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 88 SER OG : rot -98:sc= 0.268! USER MOD Set 1.2: A 89 HIS : no HE2:sc= -0.892 K(o=-0.34,f=-5.9!) USER MOD Set 1.3: A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.4: A 187 SER OG : rot 148:sc= 0.28 USER MOD Set 2.1: A 135 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 144 LYS NZ :NH3+ -115:sc= 0.137 (180deg=0) USER MOD Set 3.1: A 125 GLN : amide:sc= -8.6! C(o=-8.6!,f=-17!) USER MOD Set 3.2: A 126 ASN : amide:sc= 0 X(o=-8.6,f=-9) USER MOD Single : A 79 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= -2.25! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 94 LYS NZ :NH3+ 156:sc= 1.13 (180deg=0.442!) USER MOD Single : A 102 HIS : no HD1:sc= -6.33! C(o=-6.3!,f=-9.2!) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.167 K(o=-0.17,f=0.66) USER MOD Single : A 107 GLN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 117 THR OG1 : rot -112:sc= 0.676 USER MOD Single : A 118 GLN : amide:sc= -3.92! K(o=-3.9!,f=-0.18) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 127 TYR OH : rot 120:sc= 0 USER MOD Single : A 128 THR OG1 : rot 29:sc= 0.315 USER MOD Single : A 138 THR OG1 : rot -139:sc= 1.17 USER MOD Single : A 142 CYS SG : rot 47:sc= -0.702 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -9.14! C(o=-9.1!,f=-6.7!) USER MOD Single : A 193 HIS : no HD1:sc= -0.313 X(o=-0.31,f=-0.81) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.070 -1.067 -9.844 1.00 1.04 N ATOM 275 CA VAL A 74 19.241 -1.592 -9.080 1.00 0.93 C ATOM 276 C VAL A 74 19.120 -3.118 -9.068 1.00 0.86 C ATOM 277 O VAL A 74 18.027 -3.638 -9.178 1.00 0.89 O ATOM 278 CB VAL A 74 19.199 -1.059 -7.635 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.539 0.438 -7.608 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.799 -1.277 -7.053 1.00 1.38 C ATOM 0 HA VAL A 74 20.179 -1.277 -9.537 1.00 0.93 H new ATOM 0 HB VAL A 74 19.935 -1.597 -7.037 1.00 1.09 H new ATOM 0 HG11 VAL A 74 19.505 0.800 -6.581 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.539 0.591 -8.014 1.00 1.17 H new ATOM 0 HG13 VAL A 74 18.815 0.987 -8.210 1.00 1.17 H new ATOM 0 HG21 VAL A 74 17.767 -0.901 -6.031 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.066 -0.744 -7.659 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.566 -2.342 -7.055 1.00 1.38 H new ATOM 290 N PRO A 75 20.211 -3.841 -8.944 1.00 0.93 N ATOM 291 CA PRO A 75 20.179 -5.331 -8.925 1.00 1.00 C ATOM 292 C PRO A 75 18.908 -5.868 -8.253 1.00 0.88 C ATOM 293 O PRO A 75 18.654 -5.619 -7.093 1.00 0.84 O ATOM 294 CB PRO A 75 21.429 -5.678 -8.123 1.00 1.18 C ATOM 295 CG PRO A 75 22.415 -4.605 -8.486 1.00 1.37 C ATOM 296 CD PRO A 75 21.594 -3.340 -8.813 1.00 1.13 C ATOM 0 HA PRO A 75 20.165 -5.773 -9.921 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.225 -5.685 -7.052 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.805 -6.668 -8.382 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.103 -4.417 -7.662 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.018 -4.907 -9.342 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.676 -2.594 -8.022 1.00 1.13 H new ATOM 0 HD3 PRO A 75 21.937 -2.867 -9.733 1.00 1.13 H new ATOM 304 N LEU A 76 18.096 -6.574 -8.993 1.00 0.86 N ATOM 305 CA LEU A 76 16.820 -7.099 -8.422 1.00 0.77 C ATOM 306 C LEU A 76 17.104 -8.033 -7.245 1.00 0.77 C ATOM 307 O LEU A 76 17.382 -9.202 -7.415 1.00 0.85 O ATOM 308 CB LEU A 76 16.058 -7.872 -9.503 1.00 0.84 C ATOM 309 CG LEU A 76 15.574 -6.913 -10.602 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.015 -7.731 -11.772 1.00 1.01 C ATOM 311 CD2 LEU A 76 14.476 -5.974 -10.056 1.00 0.76 C ATOM 0 H LEU A 76 18.261 -6.811 -9.971 1.00 0.86 H new ATOM 0 HA LEU A 76 16.222 -6.258 -8.071 1.00 0.77 H new ATOM 0 HB2 LEU A 76 16.703 -8.637 -9.936 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.206 -8.387 -9.059 1.00 0.84 H new ATOM 0 HG LEU A 76 16.414 -6.306 -10.939 1.00 0.87 H new ATOM 0 HD11 LEU A 76 14.670 -7.056 -12.555 1.00 1.01 H new ATOM 0 HD12 LEU A 76 15.796 -8.379 -12.169 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.181 -8.340 -11.424 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.145 -5.302 -10.848 1.00 0.76 H new ATOM 0 HD22 LEU A 76 13.631 -6.567 -9.707 1.00 0.76 H new ATOM 0 HD23 LEU A 76 14.876 -5.389 -9.228 1.00 0.76 H new ATOM 323 N ARG A 77 17.007 -7.525 -6.046 1.00 0.74 N ATOM 324 CA ARG A 77 17.237 -8.377 -4.845 1.00 0.79 C ATOM 325 C ARG A 77 15.930 -9.117 -4.521 1.00 0.71 C ATOM 326 O ARG A 77 14.860 -8.627 -4.822 1.00 0.73 O ATOM 327 CB ARG A 77 17.626 -7.481 -3.659 1.00 0.85 C ATOM 328 CG ARG A 77 18.683 -6.465 -4.100 1.00 1.19 C ATOM 329 CD ARG A 77 19.850 -7.195 -4.768 1.00 1.52 C ATOM 330 NE ARG A 77 20.159 -8.436 -4.007 1.00 2.13 N ATOM 331 CZ ARG A 77 20.902 -9.364 -4.545 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.374 -9.203 -5.750 1.00 2.73 N ATOM 333 NH2 ARG A 77 21.172 -10.453 -3.878 1.00 3.61 N ATOM 0 H ARG A 77 16.777 -6.551 -5.846 1.00 0.74 H new ATOM 0 HA ARG A 77 18.037 -9.093 -5.033 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.746 -6.962 -3.280 1.00 0.85 H new ATOM 0 HB3 ARG A 77 18.013 -8.091 -2.843 1.00 0.85 H new ATOM 0 HG2 ARG A 77 18.245 -5.747 -4.794 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.040 -5.899 -3.239 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.597 -7.441 -5.799 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.727 -6.548 -4.801 1.00 1.52 H new ATOM 0 HE ARG A 77 19.790 -8.561 -3.064 1.00 2.13 H new ATOM 0 HH11 ARG A 77 21.162 -8.352 -6.271 1.00 2.73 H new ATOM 0 HH12 ARG A 77 21.955 -9.928 -6.171 1.00 2.73 H new ATOM 0 HH21 ARG A 77 20.802 -10.579 -2.936 1.00 3.61 H new ATOM 0 HH22 ARG A 77 21.753 -11.178 -4.299 1.00 3.61 H new ATOM 347 N PRO A 78 15.994 -10.276 -3.908 1.00 0.79 N ATOM 348 CA PRO A 78 14.767 -11.045 -3.543 1.00 0.76 C ATOM 349 C PRO A 78 14.069 -10.436 -2.317 1.00 0.67 C ATOM 350 O PRO A 78 14.675 -10.243 -1.282 1.00 0.69 O ATOM 351 CB PRO A 78 15.304 -12.446 -3.234 1.00 0.86 C ATOM 352 CG PRO A 78 16.696 -12.214 -2.738 1.00 1.18 C ATOM 353 CD PRO A 78 17.222 -10.991 -3.500 1.00 1.06 C ATOM 0 HA PRO A 78 14.016 -11.042 -4.333 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.694 -12.948 -2.483 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.300 -13.077 -4.122 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.702 -12.035 -1.663 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.325 -13.086 -2.919 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.856 -10.369 -2.869 1.00 1.06 H new ATOM 0 HD3 PRO A 78 17.820 -11.284 -4.363 1.00 1.06 H new ATOM 361 N MET A 79 12.804 -10.126 -2.426 1.00 0.65 N ATOM 362 CA MET A 79 12.080 -9.523 -1.268 1.00 0.61 C ATOM 363 C MET A 79 11.980 -10.547 -0.132 1.00 0.51 C ATOM 364 O MET A 79 11.460 -11.631 -0.304 1.00 0.56 O ATOM 365 CB MET A 79 10.675 -9.097 -1.708 1.00 0.66 C ATOM 366 CG MET A 79 10.028 -8.247 -0.612 1.00 0.74 C ATOM 367 SD MET A 79 8.505 -7.500 -1.249 1.00 