USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=20 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 135 TYR OH : rot 180:sc= 0 USER MOD Set 1.2: A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 117 THR OG1 : rot 8:sc= -2.82! USER MOD Set 2.2: A 118 GLN : amide:sc= -8.89! C(o=-12!,f=-6.9!) USER MOD Set 3.1: A 88 SER OG : rot -93:sc= -0.205! USER MOD Set 3.2: A 89 HIS : no HE2:sc= -3.38! C(o=-5.3!,f=-19!) USER MOD Set 3.3: A 142 CYS SG : rot 113:sc= -1.75 USER MOD Single : A 79 MET CE :methyl -161:sc= 0 (180deg=-0.428) USER MOD Single : A 80 THR OG1 : rot 180:sc= -4.69! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 163:sc= -0.0566 (180deg=-0.446) USER MOD Single : A 92 LYS NZ :NH3+ -171:sc= 0.0486 (180deg=0.034) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 102 HIS : no HE2:sc= -0.937 K(o=-0.94,f=-2.5!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc=-0.000417 K(o=-0.00042,f=-1.5!) 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= -2.25 X(o=-2.3,f=-2) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.36 X(o=-0.36,f=0.022) USER MOD Single : A 126 ASN : amide:sc= -3.04! C(o=-3!,f=-3!) USER MOD Single : A 127 TYR OH : rot 180:sc= 0 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -130:sc= 1.25 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ -148:sc= -0.135 (180deg=-1.1) USER MOD Single : A 187 SER OG : rot 15:sc= 0.581! USER MOD Single : A 192 HIS : no HD1:sc= -1.15 K(o=-1.2,f=-2.6!) USER MOD Single : A 193 HIS : no HD1:sc= -0.683 K(o=-0.68,f=-0.066) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.726 -1.882 -9.002 1.00 1.04 N ATOM 275 CA VAL A 74 19.940 -2.584 -8.482 1.00 0.93 C ATOM 276 C VAL A 74 19.629 -4.092 -8.539 1.00 0.86 C ATOM 277 O VAL A 74 18.477 -4.458 -8.659 1.00 0.89 O ATOM 278 CB VAL A 74 20.202 -2.118 -7.028 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.888 -0.624 -6.908 1.00 1.17 C ATOM 280 CG2 VAL A 74 19.329 -2.905 -6.036 1.00 1.38 C ATOM 0 HA VAL A 74 20.833 -2.364 -9.068 1.00 0.93 H new ATOM 0 HB VAL A 74 21.250 -2.299 -6.789 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.072 -0.295 -5.885 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.526 -0.062 -7.590 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.842 -0.450 -7.163 1.00 1.17 H new ATOM 0 HG21 VAL A 74 19.530 -2.561 -5.022 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.277 -2.746 -6.271 1.00 1.38 H new ATOM 0 HG23 VAL A 74 19.561 -3.967 -6.111 1.00 1.38 H new ATOM 290 N PRO A 75 20.611 -4.968 -8.464 1.00 0.93 N ATOM 291 CA PRO A 75 20.357 -6.438 -8.520 1.00 1.00 C ATOM 292 C PRO A 75 19.061 -6.813 -7.793 1.00 0.88 C ATOM 293 O PRO A 75 18.873 -6.502 -6.633 1.00 0.84 O ATOM 294 CB PRO A 75 21.588 -7.019 -7.838 1.00 1.18 C ATOM 295 CG PRO A 75 22.691 -6.088 -8.234 1.00 1.37 C ATOM 296 CD PRO A 75 22.055 -4.687 -8.318 1.00 1.13 C ATOM 0 HA PRO A 75 20.217 -6.816 -9.533 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.465 -7.056 -6.756 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.786 -8.038 -8.171 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.499 -6.107 -7.502 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.122 -6.379 -9.192 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.260 -4.099 -7.423 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.441 -4.122 -9.166 1.00 1.13 H new ATOM 304 N LEU A 76 18.151 -7.445 -8.484 1.00 0.86 N ATOM 305 CA LEU A 76 16.843 -7.804 -7.857 1.00 0.77 C ATOM 306 C LEU A 76 17.043 -8.801 -6.711 1.00 0.77 C ATOM 307 O LEU A 76 17.141 -9.994 -6.920 1.00 0.85 O ATOM 308 CB LEU A 76 15.922 -8.426 -8.911 1.00 0.84 C ATOM 309 CG LEU A 76 15.637 -7.413 -10.030 1.00 0.87 C ATOM 310 CD1 LEU A 76 14.883 -8.120 -11.162 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.784 -6.243 -9.493 1.00 0.76 C ATOM 0 H LEU A 76 18.256 -7.729 -9.458 1.00 0.86 H new ATOM 0 HA LEU A 76 16.393 -6.896 -7.457 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.386 -9.319 -9.329 1.00 0.84 H new ATOM 0 HB3 LEU A 76 14.987 -8.740 -8.448 1.00 0.84 H new ATOM 0 HG LEU A 76 16.581 -7.014 -10.401 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.676 -7.408 -11.961 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.492 -8.936 -11.551 1.00 1.01 H new ATOM 0 HD13 LEU A 76 13.944 -8.519 -10.780 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.591 -5.534 -10.298 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.837 -6.627 -9.113 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.321 -5.741 -8.688 1.00 0.76 H new ATOM 323 N ARG A 77 17.078 -8.317 -5.498 1.00 0.74 N ATOM 324 CA ARG A 77 17.243 -9.225 -4.324 1.00 0.79 C ATOM 325 C ARG A 77 15.844 -9.750 -3.911 1.00 0.71 C ATOM 326 O ARG A 77 14.972 -8.964 -3.599 1.00 0.73 O ATOM 327 CB ARG A 77 17.879 -8.418 -3.162 1.00 0.85 C ATOM 328 CG ARG A 77 19.126 -9.139 -2.619 1.00 1.19 C ATOM 329 CD ARG A 77 20.284 -9.046 -3.636 1.00 1.52 C ATOM 330 NE ARG A 77 20.992 -10.363 -3.726 1.00 2.13 N ATOM 331 CZ ARG A 77 21.335 -11.025 -2.650 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.175 -10.498 -1.467 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.873 -12.207 -2.763 1.00 3.61 N ATOM 0 H ARG A 77 16.999 -7.326 -5.268 1.00 0.74 H new ATOM 0 HA ARG A 77 17.887 -10.069 -4.569 1.00 0.79 H new ATOM 0 HB2 ARG A 77 18.151 -7.422 -3.511 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.151 -8.287 -2.362 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.428 -8.693 -1.671 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.892 -10.185 -2.419 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.897 -8.764 -4.615 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.984 -8.267 -3.333 1.00 1.52 H new ATOM 0 HE ARG A 77 21.211 -10.751 -4.643 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.780 -9.562 -1.375 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.445 -11.022 -0.635 1.00 2.73 H new ATOM 0 HH21 ARG A 77 22.025 -12.612 -3.687 1.00 3.61 H new ATOM 0 HH22 ARG A 77 22.142 -12.727 -1.928 1.00 3.61 H new ATOM 347 N PRO A 78 15.615 -11.049 -3.900 1.00 0.79 N ATOM 348 CA PRO A 78 14.287 -11.608 -3.509 1.00 0.76 C ATOM 349 C PRO A 78 13.674 -10.878 -2.304 1.00 0.67 C ATOM 350 O PRO A 78 14.309 -10.702 -1.284 1.00 0.69 O ATOM 351 CB PRO A 78 14.607 -13.063 -3.162 1.00 0.86 C ATOM 352 CG PRO A 78 15.753 -13.417 -4.056 1.00 1.18 C ATOM 353 CD PRO A 78 16.564 -12.127 -4.250 1.00 1.06 C ATOM 0 HA PRO A 78 13.547 -11.500 -4.302 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.875 -13.171 -2.111 1.00 0.86 H new ATOM 0 HB3 PRO A 78 13.749 -13.712 -3.340 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.367 -14.199 -3.609 1.00 1.18 H new ATOM 0 HG3 PRO A 78 15.396 -13.799 -5.012 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.444 -12.108 -3.606 1.00 1.06 H new ATOM 0 HD3 PRO A 78 16.918 -12.029 -5.276 1.00 1.06 H new ATOM 361 N MET A 79 12.442 -10.456 -2.419 1.00 0.65 N ATOM 362 CA MET A 79 11.784 -9.743 -1.287 1.00 0.61 C ATOM 363 C MET A 79 11.585 -10.713 -0.120 1.00 0.51 C ATOM 364 O MET A 79 10.936 -11.731 -0.252 1.00 0.56 O ATOM 365 CB MET A 79 10.425 -9.205 -1.746 1.00 0.66 C ATOM 366 CG MET A 79 9.776 -8.407 -0.612 1.00 0.74 C ATOM 367 SD MET A 79 8.265 -7.614 -1.227 1.00 1.25 S ATOM 368 CE MET A 79 8.570 -5.947 -0.584 1.00 0.83 C ATOM 0 H MET A 79 11.863 -10.575 -3.250 1.00 0.65 H new ATOM 0 HA MET A 79 12.412 -8.913 -0.964 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.552 -8.571 -2.624 1.00 0.66 H new ATOM 0 HB3 MET A 79 9.777 -10.030 -2.040 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.540 -9.066 0.224 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.470 -7.654 -0.238 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.633 -5.392 -0.553 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.985 -6.015 0.422 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.277 -5.430 -1.233 1.00 0.83 H new ATOM 378 N THR A 80 12.145 -10.408 1.020 1.00 0.56 N ATOM 379 CA THR A 80 11.997 -11.313 2.195 1.00 0.60 C ATOM 380 C THR A 80 10.724 -10.980 2.954 1.00 0.56 C ATOM 381 O THR A 80 10.410 -9.833 3.187 1.00 0.50 O ATOM 382 CB THR A 80 13.212 -11.159 3.115 1.00 0.77 C ATOM 383 OG1 THR A 80 13.122 -9.938 3.826 1.00 0.94 O ATOM 384 CG2 THR A 80 14.488 -11.166 2.275 1.00 0.73 C ATOM 0 H THR A 80 12.700 -9.569 1.188 1.00 0.56 H new ATOM 0 HA THR A 80 11.936 -12.344 1.848 1.00 0.60 H new ATOM 0 HB THR A 80 13.236 -11.987 3.824 1.00 0.77 H new ATOM 0 HG1 THR A 80 13.900 -9.844 4.415 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.354 -11.056 2.928 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.560 -12.108 1.731 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.461 -10.339 1.566 1.00 0.73 H new ATOM 392 N TYR A 81 9.990 -11.982 3.369 1.00 0.61 N ATOM 393 CA TYR A 81 8.753 -11.711 4.149 1.00 0.60 C ATOM 394 C TYR A 81 9.171 -10.760 5.268 1.00 0.51 C ATOM 395 O TYR A 81 8.513 -9.785 5.574 1.00 0.45 O ATOM 396 CB TYR A 81 8.198 -13.059 4.690 1.00 0.69 C ATOM 397 CG TYR A 81 8.194 -13.107 6.207 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.206 -12.427 6.927 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.182 -13.833 6.887 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.204 -12.471 8.326 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.179 -13.877 8.286 1.00 0.77 C ATOM 402 CZ TYR A 81 8.191 -13.198 9.005 1.00 0.73 C ATOM 403 OH TYR A 81 8.188 -13.243 10.384 1.00 0.90 O ATOM 0 H TYR A 81 10.195 -12.967 3.201 1.00 0.61 H new ATOM 0 HA TYR A 81 7.957 -11.258 3.558 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.183 -13.207 4.320 1.00 0.69 H new ATOM 0 HB3 TYR A 81 8.801 -13.880 4.303 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.445 -11.868 6.403 1.00 0.59 H new ATOM 0 HD2 TYR A 81 9.945 -14.358 6.332 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.442 -11.945 8.882 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.940 -14.436 8.810 1.00 0.77 H new ATOM 0 HH TYR A 81 8.939 -13.790 10.695 1.00 0.90 H new ATOM 413 N LYS A 82 10.309 -11.037 5.830 1.00 0.52 N ATOM 414 CA LYS A 82 10.860 -10.160 6.884 1.00 0.48 C ATOM 415 C LYS A 82 11.113 -8.775 6.284 1.00 0.40 C ATOM 416 O LYS A 82 10.985 -7.772 6.956 1.00 0.38 O ATOM 417 CB LYS A 82 12.179 -10.744 7.395 1.00 0.55 C ATOM 418 CG LYS A 82 12.601 -10.021 8.676 1.00 0.60 C ATOM 419 CD LYS A 82 14.014 -10.460 9.066 1.00 0.92 C ATOM 420 CE LYS A 82 14.470 -9.678 10.299 1.00 1.49 C ATOM 421 NZ LYS A 82 13.585 -10.009 11.452 1.00 2.32 N ATOM 0 H LYS A 82 10.886 -11.846 5.598 1.00 0.52 H new ATOM 0 HA LYS A 82 10.157 -10.085 7.713 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.065 -11.811 7.589 1.00 0.55 H new ATOM 0 HB3 LYS A 82 12.953 -10.639 6.635 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.573 -8.942 8.524 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.903 -10.248 9.482 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.029 -11.530 9.275 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.701 -10.287 8.238 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.504 -9.925 10.538 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.437 -8.607 10.097 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 14.046 -9.720 12.338 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 12.681 -9.505 11.352 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 13.409 -11.034 11.472 1.00 2.32 H new ATOM 435 N ALA A 83 11.487 -8.699 5.022 1.00 0.42 N ATOM 436 CA ALA A 83 11.749 -7.348 4.433 1.00 0.41 C ATOM 437 C ALA A 83 10.435 -6.567 4.319 1.00 0.35 C ATOM 438 O ALA A 83 10.407 -5.361 4.462 1.00 0.34 O ATOM 439 CB ALA A 83 12.405 -7.477 3.051 1.00 0.52 C ATOM 0 H ALA A 83 11.618 -9.492 4.394 1.00 0.42 H new ATOM 0 HA ALA A 83 12.432 -6.809 5.089 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.587 -6.484 2.640 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.351 -8.009 3.146 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.743 -8.030 2.384 1.00 0.52 H new ATOM 445 N ALA A 84 9.347 -7.242 4.065 1.00 0.34 N ATOM 446 CA ALA A 84 8.037 -6.534 3.946 1.00 0.31 C ATOM 447 C ALA A 84 7.687 -5.861 5.276 1.00 0.28 C ATOM 448 O ALA A 84 7.346 -4.697 5.321 1.00 0.28 O ATOM 449 CB ALA A 84 6.946 -7.545 3.584 1.00 0.34 C ATOM 0 H ALA A 84 9.307 -8.253 3.935 1.00 0.34 H new ATOM 0 HA ALA A 84 8.107 -5.774 3.168 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.989 -7.031 3.496 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.191 -8.020 2.634 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.880 -8.304 4.363 1.00 0.34 H new ATOM 455 N VAL A 85 7.759 -6.586 6.357 1.00 0.29 N ATOM 456 CA VAL A 85 7.422 -5.986 7.679 1.00 0.29 C ATOM 457 C VAL A 85 8.419 -4.881 8.007 1.00 0.29 C ATOM 458 O VAL A 85 8.045 -3.792 8.397 1.00 0.30 O ATOM 459 CB VAL A 85 7.476 -7.062 8.766 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.980 -6.479 10.090 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.580 -8.237 8.373 1.00 0.38 C ATOM 0 H VAL A 85 8.036 -7.567 6.383 1.00 0.29 H new ATOM 0 HA VAL A 85 6.416 -5.568 7.637 1.00 0.29 H new ATOM 0 HB VAL A 85 8.505 -7.406 8.876 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.019 -7.247 10.863 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.614 -5.641 10.379 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.953 -6.134 9.973 1.00 0.37 H new ATOM 0 HG21 VAL A 85 6.621 -9.001 9.149 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.553 -7.889 8.260 1.00 0.38 H new ATOM 0 HG23 VAL A 85 6.926 -8.659 7.430 1.00 0.38 H new ATOM 471 N ASP A 86 9.684 -5.142 7.850 1.00 0.30 N ATOM 472 CA ASP A 86 10.688 -4.091 8.153 1.00 0.32 C ATOM 473 C ASP A 86 10.413 -2.893 7.247 1.00 0.30 C ATOM 474 O ASP A 86 10.359 -1.763 7.691 1.00 0.31 O ATOM 475 CB ASP A 86 12.094 -4.632 7.885 1.00 0.36 C ATOM 476 CG ASP A 86 12.492 -5.592 9.008 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.601 -6.162 9.617 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.679 -5.740 9.242 1.00 1.05 O ATOM 0 H ASP A 86 10.064 -6.032 7.527 1.00 0.30 H new ATOM 0 HA ASP A 86 10.621 -3.793 9.199 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.120 -5.147 6.925 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.807 -3.810 7.825 1.00 0.36 H new ATOM 483 N LEU A 87 10.222 -3.136 5.981 1.00 0.29 N ATOM 484 CA LEU A 87 9.930 -2.019 5.044 1.00 0.30 C ATOM 485 C LEU A 87 8.634 -1.327 5.475 1.00 0.29 C ATOM 486 O LEU A 87 8.522 -0.118 5.426 1.00 0.30 O ATOM 487 CB LEU A 87 9.773 -2.574 3.624 1.00 0.33 C ATOM 488 CG LEU A 87 9.680 -1.423 2.605 1.00 0.42 C ATOM 489 CD1 LEU A 87 11.063 -0.792 2.368 1.00 0.52 C ATOM 490 CD2 LEU A 87 9.139 -1.971 1.279 1.00 0.44 C ATOM 0 H LEU A 87 10.256 -4.062 5.555 1.00 0.29 H new ATOM 0 HA LEU A 87 10.749 -1.300 5.060 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.620 -3.215 3.382 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.878 -3.193 3.566 1.00 0.33 H new ATOM 0 HG LEU A 87 9.011 -0.657 2.999 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.974 0.019 1.645 1.00 0.52 H new ATOM 0 HD12 LEU A 87 11.449 -0.399 3.308 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.747 -1.548 1.983 1.00 0.52 H new ATOM 0 HD21 LEU A 87 9.070 -1.162 0.552 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.812 -2.741 0.902 1.00 0.44 H new ATOM 0 HD23 LEU A 87 8.150 -2.400 1.439 1.00 0.44 H new ATOM 502 N SER A 88 7.649 -2.081 5.894 1.00 0.30 N ATOM 503 CA SER A 88 6.368 -1.450 6.321 1.00 0.34 C ATOM 504 C SER A 88 6.647 -0.369 7.369 1.00 0.33 C ATOM 505 O SER A 88 6.043 0.685 7.362 1.00 0.36 O ATOM 506 CB SER A 88 5.455 -2.516 6.924 1.00 0.40 C ATOM 507 OG SER A 88 5.864 -2.784 8.260 1.00 0.44 O ATOM 0 H SER A 88 7.678 -3.099 5.958 1.00 0.30 H new ATOM 0 HA SER A 88 5.884 -0.997 5.456 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.420 -2.175 6.910 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.498 -3.428 6.328 1.00 0.40 H new ATOM 0 HG SER A 88 6.493 -3.535 8.265 1.00 0.44 H new ATOM 513 N HIS A 89 7.548 -0.625 8.278 1.00 0.34 N ATOM 514 CA HIS A 89 7.852 0.385 9.331 1.00 0.36 C ATOM 515 C HIS A 89 8.656 1.543 8.738 1.00 0.36 C ATOM 516 O HIS A 89 8.466 2.686 9.102 1.00 0.41 O ATOM 517 CB HIS A 89 8.661 -0.271 10.452 1.00 0.41 C ATOM 518 CG HIS A 89 7.866 -1.391 11.063 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.027 -2.200 10.312 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.772 -1.852 12.353 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.472 -3.097 11.148 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.892 -2.929 12.404 1.00 0.82 N ATOM 0 H HIS A 89 8.086 -1.489 8.337 1.00 0.34 H new ATOM 0 HA HIS A 89 6.914 0.770 9.730 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.603 -0.654 10.058 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.911 0.468 11.213 1.00 0.41 H new ATOM 0 HD1 HIS A 89 6.861 -2.128 9.308 1.00 1.43 H new ATOM 0 HD2 HIS A 89 8.301 -1.441 13.200 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.772 -3.860 10.840 1.00 1.27 H new ATOM 530 N PHE A 90 9.553 1.267 7.833 1.00 0.34 N ATOM 531 CA PHE A 90 10.355 2.372 7.239 1.00 0.37 C ATOM 532 C PHE A 90 9.394 3.417 6.666 1.00 0.40 C ATOM 533 O PHE A 90 9.449 4.581 7.009 1.00 0.47 O ATOM 534 CB PHE A 90 11.251 1.810 6.123 1.00 0.38 C ATOM 535 CG PHE A 90 12.412 2.749 5.869 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.410 2.904 6.840 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.494 3.461 4.663 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.488 3.767 6.607 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.572 4.324 4.431 1.00 0.70 C ATOM 540 CZ PHE A 90 14.568 4.478 5.403 1.00 0.72 C ATOM 0 H PHE A 90 9.764 0.333 7.482 1.00 0.34 H new ATOM 0 HA PHE A 90 10.987 2.832 7.998 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.624 0.826 6.406 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.670 1.681 5.210 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.348 2.357 7.769 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.725 3.343 3.913 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.258 3.884 7.356 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.635 4.871 3.502 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.398 5.145 5.224 1.00 0.72 H new ATOM 550 N LEU A 91 8.510 3.004 5.802 1.00 0.37 N ATOM 551 CA LEU A 91 7.536 3.962 5.210 1.00 0.42 C ATOM 552 C LEU A 91 6.623 4.533 6.302 1.00 0.47 C ATOM 553 O LEU A 91 6.146 5.643 6.202 1.00 0.57 O ATOM 554 CB LEU A 91 6.684 3.237 4.164 1.00 0.41 C ATOM 555 CG LEU A 91 7.562 2.817 2.973 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.826 1.755 2.153 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.872 4.030 2.075 1.00 0.54 C ATOM 0 H LEU A 91 8.420 2.041 5.479 1.00 0.37 H new ATOM 0 HA LEU A 91 8.083 4.780 4.741 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.216 2.359 4.609 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.880 3.889 3.822 1.00 0.41 H new ATOM 0 HG LEU A 91 8.500 2.413 3.353 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.445 1.454 1.308 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.623 0.887 2.780 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.885 2.166 1.786 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.494 3.713 1.238 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.940 4.450 1.696 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.401 4.786 2.655 1.00 0.54 H new ATOM 569 N LYS A 92 6.360 3.786 7.343 1.00 0.45 N ATOM 570 CA LYS A 92 5.463 4.313 8.410 1.00 0.53 C ATOM 571 C LYS A 92 6.061 5.592 9.000 1.00 0.63 C ATOM 572 O LYS A 92 5.362 6.553 9.259 1.00 0.85 O ATOM 573 CB LYS A 92 5.308 3.264 9.516 1.00 0.54 C ATOM 574 CG LYS A 92 4.422 3.827 10.631 1.00 0.73 C ATOM 575 CD LYS A 92 4.075 2.713 11.619 1.00 1.20 C ATOM 576 CE LYS A 92 3.135 3.257 12.695 1.00 1.61 C ATOM 577 NZ LYS A 92 3.036 2.273 13.810 1.00 2.27 N ATOM 0 H LYS A 92 6.723 2.846 7.498 1.00 0.45 H new ATOM 0 HA LYS A 92 4.486 4.535 7.981 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.866 2.354 9.110 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.286 2.993 9.915 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.939 4.637 11.146 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.511 4.249 10.208 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.602 1.882 11.095 1.00 1.20 H new ATOM 0 HD3 LYS A 92 4.984 2.324 12.078 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.506 4.211 13.069 1.00 1.61 H new ATOM 0 HE3 LYS A 92 2.148 3.443 12.271 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.285 2.567 14.467 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 2.810 1.334 13.425 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 3.943 2.231 14.317 1.00 2.27 H new ATOM 591 N GLU A 93 7.345 5.614 9.219 1.00 0.62 N ATOM 592 CA GLU A 93 7.986 6.827 9.796 1.00 0.76 C ATOM 593 C GLU A 93 8.033 7.951 8.755 1.00 0.77 C ATOM 594 O GLU A 93 7.325 8.934 8.853 1.00 1.05 O ATOM 595 CB GLU A 93 9.410 6.480 10.237 1.00 0.94 C ATOM 596 CG GLU A 93 9.355 5.536 11.440 1.00 1.22 C ATOM 597 CD GLU A 93 10.775 5.129 11.839 1.00 2.00 C ATOM 598 OE1 GLU A 93 11.331 4.269 11.177 1.00 2.54 O ATOM 599 OE2 GLU A 93 11.280 5.683 12.801 1.00 2.73 O ATOM 0 H GLU A 93 7.981 4.841 9.022 1.00 0.62 H new ATOM 0 HA GLU A 93 7.403 7.166 10.652 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.952 6.010 9.416 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.953 7.388 10.498 1.00 0.94 H new ATOM 0 HG2 GLU A 93 8.858 6.026 12.277 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.768 4.651 11.194 1.00 1.22 H new ATOM 606 N LYS A 94 8.882 7.820 7.774 1.00 0.80 N ATOM 607 CA LYS A 94 9.007 8.886 6.734 1.00 1.02 C ATOM 608 C LYS A 94 7.868 8.788 5.711 1.00 0.96 C ATOM 609 O LYS A 94 7.291 9.783 5.320 1.00 1.41 O ATOM 610 CB LYS A 94 10.353 8.731 6.016 1.00 1.39 C ATOM 611 CG LYS A 94 11.511 8.827 7.033 1.00 1.63 C ATOM 612 CD LYS A 94 11.915 10.298 7.254 1.00 2.18 C ATOM 613 CE LYS A 94 12.943 10.725 6.200 1.00 2.61 C ATOM 614 NZ LYS A 94 13.093 12.206 6.219 1.00 2.96 N ATOM 0 H LYS A 94 9.499 7.018 7.645 1.00 0.80 H new ATOM 0 HA LYS A 94 8.950 9.860 7.221 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.390 7.772 5.500 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.460 9.506 5.257 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.209 8.381 7.980 1.00 1.63 H new ATOM 0 HG3 LYS A 94 12.368 8.259 6.672 1.00 1.63 H new ATOM 0 HD2 LYS A 94 11.035 10.938 7.195 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.333 10.422 8.253 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.903 10.250 6.401 1.00 2.61 H new ATOM 0 HE3 LYS A 94 12.624 10.394 5.212 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.791 12.493 5.503 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.177 12.650 6.008 