738 1.977 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.324 -8.822 4.088 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.125 -7.092 4.280 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.618 -8.277 4.200 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.357 -6.631 3.658 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.800 -10.335 -0.051 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.606 -11.796 -0.279 1.00 0.43 C ATOM 1310 C LEU A 137 -1.255 -12.226 0.301 1.00 0.41 C ATOM 1311 O LEU A 137 -1.167 -13.173 1.057 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.634 -12.086 -1.786 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.089 -12.140 -2.296 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.108 -11.909 -3.811 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.719 -13.510 -1.997 1.00 0.92 C ATOM 0 H LEU A 137 -2.868 -9.766 -0.895 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.405 -12.352 0.212 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.083 -11.313 -2.322 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.135 -13.033 -1.990 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.661 -11.365 -1.787 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.136 -11.947 -4.172 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.681 -10.932 -4.035 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.521 -12.684 -4.305 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.745 -13.527 -2.365 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.143 -14.291 -2.493 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.716 -13.685 -0.921 1.00 0.92 H new ATOM 1327 N THR A 138 -0.203 -11.542 -0.051 1.00 0.50 N ATOM 1328 CA THR A 138 1.141 -11.915 0.473 1.00 0.55 C ATOM 1329 C THR A 138 1.187 -11.700 1.987 1.00 0.47 C ATOM 1330 O THR A 138 0.445 -10.913 2.539 1.00 0.50 O ATOM 1331 CB THR A 138 2.213 -11.050 -0.204 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.724 -9.723 -0.344 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.540 -11.624 -1.582 1.00 1.04 C ATOM 0 H THR A 138 -0.215 -10.739 -0.680 1.00 0.50 H new ATOM 0 HA THR A 138 1.332 -12.966 0.256 1.00 0.55 H new ATOM 0 HB THR A 138 3.116 -11.044 0.406 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.026 -9.352 -1.199 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.301 -11.009 -2.061 1.00 1.04 H new ATOM 0 HG22 THR A 138 2.913 -12.643 -1.473 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.640 -11.631 -2.196 1.00 1.04 H new ATOM 1341 N PHE A 139 2.060 -12.403 2.655 1.00 0.51 N ATOM 1342 CA PHE A 139 2.177 -12.261 4.139 1.00 0.49 C ATOM 1343 C PHE A 139 3.316 -11.294 4.475 1.00 0.65 C ATOM 1344 O PHE A 139 4.211 -11.072 3.685 1.00 1.43 O ATOM 1345 CB PHE A 139 2.480 -13.630 4.754 1.00 0.52 C ATOM 1346 CG PHE A 139 2.398 -13.545 6.261 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.156 -13.616 6.900 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.568 -13.401 7.019 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.081 -13.544 8.298 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.493 -13.329 8.416 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.249 -13.401 9.056 1.00 0.66 C ATOM 0 H PHE A 139 2.703 -13.075 2.236 1.00 0.51 H new ATOM 0 HA PHE A 139 1.241 -11.873 4.541 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.771 -14.370 4.383 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.474 -13.962 4.453 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.254 -13.726 6.316 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.527 -13.346 6.526 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.121 -13.599 8.790 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.395 -13.218 9.000 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.191 -13.346 10.133 1.00 0.66 H new ATOM 1361 N GLY A 140 3.292 -10.722 5.650 1.00 0.46 N ATOM 1362 CA GLY A 140 4.373 -9.775 6.057 1.00 0.43 C ATOM 1363 C GLY A 140 3.934 -8.336 5.783 1.00 0.35 C ATOM 1364 O GLY A 140 4.223 -7.433 6.544 1.00 0.32 O ATOM 0 H GLY A 140 2.565 -10.871 6.350 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.599 -9.900 7.116 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.288 -9.996 5.508 1.00 0.43 H new ATOM 1368 N TRP A 141 3.236 -8.115 4.704 1.00 0.34 N ATOM 1369 CA TRP A 141 2.775 -6.731 4.382 1.00 0.29 C ATOM 1370 C TRP A 141 1.611 -6.380 5.306 1.00 0.32 C ATOM 1371 O TRP A 141 0.486 -6.785 5.095 1.00 0.40 O ATOM 1372 CB TRP A 141 2.351 -6.680 2.910 1.00 0.33 C ATOM 1373 CG TRP A 141 2.119 -5.271 2.436 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.994 -4.870 1.798 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.989 -4.087 2.506 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.108 -3.533 1.471 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.312 -3.003 1.884 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.276 -3.836 3.036 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.883 -1.733 1.789 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.849 -2.554 2.939 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.155 -1.507 2.318 1.00 0.33 C ATOM 0 H TRP A 141 2.964 -8.831 4.030 1.00 0.34 H new ATOM 0 HA TRP A 141 3.574 -6.005 4.535 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.121 -7.147 2.295 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.439 -7.262 2.775 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.142 -5.497 1.579 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.388 -3.001 0.982 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.823 -4.633 3.518 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.344 -0.930 1.309 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.833 -2.376 3.347 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.603 -0.527 2.249 1.00 0.33 H new ATOM 1392 N CYS A 142 1.895 -5.659 6.357 1.00 0.31 N ATOM 1393 CA CYS A 142 0.839 -5.305 7.340 1.00 0.40 C ATOM 1394 C CYS A 142 0.039 -4.089 6.895 1.00 0.39 C ATOM 1395 O CYS A 142 -0.172 -3.166 7.657 1.00 0.48 O ATOM 1396 CB CYS A 142 1.498 -5.021 8.677 1.00 0.47 C ATOM 1397 SG CYS A 142 2.773 -6.266 8.995 1.00 1.45 S ATOM 0 H CYS A 142 2.824 -5.298 6.576 1.00 0.31 H new ATOM 0 HA CYS A 142 0.146 -6.142 7.422 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.940 -4.025 8.673 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.753 -5.036 9.473 1.00 0.47 H new ATOM 0 HG CYS A 142 3.430 -6.504 7.899 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.425 -4.093 5.682 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.244 -2.951 5.173 1.00 0.40 C ATOM 1405 C TYR A 143 -2.580 -3.506 4.670 1.00 0.43 C ATOM 1406 O TYR A 143 -2.620 -4.434 3.885 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.477 -2.254 4.032 1.00 0.55 C ATOM 1408 CG TYR A 143 0.257 -1.042 4.569 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.474 0.064 5.010 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.656 -1.022 4.620 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.190 1.192 5.503 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.323 0.107 5.112 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.588 1.214 5.552 1.00 3.52 C ATOM 1414 OH TYR A 143 2.243 2.329 6.037 1.00 4.57 O ATOM 0 H TYR A 143 -0.273 -4.845 5.009 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.431 -2.221 5.961 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.232 -2.949 3.581 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.171 -1.952 3.247 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.553 0.048 4.970 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.221 -1.877 4.280 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.376 2.045 5.846 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.402 0.123 5.152 1.00 3.14 H new ATOM 0 HH TYR A 143 3.211 2.180 6.004 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.674 -2.949 5.129 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.026 -3.439 4.700 1.00 0.51 C ATOM 1426 C LYS A 144 -5.863 -2.255 4.219 1.00 0.43 C ATOM 1427 O LYS A 144 -6.182 -1.361 4.978 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.740 -4.090 5.891 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.866 -5.195 6.495 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.376 -5.542 7.900 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.842 -5.975 7.824 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.229 -6.648 9.097 1.00 2.32 N ATOM 0 H LYS A 144 -3.691 -2.170 5.787 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.905 -4.166 3.897 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.961 -3.337 6.648 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.694 -4.507 5.568 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.890 -6.080 5.859 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.828 -4.866 6.545 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.772 -6.342 8.329 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.275 -4.678 8.558 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.480 -5.108 7.650 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -6.989 -6.653 6.983 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -8.225 -6.942 9.045 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.628 -7.484 9.244 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.104 -5.988 9.891 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.228 -2.241 2.967 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.051 -1.111 2.452 1.00 0.37 C ATOM 1448 C LEU A 145 -8.497 -1.296 2.914 1.00 0.38 C ATOM 1449 O LEU A 145 -9.006 -2.400 2.958 1.00 0.41 O ATOM 1450 CB LEU A 145 -6.991 -1.084 0.918 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.640 -0.495 0.450 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.283 -1.051 -0.933 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.731 1.041 0.369 1.00 0.52 C ATOM 0 H LEU A 145 -5.994 -2.959 2.281 