1.25 S ATOM 368 CE MET A 79 8.647 -5.907 -0.398 1.00 0.83 C ATOM 0 H MET A 79 12.241 -10.264 -3.265 1.00 0.65 H new ATOM 0 HA MET A 79 12.627 -8.649 -0.914 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.731 -8.529 -2.637 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.063 -9.977 -1.908 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.807 -8.864 0.259 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.718 -7.469 -0.285 1.00 0.74 H new ATOM 0 HE1 MET A 79 7.794 -5.280 -0.655 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.665 -6.070 0.680 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.568 -5.411 -0.705 1.00 0.83 H new ATOM 378 N THR A 80 12.488 -10.213 1.029 1.00 0.56 N ATOM 379 CA THR A 80 12.439 -11.168 2.180 1.00 0.60 C ATOM 380 C THR A 80 11.179 -10.959 3.006 1.00 0.56 C ATOM 381 O THR A 80 10.719 -9.852 3.187 1.00 0.50 O ATOM 382 CB THR A 80 13.671 -10.961 3.066 1.00 0.77 C ATOM 383 OG1 THR A 80 13.498 -9.797 3.859 1.00 0.94 O ATOM 384 CG2 THR A 80 14.912 -10.805 2.185 1.00 0.73 C ATOM 0 H THR A 80 12.935 -9.319 1.230 1.00 0.56 H new ATOM 0 HA THR A 80 12.429 -12.185 1.787 1.00 0.60 H new ATOM 0 HB THR A 80 13.797 -11.824 3.719 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.287 -9.667 4.426 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.789 -10.658 2.815 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.045 -11.703 1.582 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.787 -9.943 1.530 1.00 0.73 H new ATOM 392 N TYR A 81 10.628 -12.021 3.545 1.00 0.61 N ATOM 393 CA TYR A 81 9.420 -11.867 4.401 1.00 0.60 C ATOM 394 C TYR A 81 9.774 -10.792 5.425 1.00 0.51 C ATOM 395 O TYR A 81 9.010 -9.890 5.706 1.00 0.45 O ATOM 396 CB TYR A 81 9.101 -13.228 5.072 1.00 0.69 C ATOM 397 CG TYR A 81 8.704 -13.058 6.528 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.403 -12.664 6.860 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.643 -13.295 7.540 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.041 -12.507 8.205 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.282 -13.139 8.882 1.00 0.77 C ATOM 402 CZ TYR A 81 7.980 -12.745 9.216 1.00 0.73 C ATOM 403 OH TYR A 81 7.624 -12.592 10.540 1.00 0.90 O ATOM 0 H TYR A 81 10.962 -12.977 3.428 1.00 0.61 H new ATOM 0 HA TYR A 81 8.532 -11.574 3.841 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.294 -13.720 4.530 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.973 -13.879 5.006 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.678 -12.481 6.080 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.647 -13.599 7.284 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.037 -12.202 8.462 1.00 0.66 H new ATOM 0 HE2 TYR A 81 10.007 -13.322 9.661 1.00 0.77 H new ATOM 0 HH TYR A 81 8.393 -12.798 11.111 1.00 0.90 H new ATOM 413 N LYS A 82 10.968 -10.873 5.940 1.00 0.52 N ATOM 414 CA LYS A 82 11.436 -9.851 6.898 1.00 0.48 C ATOM 415 C LYS A 82 11.477 -8.502 6.179 1.00 0.40 C ATOM 416 O LYS A 82 11.262 -7.469 6.782 1.00 0.38 O ATOM 417 CB LYS A 82 12.839 -10.216 7.394 1.00 0.55 C ATOM 418 CG LYS A 82 13.171 -9.396 8.646 1.00 0.60 C ATOM 419 CD LYS A 82 14.669 -9.526 8.985 1.00 0.92 C ATOM 420 CE LYS A 82 15.492 -8.514 8.176 1.00 1.49 C ATOM 421 NZ LYS A 82 16.902 -8.521 8.661 1.00 2.32 N ATOM 0 H LYS A 82 11.640 -11.611 5.733 1.00 0.52 H new ATOM 0 HA LYS A 82 10.763 -9.799 7.754 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.890 -11.281 7.620 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.574 -10.020 6.613 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.917 -8.349 8.482 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.569 -9.742 9.486 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.823 -9.359 10.051 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.011 -10.538 8.768 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.459 -8.767 7.116 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.065 -7.516 8.279 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 17.461 -7.836 8.114 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.924 -8.261 9.668 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 17.306 -9.472 8.541 1.00 2.32 H new ATOM 435 N ALA A 83 11.760 -8.488 4.891 1.00 0.42 N ATOM 436 CA ALA A 83 11.809 -7.173 4.182 1.00 0.41 C ATOM 437 C ALA A 83 10.402 -6.571 4.100 1.00 0.35 C ATOM 438 O ALA A 83 10.230 -5.370 4.128 1.00 0.34 O ATOM 439 CB ALA A 83 12.381 -7.342 2.770 1.00 0.52 C ATOM 0 H ALA A 83 11.953 -9.309 4.318 1.00 0.42 H new ATOM 0 HA ALA A 83 12.458 -6.502 4.744 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.408 -6.374 2.270 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.391 -7.747 2.833 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.751 -8.026 2.202 1.00 0.52 H new ATOM 445 N ALA A 84 9.393 -7.394 3.999 1.00 0.34 N ATOM 446 CA ALA A 84 8.000 -6.864 3.913 1.00 0.31 C ATOM 447 C ALA A 84 7.644 -6.111 5.196 1.00 0.28 C ATOM 448 O ALA A 84 7.242 -4.965 5.163 1.00 0.28 O ATOM 449 CB ALA A 84 7.028 -8.030 3.723 1.00 0.34 C ATOM 0 H ALA A 84 9.472 -8.411 3.972 1.00 0.34 H new ATOM 0 HA ALA A 84 7.929 -6.180 3.068 1.00 0.31 H new ATOM 0 HB1 ALA A 84 6.009 -7.648 3.660 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.274 -8.562 2.804 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.108 -8.712 4.570 1.00 0.34 H new ATOM 455 N VAL A 85 7.776 -6.747 6.325 1.00 0.29 N ATOM 456 CA VAL A 85 7.431 -6.070 7.609 1.00 0.29 C ATOM 457 C VAL A 85 8.371 -4.890 7.849 1.00 0.29 C ATOM 458 O VAL A 85 7.946 -3.816 8.226 1.00 0.30 O ATOM 459 CB VAL A 85 7.552 -7.070 8.760 1.00 0.33 C ATOM 460 CG1 VAL A 85 6.789 -6.550 9.981 1.00 0.37 C ATOM 461 CG2 VAL A 85 6.962 -8.410 8.323 1.00 0.38 C ATOM 0 H VAL A 85 8.108 -7.707 6.416 1.00 0.29 H new ATOM 0 HA VAL A 85 6.407 -5.699 7.555 1.00 0.29 H new ATOM 0 HB VAL A 85 8.602 -7.197 9.023 1.00 0.33 H new ATOM 0 HG11 VAL A 85 6.878 -7.266 10.798 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.207 -5.592 10.291 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.737 -6.421 9.725 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.045 -9.128 9.139 1.00 0.38 H new ATOM 0 HG22 VAL A 85 5.912 -8.277 8.062 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.507 -8.782 7.456 1.00 0.38 H new ATOM 471 N ASP A 86 9.641 -5.070 7.633 1.00 0.30 N ATOM 472 CA ASP A 86 10.584 -3.945 7.852 1.00 0.32 C ATOM 473 C ASP A 86 10.182 -2.796 6.931 1.00 0.30 C ATOM 474 O ASP A 86 10.141 -1.649 7.328 1.00 0.31 O ATOM 475 CB ASP A 86 12.009 -4.395 7.524 1.00 0.36 C ATOM 476 CG ASP A 86 12.450 -5.462 8.528 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.623 -6.281 8.893 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.607 -5.440 8.914 1.00 1.05 O ATOM 0 H ASP A 86 10.064 -5.942 7.316 1.00 0.30 H new ATOM 0 HA ASP A 86 10.549 -3.622 8.893 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.052 -4.794 6.511 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.688 -3.543 7.560 1.00 0.36 H new ATOM 483 N LEU A 