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 13.416 12.510 7.159 1.00 2.96 H new ATOM 628 N GLY A 95 7.552 7.605 5.257 1.00 1.12 N ATOM 629 CA GLY A 95 6.465 7.463 4.244 1.00 1.51 C ATOM 630 C GLY A 95 5.162 8.063 4.777 1.00 1.10 C ATOM 631 O GLY A 95 4.701 9.083 4.303 1.00 1.71 O ATOM 0 H GLY A 95 7.998 6.733 5.542 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.752 7.963 3.319 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.317 6.410 4.004 1.00 1.51 H new ATOM 635 N GLY A 96 4.557 7.442 5.753 1.00 1.17 N ATOM 636 CA GLY A 96 3.281 7.987 6.301 1.00 0.99 C ATOM 637 C GLY A 96 2.132 7.647 5.350 1.00 0.81 C ATOM 638 O GLY A 96 1.262 8.457 5.093 1.00 0.83 O ATOM 0 H GLY A 96 4.889 6.584 6.194 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.087 7.566 7.288 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.358 9.067 6.425 1.00 0.99 H new ATOM 642 N LEU A 97 2.121 6.451 4.830 1.00 0.67 N ATOM 643 CA LEU A 97 1.034 6.043 3.896 1.00 0.55 C ATOM 644 C LEU A 97 -0.199 5.641 4.713 1.00 0.46 C ATOM 645 O LEU A 97 -1.309 5.619 4.220 1.00 0.49 O ATOM 646 CB LEU A 97 1.522 4.850 3.066 1.00 0.54 C ATOM 647 CG LEU A 97 0.485 4.484 1.996 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.345 5.630 0.974 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.936 3.199 1.290 1.00 0.66 C ATOM 0 H LEU A 97 2.823 5.734 5.013 1.00 0.67 H new ATOM 0 HA LEU A 97 0.773 6.867 3.232 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.473 5.093 2.592 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.700 3.994 3.717 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.486 4.325 2.466 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.394 5.357 0.220 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.023 6.537 1.486 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.306 5.807 0.492 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.207 2.928 0.527 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.907 3.362 0.823 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.015 2.392 2.019 1.00 0.66 H new ATOM 661 N GLU A 98 -0.003 5.327 5.963 1.00 0.44 N ATOM 662 CA GLU A 98 -1.145 4.925 6.832 1.00 0.40 C ATOM 663 C GLU A 98 -2.247 5.986 6.796 1.00 0.40 C ATOM 664 O GLU A 98 -2.003 7.158 6.593 1.00 0.58 O ATOM 665 CB GLU A 98 -0.653 4.766 8.276 1.00 0.49 C ATOM 666 CG GLU A 98 -1.833 4.460 9.211 1.00 0.48 C ATOM 667 CD GLU A 98 -1.312 4.166 10.618 1.00 1.26 C ATOM 668 OE1 GLU A 98 -0.115 3.975 10.758 1.00 2.03 O ATOM 669 OE2 GLU A 98 -2.119 4.134 11.533 1.00 1.94 O ATOM 0 H GLU A 98 0.907 5.332 6.424 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.548 3.981 6.464 1.00 0.40 H new ATOM 0 HB2 GLU A 98 0.081 3.962 8.331 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.151 5.678 8.599 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.519 5.307 9.236 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.395 3.605 8.835 1.00 0.48 H new ATOM 676 N GLY A 99 -3.458 5.567 7.029 1.00 0.39 N ATOM 677 CA GLY A 99 -4.610 6.513 7.059 1.00 0.42 C ATOM 678 C GLY A 99 -4.676 7.366 5.788 1.00 0.42 C ATOM 679 O GLY A 99 -5.559 8.186 5.638 1.00 0.46 O ATOM 0 H GLY A 99 -3.704 4.592 7.203 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.538 5.953 7.170 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.524 7.163 7.930 1.00 0.42 H new ATOM 683 N LEU A 100 -3.770 7.191 4.866 1.00 0.41 N ATOM 684 CA LEU A 100 -3.830 8.015 3.622 1.00 0.43 C ATOM 685 C LEU A 100 -4.936 7.466 2.716 1.00 0.42 C ATOM 686 O LEU A 100 -4.856 6.353 2.237 1.00 0.44 O ATOM 687 CB LEU A 100 -2.477 7.964 2.887 1.00 0.45 C ATOM 688 CG LEU A 100 -2.321 9.205 1.975 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.738 10.378 2.775 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.380 8.881 0.807 1.00 1.17 C ATOM 0 H LEU A 100 -3.000 6.524 4.916 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.046 9.052 3.881 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.662 7.930 3.610 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.412 7.054 2.291 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.303 9.479 1.590 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.632 11.246 2.124 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.406 10.623 3.601 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.761 10.099 3.169 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.275 9.759 0.170 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.402 8.596 1.196 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.793 8.057 0.225 1.00 1.17 H new ATOM 702 N ILE A 101 -5.972 8.227 2.484 1.00 0.44 N ATOM 703 CA ILE A 101 -7.072 7.721 1.618 1.00 0.45 C ATOM 704 C ILE A 101 -6.544 7.438 0.203 1.00 0.46 C ATOM 705 O ILE A 101 -6.294 8.332 -0.580 1.00 0.49 O ATOM 706 CB ILE A 101 -8.247 8.726 1.613 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.121 8.505 2.874 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.106 8.563 0.357 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.102 7.321 2.679 1.00 0.52 C ATOM 0 H ILE A 101 -6.103 9.169 2.854 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.449 6.780 2.018 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.837 9.736 1.617 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.480 8.311 3.734 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.683 9.413 3.094 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.925 9.282 0.380 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.494 8.738 -0.528 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.512 7.552 0.323 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.700 7.192 3.581 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.759 7.528 1.834 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.538 6.409 2.485 1.00 0.52 H new ATOM 721 N HIS A 102 -6.387 6.175 -0.115 1.00 0.47 N ATOM 722 CA HIS A 102 -5.890 5.767 -1.462 1.00 0.51 C ATOM 723 C HIS A 102 -6.898 6.204 -2.532 1.00 0.58 C ATOM 724 O HIS A 102 -7.933 5.586 -2.715 1.00 0.64 O ATOM 725 CB HIS A 102 -5.711 4.228 -1.485 1.00 0.57 C ATOM 726 CG HIS A 102 -5.866 3.681 -2.885 1.00 0.64 C ATOM 727 ND1 HIS A 102 -7.067 3.159 -3.339 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.989 3.573 -3.935 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.882 2.764 -4.612 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.633 2.994 -5.024 1.00 0.70 N ATOM 0 H HIS A 102 -6.587 5.398 0.515 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.932 6.243 -1.670 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.726 3.968 -1.097 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.446 3.764 -0.827 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.933 3.087 -2.805 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.956 3.889 -3.919 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.650 2.316 -5.225 1.00 1.36 H new ATOM 738 N SER A 103 -6.586 7.251 -3.248 1.00 0.60 N ATOM 739 CA SER A 103 -7.500 7.726 -4.320 1.00 0.69 C ATOM 740 C SER A 103 -7.542 6.684 -5.439 1.00 0.76 C ATOM 741 O SER A 103 -8.490 5.934 -5.567 1.00 0.85 O ATOM 742 CB SER A 103 -6.982 9.052 -4.877 1.00 0.74 C ATOM 743 OG SER A 103 -7.903 9.552 -5.838 1.00 1.49 O ATOM 0 H SER A 103 -5.733 7.798 -3.134 1.00 0.60 H new ATOM 0 HA SER A 103 -8.502 7.870 -3.915 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.854 9.773 -4.070 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.003 8.909 -5.335 1.00 0.74 H new ATOM 0 HG SER A 103 -7.573 10.403 -6.195 1.00 1.49 H new ATOM 749 N GLN A 104 -6.517 6.629 -6.250 1.00 0.81 N ATOM 750 CA GLN A 104 -6.496 5.633 -7.359 1.00 0.92 C ATOM 751 C GLN A 104 -5.119 5.633 -8.033 1.00 0.93 C ATOM 752 O GLN A 104 -4.566 4.592 -8.330 1.00 1.37 O ATOM 753 CB GLN A 104 -7.565 5.996 -8.390 1.00 1.06 C ATOM 754 CG GLN A 104 -7.562 4.957 -9.512 1.00 1.76 C ATOM 755 CD GLN A 104 -8.815 5.131 -10.372 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.628 5.998 -10.113 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.008 4.337 -11.389 1.00 2.70 N ATOM 0 H GLN A 104 -5.695 7.231 -6.191 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.698 4.642 -6.954 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.546 6.032 -7.916 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.371 6.988 -8.798 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -6.668 5.071 -10.125 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.533 3.952 -9.091 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -8.326 3.610 -11.605 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -9.841 4.443 -11.968 1.00 2.70 H new ATOM 766 N ARG A 105 -4.566 6.790 -8.287 1.00 0.83 N ATOM 767 CA ARG A 105 -3.228 6.856 -8.953 1.00 0.87 C ATOM 768 C ARG A 105 -2.117 6.790 -7.899 1.00 0.74 C ATOM 769 O ARG A 105 -1.010 6.373 -8.178 1.00 0.70 O ATOM 770 CB ARG A 105 -3.112 8.170 -9.733 1.00 1.06 C ATOM 771 CG ARG A 105 -1.945 8.085 -10.736 1.00 1.71 C ATOM 772 CD ARG A 105 -2.389 7.362 -12.028 1.00 1.99 C ATOM 773 NE ARG A 105 -1.321 6.409 -12.480 1.00 2.86 N ATOM 774 CZ ARG A 105 -0.061 6.767 -12.525 1.00 3.60 C ATOM 775 NH1 ARG A 105 0.288 8.000 -12.284 1.00 3.73 N ATOM 776 NH2 ARG A 105 0.850 5.891 -12.852 1.00 4.61 N ATOM 0 H ARG A 105 -4.982 7.694 -8.062 1.00 0.83 H new ATOM 0 HA ARG A 105 -3.125 6.013 -9.636 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -4.043 8.372 -10.262 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.951 8.999 -9.044 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -1.592 9.088 -10.977 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -1.108 7.552 -10.284 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -3.318 6.821 -11.850 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.591 8.092 -12.812 1.00 1.99 H new ATOM 0 HE ARG A 105 -1.581 5.463 -12.758 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -0.422 8.696 -12.058 1.00 3.73 H new ATOM 0 HH12 ARG A 105 1.271 8.268 -12.322 1.00 3.73 H new ATOM 0 HH21 ARG A 105 0.580 4.932 -13.071 1.00 4.61 H new ATOM 0 HH22 ARG A 105 1.832 6.165 -12.888 1.00 4.61 H new ATOM 790 N ARG A 106 -2.398 7.200 -6.692 1.00 0.71 N ATOM 791 CA ARG A 106 -1.350 7.161 -5.629 1.00 0.65 C ATOM 792 C ARG A 106 -0.767 5.748 -5.550 1.00 0.54 C ATOM 793 O ARG A 106 0.361 5.550 -5.140 1.00 0.50 O ATOM 794 CB ARG A 106 -1.981 7.525 -4.280 1.00 0.70 C ATOM 795 CG ARG A 106 -2.176 9.045 -4.184 1.00 1.01 C ATOM 796 CD ARG A 106 -2.711 9.428 -2.782 1.00 1.24 C ATOM 797 NE ARG A 106 -3.843 10.404 -2.907 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.762 11.443 -3.697 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.654 11.710 -4.329 1.00 2.86 N ATOM 800 NH2 ARG A 106 -4.791 12.236 -3.829 1.00 3.29 N ATOM 0 H ARG A 106 -3.305 7.560 -6.395 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.559 7.873 -5.866 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.940 7.019 -4.170 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.343 7.180 -3.466 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.230 9.553 -4.371 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -2.874 9.379 -4.951 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -3.048 8.534 -2.257 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.910 9.864 -2.186 1.00 1.24 H new ATOM 0 HE ARG A 106 -4.694 10.254 -2.365 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -1.841 11.106 -4.210 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -2.600 12.523 -4.943 