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.663 -0.168 2.837 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.113 -2.093 0.524 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.813 -0.486 0.524 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.869 -0.774 1.168 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.330 -0.633 -1.258 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.203 -2.137 -0.879 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.061 -0.779 -1.646 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.774 1.445 0.039 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.509 1.322 -0.341 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.975 1.443 1.352 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.162 -0.222 3.256 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.575 -0.318 3.728 1.00 0.50 C ATOM 1467 C VAL A 146 -11.274 1.030 3.461 1.00 0.59 C ATOM 1468 O VAL A 146 -10.738 2.069 3.788 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.595 -0.564 5.246 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.036 -0.789 5.709 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.759 -1.794 5.612 1.00 0.56 C ATOM 0 H VAL A 146 -8.783 0.724 3.228 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.078 -1.133 3.207 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.171 0.311 5.739 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.049 -0.963 6.785 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.635 0.092 5.477 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.452 -1.656 5.196 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.789 -1.947 6.691 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.165 -2.672 5.110 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.727 -1.640 5.296 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.460 1.034 2.884 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.198 2.302 2.602 1.00 0.81 C ATOM 1483 C PRO A 147 -13.878 2.856 3.859 1.00 0.91 C ATOM 1484 O PRO A 147 -14.571 2.148 4.563 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.245 1.875 1.568 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.545 0.453 1.913 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.230 -0.144 2.431 1.00 0.75 C ATOM 0 HA PRO A 147 -12.540 3.098 2.255 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.139 2.496 1.627 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -13.861 1.965 0.552 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.326 0.392 2.671 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.904 -0.093 1.040 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.404 -0.846 3.247 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.703 -0.689 1.648 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.056 4.461 -1.102 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.691 3.562 0.046 1.00 0.52 C ATOM 1782 C LEU A 181 -8.474 4.122 0.785 1.00 0.47 C ATOM 1783 O LEU A 181 -7.693 4.852 0.226 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.339 2.174 -0.508 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.556 1.571 -1.247 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.079 0.610 -2.342 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.438 0.802 -0.254 1.00 0.87 C ATOM 0 HA LEU A 181 -10.532 3.497 0.736 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.492 2.250 -1.189 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.035 1.516 0.306 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.130 2.381 -1.697 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.942 0.189 -2.858 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.458 1.151 -3.056 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.498 -0.195 -1.892 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.294 0.379 -0.780 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -10.858 -0.001 0.201 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.789 1.481 0.523 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.308 3.775 2.042 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.130 4.270 2.831 1.00 0.45 C ATOM 1801 C GLU A 182 -6.273 3.096 3.300 1.00 0.42 C ATOM 1802 O GLU A 182 -6.764 2.037 3.634 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.622 5.051 4.051 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.657 4.218 4.811 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.087 4.968 6.073 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.105 6.187 6.036 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.391 4.310 7.054 1.00 1.62 O ATOM 0 H GLU A 182 -8.942 3.166 2.559 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.529 4.918 2.193 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.783 5.291 4.704 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.062 5.997 3.736 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.522 4.026 4.176 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.235 3.249 5.077 1.00 