87 9.869 -3.102 5.704 1.00 0.29 N ATOM 484 CA LEU A 87 9.450 -2.040 4.751 1.00 0.30 C ATOM 485 C LEU A 87 8.185 -1.359 5.280 1.00 0.29 C ATOM 486 O LEU A 87 8.026 -0.160 5.172 1.00 0.30 O ATOM 487 CB LEU A 87 9.167 -2.672 3.382 1.00 0.33 C ATOM 488 CG LEU A 87 8.928 -1.581 2.325 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.257 -0.926 1.910 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.267 -2.211 1.091 1.00 0.44 C ATOM 0 H LEU A 87 9.886 -4.046 5.319 1.00 0.29 H new ATOM 0 HA LEU A 87 10.243 -1.299 4.649 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.007 -3.298 3.083 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.294 -3.321 3.448 1.00 0.33 H new ATOM 0 HG LEU A 87 8.279 -0.816 2.751 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.066 -0.157 1.162 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.728 -0.474 2.783 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.920 -1.683 1.491 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.095 -1.442 0.338 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.921 -2.981 0.681 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.315 -2.658 1.377 1.00 0.44 H new ATOM 502 N SER A 88 7.280 -2.112 5.849 1.00 0.30 N ATOM 503 CA SER A 88 6.030 -1.495 6.374 1.00 0.34 C ATOM 504 C SER A 88 6.371 -0.271 7.232 1.00 0.33 C ATOM 505 O SER A 88 5.903 0.824 6.984 1.00 0.36 O ATOM 506 CB SER A 88 5.274 -2.517 7.225 1.00 0.40 C ATOM 507 OG SER A 88 5.859 -2.573 8.520 1.00 0.44 O ATOM 0 H SER A 88 7.353 -3.122 5.972 1.00 0.30 H new ATOM 0 HA SER A 88 5.407 -1.183 5.536 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.223 -2.239 7.300 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.311 -3.499 6.753 1.00 0.40 H new ATOM 0 HG SER A 88 6.475 -3.334 8.568 1.00 0.44 H new ATOM 513 N HIS A 89 7.175 -0.446 8.245 1.00 0.34 N ATOM 514 CA HIS A 89 7.529 0.711 9.119 1.00 0.36 C ATOM 515 C HIS A 89 8.439 1.679 8.362 1.00 0.36 C ATOM 516 O HIS A 89 8.418 2.870 8.601 1.00 0.41 O ATOM 517 CB HIS A 89 8.255 0.205 10.376 1.00 0.41 C ATOM 518 CG HIS A 89 7.260 -0.346 11.361 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.776 0.406 12.421 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.661 -1.577 11.471 1.00 1.01 C ATOM 521 CE1 HIS A 89 5.928 -0.373 13.117 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.820 -1.592 12.580 1.00 0.82 N ATOM 0 H HIS A 89 7.601 -1.335 8.505 1.00 0.34 H new ATOM 0 HA HIS A 89 6.615 1.230 9.408 1.00 0.36 H new ATOM 0 HB2 HIS A 89 8.975 -0.567 10.104 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.818 1.019 10.833 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.019 1.373 12.634 1.00 1.43 H new ATOM 0 HD2 HIS A 89 6.819 -2.408 10.799 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.399 -0.052 14.002 1.00 1.27 H new ATOM 530 N PHE A 90 9.236 1.192 7.457 1.00 0.34 N ATOM 531 CA PHE A 90 10.130 2.115 6.711 1.00 0.37 C ATOM 532 C PHE A 90 9.274 3.170 6.005 1.00 0.40 C ATOM 533 O PHE A 90 9.425 4.355 6.222 1.00 0.47 O ATOM 534 CB PHE A 90 10.944 1.319 5.679 1.00 0.38 C ATOM 535 CG PHE A 90 12.193 2.089 5.308 1.00 0.47 C ATOM 536 CD1 PHE A 90 13.200 2.282 6.262 1.00 0.57 C ATOM 537 CD2 PHE A 90 12.344 2.610 4.016 1.00 0.59 C ATOM 538 CE1 PHE A 90 14.356 2.995 5.925 1.00 0.69 C ATOM 539 CE2 PHE A 90 13.502 3.321 3.680 1.00 0.70 C ATOM 540 CZ PHE A 90 14.507 3.514 4.634 1.00 0.72 C ATOM 0 H PHE A 90 9.308 0.207 7.203 1.00 0.34 H new ATOM 0 HA PHE A 90 10.818 2.606 7.399 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.214 