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -5.652 12.044 -3.317 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -4.734 13.048 -4.444 1.00 3.29 H new ATOM 814 N GLN A 107 -1.532 4.768 -5.937 1.00 0.55 N ATOM 815 CA GLN A 107 -1.044 3.359 -5.888 1.00 0.52 C ATOM 816 C GLN A 107 0.145 3.182 -6.841 1.00 0.49 C ATOM 817 O GLN A 107 1.142 2.575 -6.502 1.00 0.44 O ATOM 818 CB GLN A 107 -2.182 2.431 -6.319 1.00 0.63 C ATOM 819 CG GLN A 107 -1.861 0.991 -5.924 1.00 1.11 C ATOM 820 CD GLN A 107 -3.023 0.083 -6.329 1.00 1.53 C ATOM 821 OE1 GLN A 107 -4.012 -0.009 -5.626 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.950 -0.597 -7.441 1.00 2.12 N ATOM 0 H GLN A 107 -2.483 4.881 -6.288 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.724 3.118 -4.874 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -3.115 2.745 -5.852 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.327 2.497 -7.397 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.943 0.664 -6.412 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.692 0.926 -4.849 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.122 -0.521 -8.032 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -3.721 -1.204 -7.719 1.00 2.12 H new ATOM 831 N ASP A 108 0.041 3.698 -8.034 1.00 0.56 N ATOM 832 CA ASP A 108 1.156 3.551 -9.013 1.00 0.59 C ATOM 833 C ASP A 108 2.431 4.204 -8.470 1.00 0.54 C ATOM 834 O ASP A 108 3.505 3.640 -8.540 1.00 0.54 O ATOM 835 CB ASP A 108 0.762 4.217 -10.331 1.00 0.72 C ATOM 836 CG ASP A 108 -0.321 3.383 -11.018 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.035 2.482 -11.759 1.00 1.42 O ATOM 838 OD2 ASP A 108 -1.488 3.660 -10.791 1.00 1.33 O ATOM 0 H ASP A 108 -0.769 4.216 -8.374 1.00 0.56 H new ATOM 0 HA ASP A 108 1.347 2.491 -9.177 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.396 5.227 -10.146 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.633 4.308 -10.980 1.00 0.72 H new ATOM 843 N ILE A 109 2.329 5.393 -7.941 1.00 0.55 N ATOM 844 CA ILE A 109 3.545 6.076 -7.410 1.00 0.54 C ATOM 845 C ILE A 109 4.174 5.227 -6.301 1.00 0.47 C ATOM 846 O ILE A 109 5.381 5.139 -6.184 1.00 0.53 O ATOM 847 CB ILE A 109 3.162 7.447 -6.847 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.366 8.229 -7.897 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.430 8.227 -6.491 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.930 9.573 -7.310 1.00 1.47 C ATOM 0 H ILE A 109 1.460 5.920 -7.853 1.00 0.55 H new ATOM 0 HA ILE A 109 4.264 6.204 -8.219 1.00 0.54 H new ATOM 0 HB ILE A 109 2.553 7.312 -5.953 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.976 8.389 -8.786 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.493 7.656 -8.208 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.156 9.203 -6.090 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.999 7.674 -5.744 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.039 8.360 -7.385 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.364 10.130 -8.057 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.305 9.402 -6.434 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.811 10.147 -7.021 1.00 1.47 H new ATOM 862 N LEU A 110 3.369 4.608 -5.483 1.00 0.43 N ATOM 863 CA LEU A 110 3.920 3.775 -4.375 1.00 0.39 C ATOM 864 C LEU A 110 4.927 2.760 -4.930 1.00 0.38 C ATOM 865 O LEU A 110 6.105 2.821 -4.644 1.00 0.38 O ATOM 866 CB LEU A 110 2.767 3.035 -3.683 1.00 0.42 C ATOM 867 CG LEU A 110 3.301 2.048 -2.635 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.197 2.779 -1.626 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.114 1.418 -1.902 1.00 0.66 C ATOM 0 H LEU A 110 2.351 4.643 -5.533 1.00 0.43 H new ATOM 0 HA LEU A 110 4.429 4.418 -3.657 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.102 3.755 -3.205 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.176 2.499 -4.425 1.00 0.42 H new ATOM 0 HG LEU A 110 3.890 1.276 -3.130 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.569 2.068 -0.888 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.039 3.233 -2.149 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.620 3.555 -1.123 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.480 0.714 -1.154 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.533 2.199 -1.412 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.483 0.891 -2.617 1.00 0.66 H new ATOM 881 N ASP A 111 4.466 1.815 -5.705 1.00 0.40 N ATOM 882 CA ASP A 111 5.388 0.779 -6.262 1.00 0.42 C ATOM 883 C ASP A 111 6.579 1.433 -6.975 1.00 0.43 C ATOM 884 O ASP A 111 7.680 0.920 -6.955 1.00 0.42 O ATOM 885 CB ASP A 111 4.623 -0.090 -7.262 1.00 0.50 C ATOM 886 CG ASP A 111 3.433 -0.744 -6.562 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.695 -0.033 -5.898 1.00 1.19 O ATOM 888 OD2 ASP A 111 3.278 -1.947 -6.699 1.00 1.30 O ATOM 0 H ASP A 111 3.488 1.714 -5.978 1.00 0.40 H new ATOM 0 HA ASP A 111 5.764 0.171 -5.439 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.278 0.518 -8.098 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.282 -0.855 -7.674 1.00 0.50 H new ATOM 893 N LEU A 112 6.369 2.546 -7.621 1.00 0.48 N ATOM 894 CA LEU A 112 7.490 3.208 -8.352 1.00 0.52 C ATOM 895 C LEU A 112 8.584 3.635 -7.374 1.00 0.48 C ATOM 896 O LEU A 112 9.746 3.336 -7.567 1.00 0.47 O ATOM 897 CB LEU A 112 6.947 4.433 -9.100 1.00 0.60 C ATOM 898 CG LEU A 112 8.081 5.179 -9.823 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.771 4.247 -10.831 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.489 6.387 -10.561 1.00 1.26 C ATOM 0 H LEU A 112 5.471 3.027 -7.675 1.00 0.48 H new ATOM 0 HA LEU A 112 7.921 2.504 -9.064 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.194 4.119 -9.823 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.454 5.105 -8.397 1.00 0.60 H new ATOM 0 HG LEU A 112 8.819 5.512 -9.093 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.572 4.787 -11.336 1.00 1.45 H new ATOM 0 HD12 LEU A 112 9.188 3.388 -10.306 1.00 1.45 H new ATOM 0 HD13 LEU A 112 8.044 3.905 -11.567 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.285 6.924 -11.078 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.752 6.044 -11.287 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.009 7.052 -9.843 1.00 1.26 H new ATOM 912 N TRP A 113 8.242 4.343 -6.335 1.00 0.48 N ATOM 913 CA TRP A 113 9.297 4.777 -5.382 1.00 0.48 C ATOM 914 C TRP A 113 10.103 3.566 -4.930 1.00 0.43 C ATOM 915 O TRP A 113 11.318 3.569 -4.971 1.00 0.45 O ATOM 916 CB TRP A 113 8.671 5.460 -4.165 1.00 0.52 C ATOM 917 CG TRP A 113 9.767 5.948 -3.270 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.448 7.105 -3.433 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.325 5.310 -2.082 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.388 7.219 -2.425 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.350 6.137 -1.566 1.00 0.65 C ATOM 922 CE3 TRP A 113 10.041 4.109 -1.409 1.00 0.51 C ATOM 923 CZ2 TRP A 113 12.071 5.783 -0.425 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.765 3.749 -0.261 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.777 4.585 0.231 1.00 0.67 C ATOM 0 H TRP A 113 7.292 4.636 -6.107 1.00 0.48 H new ATOM 0 HA TRP A 113 9.953 5.489 -5.884 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.043 6.293 -4.481 1.00 0.52 H new ATOM 0 HB3 TRP A 113 8.029 4.761 -3.629 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.284 7.824 -4.222 1.00 0.66 H new ATOM 0 HE1 TRP A 113 12.031 8.005 -2.328 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.261 3.459 -1.777 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.851 6.430 -0.052 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.541 2.822 0.246 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.329 4.303 1.116 1.00 0.67 H new ATOM 936 N ILE A 114 9.449 2.523 -4.507 1.00 0.39 N ATOM 937 CA ILE A 114 10.203 1.320 -4.065 1.00 0.37 C ATOM 938 C ILE A 114 11.102 0.863 -5.220 1.00 0.39 C ATOM 939 O ILE A 114 12.089 0.183 -5.019 1.00 0.44 O ATOM 940 CB ILE A 114 9.218 0.190 -3.676 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.597 0.466 -2.283 1.00 0.37 C ATOM 942 CG2 ILE A 114 9.959 -1.156 -3.644 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.361 1.359 -2.423 1.00 1.00 C ATOM 0 H ILE A 114 8.433 2.451 -4.448 1.00 0.39 H new ATOM 0 HA ILE A 114 10.811 1.559 -3.192 1.00 0.37 H new ATOM 0 HB ILE A 114 8.421 0.155 -4.419 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.323 -0.475 -1.806 1.00 0.37 H new ATOM 0 HG13 ILE A 114 9.332 0.948 -1.638 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.262 -1.948 -3.370 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.377 -1.365 -4.629 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.764 -1.111 -2.911 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.934 1.546 -1.438 1.00 1.00 H new ATOM 0 HD12 ILE A 114 7.646 2.306 -2.880 1.00 1.00 H new ATOM 0 HD13 ILE A 114 6.622 0.861 -3.051 1.00 1.00 H new ATOM 955 N TYR A 115 10.757 1.212 -6.430 1.00 0.40 N ATOM 956 CA TYR A 115 11.580 0.778 -7.591 1.00 0.46 C ATOM 957 C TYR A 115 12.968 1.444 -7.580 1.00 0.51 C ATOM 958 O TYR A 115 13.969 0.790 -7.365 1.00 0.54 O ATOM 959 CB TYR A 115 10.833 1.122 -8.892 1.00 0.53 C ATOM 960 CG TYR A 115 11.231 0.159 -9.995 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.955 -1.211 -9.860 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.875 0.632 -11.146 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.321 -2.101 -10.875 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.239 -0.261 -12.161 1.00 0.82 C ATOM 965 CZ TYR A 115 11.963 -1.626 -12.024 1.00 0.77 C ATOM 966 OH TYR A 115 12.324 -2.507 -13.023 1.00 0.87 O ATOM 0 H TYR A 115 9.941 1.778 -6.663 1.00 0.40 H new ATOM 0 HA TYR A 115 11.736 -0.299 -7.525 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.757 1.072 -8.726 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.062 2.145 -9.192 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.460 -1.577 -8.973 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.091 1.685 -11.250 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.108 -3.155 -10.772 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.733 0.104 -13.050 1.00 0.82 H new ATOM 0 HH TYR A 115 12.759 -2.016 -13.751 1.00 0.87 H new ATOM 976 N HIS A 116 13.049 2.723 -7.847 1.00 0.58 N ATOM 977 CA HIS A 116 14.390 3.389 -7.889 1.00 0.67 C ATOM 978 C HIS A 116 15.070 3.379 -6.514 1.00 0.67 C ATOM 979 O HIS A 116 16.052 4.067 -6.309 1.00 0.81 O ATOM 980 CB HIS A 116 14.247 4.831 -8.389 1.00 0.79 C ATOM 981 CG HIS A 116 13.469 5.669 -7.408 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.292 6.308 -7.766 1.00 1.99 N ATOM 983 CD2 HIS A 116 13.698 6.018 -6.098 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.862 7.000 -6.696 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.682 6.859 -5.652 1.00 2.74 N ATOM 0 H HIS A 116 12.253 3.332 -8.036 1.00 0.58 H new ATOM 0 HA HIS A 116 15.018 2.825 -8.578 1.00 0.67 H new ATOM 0 HB2 HIS A 116 15.235 5.266 -8.541 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.744 4.836 -9.356 1.00 0.79 H new ATOM 0 HD2 HIS A 116 14.539 5.690 -5.505 1.00 2.05 H new ATOM 0 HE1 HIS A 116 10.962 7.597 -6.683 1.00 2.71 H new ATOM 0 HE2 HIS A 116 12.585 7.277 -4.727 1.00 2.74 H new ATOM 993 N THR A 117 14.577 2.611 -5.574 1.00 0.63 N ATOM 994 CA THR A 117 15.221 2.569 -4.217 1.00 0.68 C ATOM 995 C THR A 117 16.062 1.297 -4.082 1.00 0.66 C ATOM 996 O