0.56 H new ATOM 1814 N TRP A 183 -4.982 3.297 3.329 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.056 2.221 3.776 1.00 0.38 C ATOM 1816 C TRP A 183 -4.162 2.082 5.298 1.00 0.37 C ATOM 1817 O TRP A 183 -3.803 2.978 6.036 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.617 2.611 3.393 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.327 2.229 1.975 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.151 0.965 1.525 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.159 3.101 0.823 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.885 1.007 0.167 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.878 2.303 -0.311 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.223 4.494 0.657 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.665 2.872 -1.569 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.007 5.070 -0.605 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.728 4.261 -1.715 1.00 0.41 C ATOM 0 H TRP A 183 -4.528 4.169 3.059 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.316 1.275 3.301 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.479 3.685 3.522 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.911 2.117 4.060 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.209 0.070 2.127 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.715 0.183 -0.409 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.440 5.126 1.505 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.453 2.244 -2.422 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.056 6.143 -0.721 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.562 4.710 -2.683 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.653 0.969 5.775 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.781 0.779 7.253 1.00 0.35 C ATOM 1840 C ARG A 184 -3.537 0.060 7.782 1.00 0.31 C ATOM 1841 O ARG A 184 -3.397 -1.141 7.658 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.031 -0.060 7.554 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.437 0.127 9.019 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.520 -0.889 9.386 1.00 1.51 C ATOM 1845 NE ARG A 184 -7.986 -0.633 10.777 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.091 -1.179 11.208 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -9.790 -1.948 10.419 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.499 -0.952 12.427 1.00 2.61 N ATOM 0 H ARG A 184 -4.971 0.183 5.208 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.873 1.750 7.741 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.849 0.240 6.899 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.831 -1.113 7.353 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.570 -0.001 9.666 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.806 1.140 9.178 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.356 -0.813 8.691 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.127 -1.902 9.303 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.441 -0.030 11.394 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -9.473 -2.123 9.465 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -10.653 -2.374 10.756 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.955 -0.348 13.043 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -10.362 -1.379 12.764 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.637 0.793 8.371 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.392 0.171 8.914 1.00 0.31 C ATOM 1864 C PHE A 185 -1.744 -0.728 10.108 1.00 0.31 C ATOM 1865 O PHE A 185 -2.491 -0.344 10.985 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.453 1.296 9.360 1.00 0.40 C ATOM 1867 CG PHE A 185 0.839 0.738 9.912 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.887 0.229 11.215 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.998 0.754 9.126 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.092 -0.268 11.729 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.202 0.262 9.639 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.251 -0.249 10.941 1.00 0.71 C ATOM 0 H PHE A 185 -2.707 1.802 8.502 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.907 -0.439 8.152 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.239 1.951 8.516 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.944 1.905 10.119 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.005 0.219 11.824 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.962 1.147 8.121 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.128 -0.666 12.732 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.094 0.276 9.031 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.181 -0.628 11.338 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.224 -1.930 10.138 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.539 -2.859 11.260 1.00 0.32 C ATOM 1884 C ASP A 186 -0.380 -3.848 11.454 1.00 0.30 C ATOM 1885 O ASP A 186 -0.554 -5.045 11.336 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.808 -3.627 10.892 