0.345 6.088 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.341 1.135 4.790 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.084 1.881 7.258 1.00 0.57 H new ATOM 0 HD2 PHE A 90 11.567 2.463 3.280 1.00 0.59 H new ATOM 0 HE1 PHE A 90 15.132 3.145 6.661 1.00 0.69 H new ATOM 0 HE2 PHE A 90 13.620 3.721 2.684 1.00 0.70 H new ATOM 0 HZ PHE A 90 15.400 4.064 4.374 1.00 0.72 H new ATOM 550 N LEU A 91 8.376 2.744 5.160 1.00 0.37 N ATOM 551 CA LEU A 91 7.509 3.715 4.435 1.00 0.42 C ATOM 552 C LEU A 91 6.628 4.498 5.419 1.00 0.47 C ATOM 553 O LEU A 91 6.068 5.517 5.069 1.00 0.57 O ATOM 554 CB LEU A 91 6.613 2.963 3.442 1.00 0.41 C ATOM 555 CG LEU A 91 7.428 2.530 2.206 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.714 1.377 1.495 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.576 3.701 1.219 1.00 0.54 C ATOM 0 H LEU A 91 8.205 1.763 4.940 1.00 0.37 H new ATOM 0 HA LEU A 91 8.149 4.417 3.901 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.179 2.087 3.925 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.784 3.601 3.134 1.00 0.41 H new ATOM 0 HG LEU A 91 8.416 2.213 2.541 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.292 1.074 0.622 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.617 0.533 2.178 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.723 1.703 1.178 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.154 3.377 0.354 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.589 4.030 0.894 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.090 4.527 1.709 1.00 0.54 H new ATOM 569 N LYS A 92 6.474 4.041 6.638 1.00 0.45 N ATOM 570 CA LYS A 92 5.597 4.796 7.582 1.00 0.53 C ATOM 571 C LYS A 92 6.097 6.238 7.723 1.00 0.63 C ATOM 572 O LYS A 92 5.531 7.153 7.161 1.00 0.85 O ATOM 573 CB LYS A 92 5.594 4.126 8.956 1.00 0.54 C ATOM 574 CG LYS A 92 4.598 4.856 9.861 1.00 0.73 C ATOM 575 CD LYS A 92 4.375 4.054 11.146 1.00 1.20 C ATOM 576 CE LYS A 92 5.710 3.847 11.868 1.00 1.61 C ATOM 577 NZ LYS A 92 5.451 3.539 13.303 1.00 2.27 N ATOM 0 H LYS A 92 6.907 3.197 7.013 1.00 0.45 H new ATOM 0 HA LYS A 92 4.583 4.799 7.183 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.319 3.075 8.863 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.592 4.156 9.392 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.975 5.850 10.103 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.651 4.992 9.338 1.00 0.73 H new ATOM 0 HD2 LYS A 92 3.677 4.580 11.797 1.00 1.20 H new ATOM 0 HD3 LYS A 92 3.926 3.089 10.910 1.00 1.20 H new ATOM 0 HE2 LYS A 92 6.265 3.032 11.404 1.00 1.61 H new ATOM 0 HE3 LYS A 92 6.326 4.742 11.782 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 6.356 3.398 13.796 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 4.938 4.330 13.741 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 4.879 2.673 13.375 1.00 2.27 H new ATOM 591 N GLU A 93 7.142 6.456 8.469 1.00 0.62 N ATOM 592 CA GLU A 93 7.649 7.850 8.637 1.00 0.76 C ATOM 593 C GLU A 93 8.168 8.371 7.294 1.00 0.77 C ATOM 594 O GLU A 93 7.965 9.516 6.940 1.00 1.05 O ATOM 595 CB GLU A 93 8.785 7.858 9.664 1.00 0.94 C ATOM 596 CG GLU A 93 8.281 7.285 10.991 1.00 1.22 C ATOM 597 CD GLU A 93 7.369 8.305 11.676 1.00 2.00 C ATOM 598 OE1 GLU A 93 7.882 9.307 12.144 1.00 2.73 O ATOM 599 OE2 GLU A 93 6.174 8.065 11.720 1.00 2.54 O ATOM 0 H GLU A 93 7.666 5.737 8.968 1.00 0.62 H new ATOM 0 HA GLU A 93 6.840 8.492 8.985 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.625 7.268 