THR A 117 17.186 1.233 -4.539 1.00 0.73 O ATOM 997 CB THR A 117 14.143 2.574 -3.133 1.00 0.80 C ATOM 998 OG1 THR A 117 13.127 1.646 -3.477 1.00 0.85 O ATOM 999 CG2 THR A 117 13.544 3.976 -3.012 1.00 0.91 C ATOM 0 H THR A 117 13.759 2.012 -5.683 1.00 0.63 H new ATOM 0 HA THR A 117 15.860 3.444 -4.101 1.00 0.68 H new ATOM 0 HB THR A 117 14.584 2.290 -2.178 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.410 1.126 -4.258 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.776 3.978 -2.239 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.328 4.685 -2.746 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.101 4.266 -3.965 1.00 0.91 H new ATOM 1007 N GLN A 118 15.530 0.283 -3.451 1.00 0.73 N ATOM 1008 CA GLN A 118 16.304 -0.981 -3.286 1.00 0.83 C ATOM 1009 C GLN A 118 16.185 -1.815 -4.565 1.00 0.72 C ATOM 1010 O GLN A 118 16.795 -2.856 -4.702 1.00 0.91 O ATOM 1011 CB GLN A 118 15.753 -1.782 -2.098 1.00 1.06 C ATOM 1012 CG GLN A 118 15.402 -0.839 -0.939 1.00 1.48 C ATOM 1013 CD GLN A 118 14.063 -0.132 -1.197 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.745 0.835 -0.535 1.00 2.89 O ATOM 1015 NE2 GLN A 118 13.256 -0.568 -2.130 1.00 2.13 N ATOM 0 H GLN A 118 14.595 0.276 -3.044 1.00 0.73 H new ATOM 0 HA GLN A 118 17.351 -0.741 -3.098 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.867 -2.338 -2.405 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.491 -2.514 -1.770 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.347 -1.404 -0.009 1.00 1.48 H new ATOM 0 HG3 GLN A 118 16.192 -0.098 -0.815 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.516 -1.380 -2.691 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.367 -0.096 -2.297 1.00 2.13 H new ATOM 1024 N GLY A 119 15.409 -1.352 -5.506 1.00 0.86 N ATOM 1025 CA GLY A 119 15.253 -2.099 -6.784 1.00 0.85 C ATOM 1026 C GLY A 119 14.353 -3.323 -6.591 1.00 0.65 C ATOM 1027 O GLY A 119 14.488 -4.309 -7.285 1.00 0.67 O ATOM 0 H GLY A 119 14.875 -0.485 -5.444 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.826 -1.444 -7.544 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.231 -2.414 -7.148 1.00 0.85 H new ATOM 1031 N TYR A 120 13.424 -3.278 -5.674 1.00 0.54 N ATOM 1032 CA TYR A 120 12.531 -4.458 -5.493 1.00 0.44 C ATOM 1033 C TYR A 120 11.549 -4.502 -6.664 1.00 0.49 C ATOM 1034 O TYR A 120 10.897 -3.524 -6.975 1.00 0.70 O ATOM 1035 CB TYR A 120 11.743 -4.339 -4.179 1.00 0.48 C ATOM 1036 CG TYR A 120 12.587 -4.804 -3.010 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.043 -6.130 -2.950 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.910 -3.911 -1.980 1.00 0.60 C ATOM 1039 CE1 TYR A 120 13.819 -6.556 -1.866 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.687 -4.338 -0.899 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.142 -5.659 -0.841 1.00 0.75 C ATOM 1042 OH TYR A 120 14.908 -6.078 0.226 1.00 0.91 O ATOM 0 H TYR A 120 13.246 -2.489 -5.052 1.00 0.54 H new ATOM 0 HA TYR A 120 13.132 -5.366 -5.458 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.436 -3.305 -4.025 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.833 -4.936 -4.238 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.795 -6.822 -3.741 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.558 -2.891 -2.021 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.169 -7.577 -1.820 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.936 -3.647 -0.108 1.00 0.71 H new ATOM 0 HH TYR A 120 15.040 -5.331 0.847 1.00 0.91 H new ATOM 1052 N PHE A 121 11.430 -5.625 -7.309 1.00 0.48 N ATOM 1053 CA PHE A 121 10.482 -5.719 -8.452 1.00 0.57 C ATOM 1054 C PHE A 121 9.052 -5.805 -7.886 1.00 0.55 C ATOM 1055 O PHE A 121 8.813 -6.543 -6.952 1.00 0.59 O ATOM 1056 CB PHE A 121 10.793 -6.974 -9.272 1.00 0.68 C ATOM 1057 CG PHE A 121 9.980 -6.956 -10.545 1.00 1.42 C ATOM 1058 CD1 PHE A 121 10.424 -6.216 -11.648 1.00 2.32 C ATOM 1059 CD2 PHE A 121 8.785 -7.678 -10.621 1.00 2.33 C ATOM 1060 CE1 PHE A 121 9.670 -6.198 -12.827 1.00 3.44 C ATOM 1061 CE2 PHE A 121 8.030 -7.660 -11.801 1.00 3.43 C ATOM 1062 CZ PHE A 121 8.473 -6.919 -12.904 1.00 3.85 C ATOM 0 H PHE A 121 11.945 -6.479 -7.097 1.00 0.48 H new ATOM 0 HA PHE A 121 10.577 -4.846 -9.097 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.857 -7.014 -9.507 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.561 -7.867 -8.692 1.00 0.68 H new ATOM 0 HD1 PHE A 121 11.348 -5.660 -11.589 1.00 2.32 H new ATOM 0 HD2 PHE A 121 8.444 -8.249 -9.770 1.00 2.33 H new ATOM 0 HE1 PHE A 121 10.012 -5.627 -13.678 1.00 3.44 H new ATOM 0 HE2 PHE A 121 7.107 -8.217 -11.860 1.00 3.43 H new ATOM 0 HZ PHE A 121 7.891 -6.904 -13.814 1.00 3.85 H new ATOM 1072 N PRO A 122 8.107 -5.055 -8.414 1.00 0.64 N ATOM 1073 CA PRO A 122 6.705 -5.072 -7.899 1.00 0.67 C ATOM 1074 C PRO A 122 5.905 -6.289 -8.374 1.00 0.73 C ATOM 1075 O PRO A 122 5.393 -6.326 -9.476 1.00 1.19 O ATOM 1076 CB PRO A 122 6.112 -3.778 -8.464 1.00 0.80 C ATOM 1077 CG PRO A 122 6.820 -3.591 -9.765 1.00 1.05 C ATOM 1078 CD PRO A 122 8.245 -4.112 -9.546 1.00 0.87 C ATOM 0 HA PRO A 122 6.674 -5.138 -6.811 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.034 -3.862 -8.605 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.281 -2.936 -7.793 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.322 -4.141 -10.564 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.829 -2.541 -10.058 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.630 -4.609 -10.436 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.935 -3.302 -9.310 1.00 0.87 H new ATOM 1086 N ASP A 123 5.783 -7.268 -7.530 1.00 0.56 N ATOM 1087 CA ASP A 123 5.005 -8.485 -7.878 1.00 0.64 C ATOM 1088 C ASP A 123 4.552 -9.129 -6.572 1.00 0.58 C ATOM 1089 O ASP A 123 4.260 -10.306 -6.504 1.00 0.65 O ATOM 1090 CB ASP A 123 5.885 -9.460 -8.667 1.00 0.74 C ATOM 1091 CG ASP A 123 7.211 -9.665 -7.933 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.477 -8.915 -7.009 1.00 1.27 O ATOM 1093 OD2 ASP A 123 7.940 -10.570 -8.309 1.00 1.38 O ATOM 0 H ASP A 123 6.196 -7.278 -6.597 1.00 0.56 H new ATOM 0 HA ASP A 123 4.145 -8.228 -8.496 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.372 -10.414 -8.785 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.069 -9.071 -9.668 1.00 0.74 H new ATOM 1098 N TRP A 124 4.511 -8.342 -5.526 1.00 0.53 N ATOM 1099 CA TRP A 124 4.101 -8.848 -4.183 1.00 0.52 C ATOM 1100 C TRP A 124 2.922 -8.030 -3.670 1.00 0.51 C ATOM 1101 O TRP A 124 2.181 -8.449 -2.802 1.00 0.55 O ATOM 1102 CB TRP A 124 5.280 -8.679 -3.226 1.00 0.49 C ATOM 1103 CG TRP A 124 5.761 -7.263 -3.309 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.706 -6.804 -4.168 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.325 -6.113 -2.531 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.880 -5.448 -3.955 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.052 -4.976 -2.958 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.381 -5.947 -1.502 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.848 -3.721 -2.387 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.173 -4.684 -0.925 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.906 -3.574 -1.367 1.00 0.55 C ATOM 0 H TRP A 124 4.750 -7.351 -5.549 1.00 0.53 H new ATOM 0 HA TRP A 124 3.811 -9.897 -4.250 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.977 -8.917 -2.206 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.083 -9.368 -3.489 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.235 -7.399 -4.898 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.540 -4.868 -4.472 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.812 -6.796 -1.153 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.415 -2.868 -2.731 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.444 -4.567 -0.136 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.742 -2.605 -0.919 1.00 0.55 H new ATOM 1122 N GLN A 125 2.753 -6.865 -4.205 1.00 0.53 N ATOM 1123 CA GLN A 125 1.628 -5.991 -3.767 1.00 0.60 C ATOM 1124 C GLN A 125 0.320 -6.503 -4.370 1.00 0.66 C ATOM 1125 O GLN A 125 0.069 -6.355 -5.550 1.00 0.84 O ATOM 1126 CB GLN A 125 1.874 -4.551 -4.228 1.00 0.69 C ATOM 1127 CG GLN A 125 0.687 -3.675 -3.815 1.00 1.56 C ATOM 1128 CD GLN A 125 1.030 -2.202 -4.043 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.396 -1.535 -4.838 1.00 2.78 O ATOM 1130 NE2 GLN A 125 2.010 -1.660 -3.373 1.00 2.82 N ATOM 0 H GLN A 125 3.347 -6.470 -4.934 1.00 0.53 H new ATOM 0 HA GLN A 125 1.562 -6.012 -2.679 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.794 -4.168 -3.786 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.003 -4.521 -5.310 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.196 -3.946 -4.393 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.446 -3.844 -2.766 1.00 1.56 H new ATOM 0 HE21 GLN A 125 2.542 -2.219 -2.706 1.00 2.82 H new ATOM 0 HE22 GLN A 125 2.244 -0.678 -3.516 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.515 -7.104 -3.570 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.809 -7.625 -4.093 1.00 0.72 C ATOM 1141 C ASN A 126 -2.811 -7.730 -2.945 1.00 0.69 C ATOM 1142 O ASN A 126 -2.506 -7.417 -1.810 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.590 -9.008 -4.714 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.537 -8.908 -5.820 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.827 -8.466 -6.913 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.683 -9.301 -5.578 1.00 0.88 N ATOM 0 H ASN A 126 -0.357 -7.257 -2.574 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.197 -6.947 -4.853 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.265 -9.714 -3.950 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.527 -9.388 -5.122 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.394 -9.237 -6.307 1.00 0.88 H new ATOM 0 HD22 ASN A 126 0.927 -9.672 -4.660 1.00 0.88 H new ATOM 1153 N TYR A 127 -4.007 -8.167 -3.229 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.041 -8.286 -2.162 1.00 0.61 C ATOM 1155 C TYR A 127 -6.148 -9.218 -2.657 1.00 0.63 C ATOM 1156 O TYR A 127 -6.174 -9.609 -3.807 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.659 -6.907 -1.856 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.588 -5.843 -1.755 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.130 -5.195 -2.910 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.059 -5.498 -0.505 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.144 -4.205 -2.815 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.073 -4.508 -0.410 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.615 -3.863 -1.564 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.644 -2.886 -1.469 1.00 1.48 O ATOM 0 H TYR A 127 -4.314 -8.448 -4.160 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.577 -8.679 -1.257 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.368 -6.641 -2.639 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.219 -6.955 -0.922 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.538 -5.459 -3.874 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.412 -5.996 0.386 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.792 -3.706 -3.706 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.666 -4.242 0.554 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.387 -2.771 -0.530 1.00 1.48 H new ATOM 1174 N THR A 128 -7.062 -9.583 -1.801 1.00 0.62 N ATOM 1175 CA THR A 128 -8.157 -10.492 -2.233 1.00 0.68 C ATOM 1176 C THR