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.442 -4.230 12.149 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.473 -3.546 13.159 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.885 -5.364 12.080 1.00 1.23 O ATOM 0 H ASP A 186 -0.593 -2.306 9.430 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.684 -2.301 12.185 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.517 -2.960 10.402 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.570 -4.418 10.180 1.00 0.37 H new ATOM 1894 N SER A 187 0.796 -3.345 11.747 1.00 0.33 N ATOM 1895 CA SER A 187 1.993 -4.229 11.949 1.00 0.34 C ATOM 1896 C SER A 187 1.612 -5.507 12.705 1.00 0.35 C ATOM 1897 O SER A 187 2.316 -6.497 12.648 1.00 0.37 O ATOM 1898 CB SER A 187 3.040 -3.472 12.762 1.00 0.40 C ATOM 1899 OG SER A 187 2.479 -3.091 14.012 1.00 1.32 O ATOM 0 H SER A 187 0.981 -2.348 11.856 1.00 0.33 H new ATOM 0 HA SER A 187 2.388 -4.504 10.971 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.917 -4.099 12.920 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.373 -2.590 12.216 1.00 0.40 H new ATOM 0 HG SER A 187 3.149 -2.606 14.537 1.00 1.32 H new ATOM 1905 N ARG A 188 0.516 -5.506 13.412 1.00 0.40 N ATOM 1906 CA ARG A 188 0.124 -6.735 14.159 1.00 0.46 C ATOM 1907 C ARG A 188 -0.072 -7.873 13.155 1.00 0.42 C ATOM 1908 O ARG A 188 0.019 -9.037 13.490 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.186 -6.477 14.920 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.357 -7.511 16.052 1.00 1.40 C ATOM 1911 CD ARG A 188 -0.655 -7.022 17.325 1.00 1.75 C ATOM 1912 NE ARG A 188 -1.474 -5.953 17.960 1.00 2.37 N ATOM 1913 CZ ARG A 188 -1.230 -5.582 19.187 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -0.263 -6.144 19.859 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -1.953 -4.648 19.741 1.00 3.87 N ATOM 0 H ARG A 188 -0.121 -4.715 13.505 1.00 0.40 H new ATOM 0 HA ARG A 188 0.900 -7.004 14.875 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.181 -5.469 15.336 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.031 -6.535 14.234 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -2.417 -7.672 16.251 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.941 -8.470 15.744 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -0.517 -7.851 18.019 1.00 1.75 H new ATOM 0 HD3 ARG A 188 0.337 -6.641 17.083 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.228 -5.510 17.435 1.00 2.37 H new ATOM 0 HH11 ARG A 188 0.303 -6.874 19.425 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.073 -5.854 20.818 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.708 -4.208 19.215 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -1.763 -4.357 20.700 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.321 -7.536 11.922 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.505 -8.579 10.879 1.00 0.46 C ATOM 1931 C LEU A 189 0.797 -9.382 10.765 1.00 0.41 C ATOM 1932 O LEU A 189 0.885 -10.346 10.029 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.825 -7.885 9.536 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.935 -8.627 8.780 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.348 -7.809 7.554 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -1.417 -9.993 8.326 1.00 1.78 C ATOM 0 H LEU A 189 -0.405 -6.575 11.590 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.324 -9.250 11.138 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.132 -6.855 9.720 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.074 -7.845 8.921 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.795 -8.763 9.436 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.137 -8.334 7.015 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.715 -6.834 7.874 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -1.487 -7.676 6.899 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -2.205 -10.521 7.789 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.558 -9.856 7.669 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -1.118 -10.576 9.197 1.00 1.78 H new ATOM 1948 N ALA A 190 1.808 -8.982 11.487 1.00 0.37 N ATOM 1949 CA ALA A 190 3.106 -9.707 11.421 1.00 0.42 C ATOM 1950 C ALA A 190 2.968 -11.034 12.162 1.00 0.44 C ATOM 1951 O ALA A 190 3.891 -11.823 12.224 1.00 0.53 O ATOM 1952 CB ALA A 190 4.197 -8.862 12.081 1.00 0.47 C ATOM 0 H ALA A 190 1.790 -8.183 12.120 1.00 0.37 H new ATOM 0 HA ALA A 190 3.376 -9.891 10.381 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.148 -9.393 12.033 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.286 -7.910 11.558 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.936 -8.680 13.123 1.00 0.47 H new ATOM 1958 N PHE A 191 1.813 -11.287 12.722 1.00 0.42 N ATOM 1959 CA PHE A 191 1.589 -12.568 13.464 1.00 0.51 C ATOM 1960 C PHE A 191 0.212 -13.128 13.101 1.00 0.56 C ATOM 1961 O PHE A 191 0.052 -14.311 12.876 1.00 0.96 O ATOM 1962 CB PHE A 191 1.657 -12.303 14.970 1.00 0.58 C ATOM 1963 CG PHE A 191 3.018 -11.749 15.322 