A 128 -8.993 -9.793 -3.320 1.00 0.75 C ATOM 1177 O THR A 128 -9.210 -8.599 -3.254 1.00 0.97 O ATOM 1178 CB THR A 128 -9.050 -10.818 -1.033 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.526 -9.609 -0.459 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.245 -11.598 0.006 1.00 0.90 C ATOM 0 H THR A 128 -7.097 -9.291 -0.824 1.00 0.62 H new ATOM 0 HA THR A 128 -7.735 -11.415 -2.631 1.00 0.68 H new ATOM 0 HB THR A 128 -9.896 -11.422 -1.361 1.00 0.86 H new ATOM 0 HG1 THR A 128 -10.099 -9.815 0.309 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.881 -11.830 0.860 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.880 -12.525 -0.437 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.398 -10.996 0.337 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.004 -5.332 2.229 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.057 -6.063 1.338 1.00 0.49 C ATOM 1251 C ARG A 134 -7.800 -6.450 2.117 1.00 0.40 C ATOM 1252 O ARG A 134 -6.958 -5.618 2.407 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.655 -5.182 0.152 1.00 0.58 C ATOM 1254 CG ARG A 134 -9.882 -4.459 -0.402 1.00 1.06 C ATOM 1255 CD ARG A 134 -9.465 -3.621 -1.610 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.906 -4.517 -2.661 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.747 -4.075 -3.878 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -9.056 -2.842 -4.171 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.274 -4.866 -4.802 1.00 3.36 N ATOM 0 HA ARG A 134 -9.554 -6.961 0.971 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -7.906 -4.455 0.466 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -8.200 -5.793 -0.628 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -10.646 -5.181 -0.691 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.321 -3.821 0.365 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -10.323 -3.074 -2.001 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.722 -2.880 -1.314 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.648 -5.476 -2.429 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -9.422 -2.222 -3.448 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.931 -2.497 -5.123 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.029 -5.829 -4.572 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.149 -4.521 -5.754 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.655 -7.705 2.447 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.441 -8.141 3.193 1.00 0.39 C ATOM 1275 C TYR A 135 -5.305 -8.381 2.185 1.00 0.36 C ATOM 1276 O TYR A 135 -5.552 -8.774 1.062 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.733 -9.449 3.932 1.00 0.46 C ATOM 1278 CG TYR A 135 -7.774 -9.216 5.000 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.135 -9.324 4.690 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.377 -8.904 6.306 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.098 -9.118 5.685 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.339 -8.697 7.300 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.701 -8.805 6.990 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.650 -8.605 7.972 1.00 1.17 O ATOM 0 H TYR A 135 -8.323 -8.445 2.233 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.156 -7.374 3.913 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.084 -10.204 3.228 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -5.818 -9.834 4.382 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.442 -9.566 3.683 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.327 -8.823 6.546 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.148 -9.201 5.445 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.032 -8.454 8.306 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.205 -8.398 8.820 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.069 -8.159 2.572 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.903 -8.372 1.664 1.00 0.38 C ATOM 1296 C PRO A 136 -2.637 -9.863 1.421 1.00 0.37 C ATOM 1297 O PRO A 136 -2.516 -10.640 2.348 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.735 -7.717 2.416 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.117 -7.803 3.859 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.643 -7.685 3.902 1.00 0.44 C ATOM 0 HA PRO A 136 -3.064 -7.947 0.673 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.797 -8.238 2.223 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.594 -6.682 2.105 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.787 -8.746 4.294 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.648 -7.005 4.435 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.069 -8.294 4.699 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.960 -6.658 4.081 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.551 -10.266 0.183 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.300 -11.705 -0.115 1.00 0.43 C ATOM 1310 C LEU A 137 -0.930 -12.112 0.440 1.00 0.41 C ATOM 1311 O LEU A 137 -0.819 -13.022 1.237 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.330 -11.926 -1.638 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.773 -12.176 -2.118 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.864 -11.867 -3.614 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.170 -13.644 -1.898 1.00 0.92 C ATOM 0 H LEU A 137 -2.643 -9.662 -0.634 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.073 -12.314 0.353 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.917 -11.055 -2.146 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.700 -12.776 -1.901 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.445 -11.533 -1.550 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.883 -12.042 -3.960 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.596 -10.825 -3.787 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.179 -12.514 -4.162 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.192 -13.800 -2.243 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.495 -14.291 -2.458 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.105 -13.883 -0.837 1.00 0.92 H new ATOM 1327 N THR A 138 0.116 -11.451 0.021 1.00 0.50 N ATOM 1328 CA THR A 138 1.470 -11.816 0.525 1.00 0.55 C ATOM 1329 C THR A 138 1.529 -11.578 2.032 1.00 0.47 C ATOM 1330 O THR A 138 0.821 -10.753 2.573 1.00 0.50 O ATOM 1331 CB THR A 138 2.536 -10.965 -0.180 1.00 0.73 C ATOM 1332 OG1 THR A 138 2.039 -9.650 -0.376 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.876 -11.589 -1.533 1.00 1.04 C ATOM 0 H THR A 138 0.091 -10.679 -0.645 1.00 0.50 H new ATOM 0 HA THR A 138 1.664 -12.868 0.316 1.00 0.55 H new ATOM 0 HB THR A 138 3.434 -10.926 0.436 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.177 -9.384 -1.309 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.633 -10.984 -2.033 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.259 -12.598 -1.382 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.979 -11.630 -2.150 1.00 1.04 H new ATOM 1341 N PHE A 139 2.371 -12.307 2.710 1.00 0.51 N ATOM 1342 CA PHE A 139 2.487 -12.151 4.189 1.00 0.49 C ATOM 1343 C PHE A 139 3.610 -11.170 4.526 1.00 0.65 C ATOM 1344 O PHE A 139 4.518 -10.952 3.750 1.00 1.43 O ATOM 1345 CB PHE A 139 2.805 -13.509 4.815 1.00 0.52 C ATOM 1346 CG PHE A 139 2.695 -13.409 6.320 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.454 -13.149 6.914 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.833 -13.572 7.123 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.349 -13.052 8.306 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.726 -13.476 8.516 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.485 -13.216 9.107 1.00 0.66 C ATOM 0 H PHE A 139 2.988 -13.009 2.301 1.00 0.51 H new ATOM 0 HA PHE A 139 1.545 -11.769 4.583 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.116 -14.265 4.439 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.809 -13.825 4.533 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.577 -13.023 6.297 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.792 -13.772 6.667 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.391 -12.851 8.762 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.602 -13.603 9.134 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.403 -13.142 10.181 1.00 0.66 H new ATOM 1361 N GLY A 140 3.554 -10.578 5.690 1.00 0.46 N ATOM 1362 CA GLY A 140 4.613 -9.611 6.105 1.00 0.43 C ATOM 1363 C GLY A 140 4.160 -8.187 5.785 1.00 0.35 C ATOM 1364 O GLY A 140 4.408 -7.261 6.532 1.00 0.32 O ATOM 0 H GLY A 140 2.814 -10.724 6.377 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.811 -9.709 7.172 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.545 -9.832 5.586 1.00 0.43 H new ATOM 1368 N TRP A 141 3.491 -8.004 4.683 1.00 0.34 N ATOM 1369 CA TRP A 141 3.014 -6.639 4.318 1.00 0.29 C ATOM 1370 C TRP A 141 1.806 -6.308 5.187 1.00 0.32 C ATOM 1371 O TRP A 141 0.689 -6.694 4.902 1.00 0.40 O ATOM 1372 CB TRP A 141 2.654 -6.625 2.827 1.00 0.33 C ATOM 1373 CG TRP A 141 2.413 -5.234 2.310 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.324 -4.882 1.586 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.236 -4.018 2.418 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.420 -3.551 1.237 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.569 -2.971 1.729 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.475 -3.712 3.035 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 3.100 -1.685 1.650 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 5.007 -2.412 2.953 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.321 -1.402 2.262 1.00 0.33 C ATOM 0 H TRP A 141 3.253 -8.740 4.018 1.00 0.34 H new ATOM 0 HA TRP A 141 3.785 -5.888 4.489 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.460 -7.087 2.257 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.762 -7.230 2.666 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.509 -5.540 1.323 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.723 -3.055 0.681 1.00 0.33 H new ATOM 0 HE3 TRP A 141 5.013 -4.480 3.570 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.568 -0.911 1.117 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.952 -2.190 3.426 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.738 -0.407 2.204 1.00 0.33 H new ATOM 1392 N CYS A 142 2.036 -5.624 6.273 1.00 0.31 N ATOM 1393 CA CYS A 142 0.928 -5.293 7.205 1.00 0.40 C ATOM 1394 C CYS A 142 0.113 -4.101 6.705 1.00 0.39 C ATOM 1395 O CYS A 142 -0.271 -3.241 7.473 1.00 0.48 O ATOM 1396 CB CYS A 142 1.523 -4.968 8.566 1.00 0.47 C ATOM 1397 SG CYS A 142 2.950 -3.877 8.355 1.00 1.45 S ATOM 0 H CYS A 142 2.953 -5.278 6.555 1.00 0.31 H new ATOM 0 HA CYS A 142 0.257 -6.149 7.271 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.775 -4.488 9.197 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.825 -5.885 9.071 1.00 0.47 H new ATOM 0 HG CYS A 142 2.678 -2.706 8.850 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.169 -4.054 5.434 1.00 0.38 N ATOM 1404 CA TYR A 143 -0.981 -2.929 4.870 1.00 0.40 C ATOM 1405 C TYR A 143 -2.289 -3.508 4.321 1.00 0.43 C ATOM 1406 O TYR A 143 -2.283 -4.329 3.425 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.182 -2.256 3.736 1.00 0.55 C ATOM 1408 CG TYR A 143 0.586 -1.060 4.265 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.084 0.143 4.516 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.963 -1.155 4.495 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.622 1.251 4.998 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.670 -0.046 4.975 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.999 1.156 5.227 1.00 3.52 C ATOM 1414 OH TYR A 143 2.697 2.249 5.701 1.00 4.57 O ATOM 0 H TYR A 143 0.129 -4.751 4.752 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.202 -2.188 5.638 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.510 -2.974 3.295 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.860 -1.939 2.944 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.147 0.216 4.338 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.480 -2.083 4.302 1.00 2.17 H new ATOM 0 HE1 TYR A 143 0.104 2.179 5.193 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.733 -0.118 5.151 1.00 3.14 H new ATOM 0 HH TYR A 143 3.642 2.013 5.806 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.409 -3.083 4.855 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.732 -3.597 4.376 1.00 0.51 C ATOM 1426 C LYS A 144 -5.622 -2.407 4.024 1.00 0.43 C ATOM 1427 O LYS A 144 -5.813 -1.502 4.812 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.390 -4.425 5.486 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.735 -3.517 6.676 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.965 -4.353 7.945 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.325 -5.057 7.870 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.410 -4.038 7.792 1.00 2.32 N ATOM 0 H LYS A 144 -3.464 -2.397 5.608 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.593 -4.226 3.497 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.293 -4.904 5.108 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -4.717 -5.221 5.807 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.926 -2.806 6.844 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.629 -2.936 6.450 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.170 -5.091 8.053 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.927 -3.711 8.825 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.361 -5.709 6.997 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.468 -5.689 8.746 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -9.262 -4.401 8.265 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.100 -3.164 8.262 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.626 -3.837 6.795 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.157 -2.393 2.835 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.026 -1.254 2.424 1.00 0.37 C ATOM 1448 C LEU A 145 -8.414 -1.425 3.047 1.00 0.38 C ATOM 1449 O LEU A 145 -8.790 -2.510 3.448 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.123 -1.221 0.896 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.771 -0.783 0.289 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.646 -1.323 -1.139 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.676 0.750 0.251 1.00 0.52 C ATOM 0 H LEU A 145 -6.031 -3.120 2.131 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.600 -0.313 2.771 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.398 -2.206 0.520 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.909 -0.532 0.588 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.967 -1.181 0.909 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.691 -1.012 -1.563 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.698 -2.412 -1.122 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.459 -0.930 -1.749 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.719 1.045 -0.179 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.486 1.150 -0.359 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.756 1.145 1.264 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.178 -0.365 3.139 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.538 -0.471 3.757 1.00 0.50 C ATOM 1467 C VAL A 146 -11.424 0.693 3.258 1.00 0.59 C ATOM 1468 O VAL A 146 -11.038 1.841 3.363 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.404 -0.341 5.288 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.792 -0.320 5.936 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.610 -1.522 5.857 1.00 0.56 C ATOM 0 H VAL A 146 -8.921 0.567 2.814 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.983 -1.429 3.486 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.879 0.589 5.507 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.687 -0.228 7.017 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.360 0.528 5.553 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.318 -1.245 5.700 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.524 -1.415 6.938 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.126 -2.453 5.624 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.614 -1.538 5.414 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.609 0.423 2.737 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.530 1.497 2.257 1.00 0.81 C ATOM 1483 C PRO A 147 -14.306 2.149 3.411 1.00 0.91 C ATOM 1484 O PRO A 147 -15.156 1.531 4.022 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.491 0.746 1.328 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.587 -0.621 1.925 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.208 -0.917 2.534 1.00 0.75 C ATOM 0 HA PRO A 147 -12.994 2.313 1.772 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.466 1.232 1.287 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.110 0.709 0.307 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.366 -0.660 2.686 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.845 -1.360 1.167 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.296 -1.461 3.474 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.600 -1.529 1.867 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.617 4.128 -0.836 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.022 3.220 0.210 1.00 0.52 C ATOM 1782 C LEU A 181 -8.845 3.894 0.925 1.00 0.47 C ATOM 1783 O LEU A 181 -8.170 4.724 0.365 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.507 1.939 -0.459 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.500 1.443 -1.510 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.929 0.200 -2.196 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.822 1.083 -0.832 1.00 0.87 C ATOM 0 HA LEU A 181 -10.800 2.993 0.939 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.541 2.130 -0.926 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.351 1.167 0.294 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.671 2.226 -2.249 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.634 -0.157 -2.947 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.984 0.452 -2.677 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.762 -0.581 -1.454 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.531 0.729 -1.581 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.651 0.298 -0.095 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.228 1.964 -0.336 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.584 3.514 2.159 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.425 4.087 2.923 1.00 0.45 C ATOM 1801 C GLU A 182 -6.468 2.971 3.352 1.00 0.42 C ATOM 1802 O GLU A 182 -6.875 1.878 3.700 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.926 4.819 4.170 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.937 3.943 4.909 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.326 4.616 6.227 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -9.191 5.826 6.314 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.753 3.912 7.127 1.00 1.62 O ATOM 0 H GLU A 182 -9.131 2.824 2.673 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.900 4.787 2.273 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.088 5.056 4.825 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.388 5.765 3.887 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.822 3.790 4.291 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.509 2.959 5.103 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.191 3.261 3.340 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.169 2.257 3.757 1.00 0.38 C ATOM 1816 C TRP A 183 -4.170 2.164 5.289 1.00 0.37 C ATOM 1817 O TRP A 183 -3.699 3.055 5.966 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.776 2.727 3.290 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.477 2.235 1.908 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.237 0.947 1.573 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.359 3.008 0.680 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.975 0.881 0.216 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.042 2.127 -0.379 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.496 4.376 0.389 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.865 2.590 -1.686 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.319 4.846 -0.924 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.004 3.954 -1.958 1.00 0.41 C ATOM 0 H TRP A 183 -4.810 4.163 3.055 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.399 1.287 3.317 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.731 3.816 3.310 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.015 2.364 3.981 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.248 0.108 2.253 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.759 0.019 -0.284 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.739 5.071 1.179 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.623 1.899 -2.480 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.426 5.899 -1.137 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.869 4.320 -2.965 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.677 1.095 5.843 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.684 0.961 7.333 1.00 0.35 C ATOM 1840 C ARG A 184 -3.451 0.168 7.776 1.00 0.31 C ATOM 1841 O ARG A 184 -3.423 -1.045 7.713 1.00 0.31 O ATOM 1842 CB ARG A 184 -5.953 0.230 7.780 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.128 0.373 9.302 1.00 0.98 C ATOM 1844 CD ARG A 184 -6.732 1.755 9.657 1.00 1.51 C ATOM 1845 NE ARG A 184 -5.942 2.398 10.757 1.00 1.57 N ATOM 1846 CZ ARG A 184 -5.616 1.734 11.836 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.045 0.516 12.014 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -4.878 2.304 12.749 1.00 2.61 N ATOM 0 H ARG A 184 -5.085 0.311 5.333 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.663 1.952 7.787 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.821 0.641 7.265 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.891 -0.824 7.509 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.777 -0.419 9.674 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.164 0.254 9.797 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -6.732 2.397 8.776 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.771 1.638 9.966 1.00 1.51 H new ATOM 0 HE ARG A 184 -5.653 3.372 10.662 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -6.638 0.076 11.310 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -5.788 0.003 12.857 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -4.558 3.264 12.620 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -4.622 1.790 13.592 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.431 0.851 8.226 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.194 0.148 8.680 1.00 0.31 C ATOM 1864 C PHE A 185 -1.495 -0.623 9.966 1.00 0.31 C ATOM 1865 O PHE A 185 -2.086 -0.100 10.889 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.096 1.185 