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.067 -12.620 15.640 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.234 -10.365 15.328 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.330 -12.108 15.966 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.496 -9.853 15.653 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.544 -10.725 15.972 1.00 3.15 C ATOM 0 H PHE A 191 1.010 -10.659 12.698 1.00 0.42 H new ATOM 0 HA PHE A 191 2.358 -13.290 13.190 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.879 -11.598 15.262 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.474 -13.225 15.521 1.00 0.58 H new ATOM 0 HD1 PHE A 191 3.903 -13.687 15.634 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.426 -9.692 15.082 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.138 -12.781 16.213 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.661 -8.786 15.658 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.518 -10.330 16.223 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.784 -12.288 13.038 1.00 0.64 N ATOM 1979 CA HIS A 192 -2.147 -12.774 12.684 1.00 0.72 C ATOM 1980 C HIS A 192 -2.199 -13.091 11.189 1.00 0.67 C ATOM 1981 O HIS A 192 -1.381 -12.630 10.419 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.176 -11.688 13.010 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.097 -11.341 14.470 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.903 -10.371 15.043 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -2.312 -11.825 15.486 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -3.588 -10.301 16.348 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.623 -11.167 16.672 1.00 3.35 N ATOM 0 H HIS A 192 -0.713 -11.286 13.216 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.374 -13.673 13.256 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.988 -10.801 12.404 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -4.179 -12.037 12.762 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -1.566 -12.599 15.381 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.058 -9.627 17.049 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -2.205 -11.314 17.591 1.00 3.35 H new ATOM 1995 N HIS A 193 -3.157 -13.875 10.769 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.267 -14.221 9.320 1.00 0.85 C ATOM 1997 C HIS A 193 -4.743 -14.393 8.959 1.00 0.74 C ATOM 1998 O HIS A 193 -5.232 -15.495 8.799 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.515 -15.524 9.043 1.00 1.28 C ATOM 2000 CG HIS A 193 -3.025 -16.606 9.957 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -3.879 -17.604 9.515 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.808 -16.858 11.288 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -4.143 -18.404 10.565 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.515 -17.993 11.670 1.00 3.87 N ATOM 0 H HIS A 193 -3.870 -14.292 11.368 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.832 -13.423 8.718 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.650 -15.819 8.003 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.446 -15.378 9.197 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.183 -16.265 11.940 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -4.784 -19.272 10.520 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -3.547 -18.420 12.596 1.00 3.87 H new ATOM 2012 N MET A 194 -5.459 -13.309 8.833 1.00 0.73 N ATOM 2013 CA MET A 194 -6.905 -13.403 8.489 1.00 0.79 C ATOM 2014 C MET A 194 -7.060 -13.633 6.983 1.00 0.75 C ATOM 2015 O MET A 194 -7.889 -14.405 6.546 1.00 0.90 O ATOM 2016 CB MET A 194 -7.607 -12.097 8.874 1.00 0.91 C ATOM 2017 CG MET A 194 -7.406 -11.818 10.366 1.00 1.47 C ATOM 2018 SD MET A 194 -7.798 -10.085 10.710 1.00 2.35 S ATOM 2019 CE MET A 194 -8.346 -10.309 12.420 1.00 2.94 C ATOM 0 H MET A 194 -5.103 -12.361 8.954 1.00 0.73 H new ATOM 0 HA MET A 194 -7.352 -14.235 9.034 1.00 0.79 H new ATOM 0 HB2 MET A 194 -7.208 -11.272 8.284 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.671 -12.166 8.648 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.045 -12.472 10.959 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.377 -12.034 10.652 1.00 1.47 H new ATOM 0 HE1 MET A 194 -8.641 -9.346 12.837 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.197 -10.990 12.443 1.00 2.94 H new ATOM 0 HE3 MET A 194 -7.531 -10.726 13.012 1.00 2.94 H new ATOM 2029 N ALA A 195 -6.274 -12.961 6.187 1.00 0.66 N ATOM 2030 CA ALA A 195 -6.383 -13.135 4.711 1.00 0.76 C ATOM 2031 C ALA A 195 -6.326 -14.623 4.363 1.00 0.90 C ATOM 2032 O ALA A 195 -6.927 -15.070 3.406 1.00 1.11 O ATOM 2033 CB ALA A 195 -5.224 -12.409 4.024 1.00 0.82 C ATOM 0 H ALA A 195 -5.561 -12.299 6.495 1.00 0.66 H new ATOM 0 HA ALA A 195 -7.330 -12.718 4.368 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.304 -12.536 2.944 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.264 -11.347 4.268 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -4.278 -12.826 4.370 1.00 0.82 H new