8.944 1.00 0.40 C ATOM 1867 CG PHE A 185 1.120 0.530 9.568 1.00 0.44 C ATOM 1868 CD1 PHE A 185 1.127 0.205 10.932 1.00 0.65 C ATOM 1869 CD2 PHE A 185 2.250 0.262 8.782 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.258 -0.389 11.504 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.379 -0.330 9.358 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.384 -0.657 10.716 1.00 0.71 C ATOM 0 H PHE A 185 -2.401 1.868 8.299 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.859 -0.549 7.912 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.185 1.670 8.009 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.476 1.964 9.606 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.260 0.413 11.541 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.249 0.513 7.732 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.262 -0.641 12.554 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.249 -0.535 8.751 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.256 -1.116 11.158 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.100 -1.867 10.035 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.369 -2.674 11.253 1.00 0.32 C ATOM 1884 C ASP A 186 -0.298 -3.765 11.374 1.00 0.30 C ATOM 1885 O ASP A 186 -0.531 -4.918 11.066 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.754 -3.302 11.104 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.320 -3.668 12.479 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.281 -2.821 13.358 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -3.784 -4.786 12.628 1.00 1.23 O ATOM 0 H ASP A 186 -0.600 -2.358 9.294 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.340 -2.055 12.150 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.425 -2.606 10.600 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.692 -4.193 10.479 1.00 0.37 H new ATOM 1894 N SER A 187 0.883 -3.395 11.800 1.00 0.33 N ATOM 1895 CA SER A 187 2.002 -4.382 11.931 1.00 0.34 C ATOM 1896 C SER A 187 1.526 -5.656 12.642 1.00 0.35 C ATOM 1897 O SER A 187 2.251 -6.628 12.729 1.00 0.37 O ATOM 1898 CB SER A 187 3.130 -3.748 12.750 1.00 0.40 C ATOM 1899 OG SER A 187 3.870 -4.772 13.401 1.00 1.32 O ATOM 0 H SER A 187 1.124 -2.440 12.066 1.00 0.33 H new ATOM 0 HA SER A 187 2.353 -4.648 10.934 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.785 -3.167 12.100 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.717 -3.058 13.486 1.00 0.40 H new ATOM 0 HG SER A 187 3.655 -5.638 12.996 1.00 1.32 H new ATOM 1905 N ARG A 188 0.327 -5.670 13.154 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.161 -6.892 13.853 1.00 0.46 C ATOM 1907 C ARG A 188 -0.164 -8.063 12.869 1.00 0.42 C ATOM 1908 O ARG A 188 0.120 -9.190 13.224 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.586 -6.655 14.356 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.587 -5.531 15.400 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.021 -5.290 15.916 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.235 -3.828 16.160 1.00 2.37 N ATOM 1913 CZ ARG A 188 -2.366 -3.118 16.831 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -1.369 -3.692 17.444 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -2.529 -1.826 16.934 1.00 3.87 N ATOM 0 H ARG A 188 -0.333 -4.893 13.119 1.00 0.40 H new ATOM 0 HA ARG A 188 0.491 -7.118 14.697 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.237 -6.390 13.522 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.984 -7.571 14.793 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.932 -5.795 16.231 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.191 -4.615 14.961 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.745 -5.656 15.188 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.184 -5.849 16.837 1.00 1.75 H new ATOM 0 HE ARG A 188 -4.075 -3.378 15.796 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -1.261 -4.705 17.403 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -0.697 -3.128 17.964 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.331 -1.376 16.492 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -1.854 -1.267 17.456 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.478 -7.798 11.633 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.493 -8.882 10.612 1.00 0.46 C ATOM 1931 C LEU A 189 0.920 -9.451 10.470 1.00 0.41 C ATOM 1932 O LEU A 189 1.157 -10.369 9.710 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.961 -8.308 9.265 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.495 -8.178 9.241 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.905 -7.214 8.119 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.155 -9.550 8.994 1.00 1.78 C ATOM 0 H LEU A 189 -0.726 -6.872 11.284 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.176 -9.674 10.920 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.504 -7.332 9.100 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.632 -8.956 8.452 1.00 0.57 H new ATOM 0 HG LEU A 189 -2.827 -7.796 10.206 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -3.991 -7.120 8.099 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.459 -6.236 8.299 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.557 -7.601 7.161 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.239 -9.435 8.981 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.821 -9.947 8.036 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.873 -10.238 9.791 1.00 1.78 H new ATOM 1948 N ALA A 190 1.861 -8.914 11.198 1.00 0.37 N ATOM 1949 CA ALA A 190 3.257 -9.426 11.105 1.00 0.42 C ATOM 1950 C ALA A 190 3.354 -10.756 11.853 1.00 0.44 C ATOM 1951 O ALA A 190 4.388 -11.394 11.868 1.00 0.53 O ATOM 1952 CB ALA A 190 4.217 -8.420 11.743 1.00 0.47 C ATOM 0 H ALA A 190 1.723 -8.144 11.852 1.00 0.37 H new ATOM 0 HA ALA A 190 3.523 -9.568 10.058 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.238 -8.797 11.674 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.146 -7.467 11.219 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.953 -8.279 12.791 1.00 0.47 H new ATOM 1958 N PHE A 191 2.281 -11.175 12.479 1.00 0.42 N ATOM 1959 CA PHE A 191 2.304 -12.467 13.240 1.00 0.51 C ATOM 1960 C PHE A 191 1.013 -13.254 12.991 1.00 0.56 C ATOM 1961 O PHE A 191 0.983 -14.464 13.106 1.00 0.96 O ATOM 1962 CB PHE A 191 2.434 -12.170 14.736 1.00 0.58 C ATOM 1963 CG PHE A 191 3.539 -11.162 14.954 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.877 -11.547 14.797 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.228 -9.844 15.311 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.902 -10.614 14.997 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.254 -8.912 15.512 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.590 -9.297 15.354 1.00 3.15 C ATOM 0 H PHE A 191 1.390 -10.679 12.497 1.00 0.42 H new ATOM 0 HA PHE A 191 3.153 -13.062 12.903 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.492 -11.783 15.124 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.651 -13.088 15.283 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.118 -12.563 14.522 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.197 -9.546 15.431 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.933 -10.911 14.876 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.014 -7.896 15.789 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.381 -8.578 15.508 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.058 -12.587 12.656 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.338 -13.312 12.411 1.00 0.72 C ATOM 1980 C HIS A 192 -1.259 -14.055 11.077 1.00 0.67 C ATOM 1981 O HIS A 192 -0.189 -14.294 10.552 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.494 -12.312 12.373 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.460 -11.469 13.617 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -1.687 -11.809 14.716 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -3.094 -10.299 13.951 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -1.873 -10.859 15.650 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.721 -9.914 15.235 1.00 3.35 N ATOM 0 H HIS A 192 -0.102 -11.574 12.542 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.507 -14.029 13.214 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.415 -11.680 11.489 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.445 -12.840 12.303 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -3.779 -9.759 13.314 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -1.395 -10.860 16.618 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -3.029 -9.088 15.749 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.382 -14.431 10.527 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.362 -15.165 9.232 1.00 0.85 C ATOM 1997 C HIS A 193 -3.787 -15.281 8.684 1.00 0.74 C ATOM 1998 O HIS A 193 -4.306 -16.364 8.502 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.777 -16.563 9.457 1.00 1.28 C ATOM 2000 CG HIS A 193 -2.310 -17.130 10.746 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -1.509 -17.835 11.630 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -3.560 -17.103 11.312 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -2.278 -18.201 12.672 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -3.537 -17.781 12.528 1.00 3.87 N ATOM 0 H HIS A 193 -3.309 -14.262 10.918 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.748 -14.624 8.512 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -2.038 -17.216 8.625 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -0.689 -16.512 9.492 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -4.429 -16.628 10.880 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -1.920 -18.765 13.521 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -4.315 -17.926 13.171 1.00 3.87 H new ATOM 2012 N MET A 194 -4.422 -14.172 8.419 1.00 0.73 N ATOM 2013 CA MET A 194 -5.812 -14.218 7.881 1.00 0.79 C ATOM 2014 C MET A 194 -5.771 -14.501 6.378 1.00 0.75 C ATOM 2015 O MET A 194 -6.352 -15.456 5.903 1.00 0.90 O ATOM 2016 CB MET A 194 -6.500 -12.875 8.127 1.00 0.91 C ATOM 2017 CG MET A 194 -6.728 -12.687 9.627 1.00 1.47 C ATOM 2018 SD MET A 194 -7.599 -11.125 9.912 1.00 2.35 S ATOM 2019 CE MET A 194 -9.279 -11.795 9.899 1.00 2.94 C ATOM 0 H MET A 194 -4.039 -13.236 8.552 1.00 0.73 H new ATOM 0 HA MET A 194 -6.368 -15.009 8.384 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.886 -12.063 7.737 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.451 -12.839 7.596 1.00 0.91 H new ATOM 0 HG2 MET A 194 -7.310 -13.518 10.025 1.00 1.47 H new ATOM 0 HG3 MET A 194 -5.774 -12.685 10.154 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.994 -10.988 10.060 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.475 -12.266 8.936 1.00 2.94 H new ATOM 0 HE3 MET A 194 -9.382 -12.535 10.693 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.086 -13.682 5.624 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.012 -13.909 4.151 1.00 0.76 C ATOM 2031 C ALA A 195 -4.660 -15.375 3.884 1.00 0.90 C ATOM 2032 O ALA A 195 -5.134 -15.975 2.940 1.00 1.11 O ATOM 2033 CB ALA A 195 -3.937 -13.000 3.546 1.00 0.82 C ATOM 0 H ALA A 195 -4.575 -12.867 5.964 1.00 0.66 H new ATOM 0 HA ALA A 195 -5.975 -13.677 3.695 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -3.883 -13.166 2.470 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.190 -11.958 3.740 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -2.971 -13.228 3.997 1.00 0.82 H new