9.297 1.00 0.94 H new ATOM 0 HB3 GLU A 93 9.150 8.875 9.810 1.00 0.94 H new ATOM 0 HG2 GLU A 93 7.738 6.357 10.815 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.124 7.043 11.638 1.00 1.22 H new ATOM 606 N LYS A 94 8.826 7.535 6.544 1.00 0.80 N ATOM 607 CA LYS A 94 9.354 7.961 5.220 1.00 1.02 C ATOM 608 C LYS A 94 8.226 7.899 4.195 1.00 0.96 C ATOM 609 O LYS A 94 8.387 7.387 3.105 1.00 1.41 O ATOM 610 CB LYS A 94 10.494 7.029 4.800 1.00 1.39 C ATOM 611 CG LYS A 94 11.580 7.039 5.879 1.00 1.63 C ATOM 612 CD LYS A 94 12.869 6.430 5.321 1.00 2.18 C ATOM 613 CE LYS A 94 13.958 6.473 6.396 1.00 2.61 C ATOM 614 NZ LYS A 94 15.262 6.063 5.801 1.00 2.96 N ATOM 0 H LYS A 94 9.023 6.566 6.794 1.00 0.80 H new ATOM 0 HA LYS A 94 9.735 8.980 5.281 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.117 6.016 4.657 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.910 7.352 3.846 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.764 8.060 6.214 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.247 6.474 6.749 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.692 5.401 5.008 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.192 6.981 4.438 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.035 7.478 6.810 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.697 5.808 7.220 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 16.041 6.462 6.363 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.332 5.025 5.799 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 15.324 6.416 4.825 1.00 2.96 H new ATOM 628 N GLY A 95 7.077 8.412 4.551 1.00 1.12 N ATOM 629 CA GLY A 95 5.897 8.388 3.621 1.00 1.51 C ATOM 630 C GLY A 95 4.678 7.827 4.373 1.00 1.10 C ATOM 631 O GLY A 95 4.253 6.714 4.140 1.00 1.71 O ATOM 0 H GLY A 95 6.899 8.852 5.454 1.00 1.12 H new ATOM 0 HA2 GLY A 95 5.685 9.393 3.256 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.117 7.772 2.749 1.00 1.51 H new ATOM 635 N GLY A 96 4.123 8.590 5.279 1.00 1.17 N ATOM 636 CA GLY A 96 2.943 8.103 6.060 1.00 0.99 C ATOM 637 C GLY A 96 1.824 7.637 5.119 1.00 0.81 C ATOM 638 O GLY A 96 0.913 8.377 4.806 1.00 0.83 O ATOM 0 H GLY A 96 4.436 9.532 5.513 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.245 7.281 6.709 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.574 8.900 6.705 1.00 0.99 H new ATOM 642 N LEU A 97 1.868 6.409 4.678 1.00 0.67 N ATOM 643 CA LEU A 97 0.795 5.907 3.775 1.00 0.55 C ATOM 644 C LEU A 97 -0.434 5.557 4.626 1.00 0.46 C ATOM 645 O LEU A 97 -1.544 5.468 4.141 1.00 0.49 O ATOM 646 CB LEU A 97 1.312 4.656 3.045 1.00 0.54 C ATOM 647 CG LEU A 97 0.306 4.183 1.980 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.441 5.019 0.704 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.579 2.713 1.640 1.00 0.66 C ATOM 0 H LEU A 97 2.599 5.734 4.904 1.00 0.67 H new ATOM 0 HA LEU A 97 0.520 6.663 3.039 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.270 4.876 2.573 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.487 3.857 3.765 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.702 4.299 2.378 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.278 4.670 -0.037 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.246 6.067 0.933 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.451 4.916 0.307 1.00 0.65 H new ATOM 0 HD21 LEU A 97 -0.132 2.376 0.886 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.593 2.611 1.254 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.470 2.106 2.538 1.00 0.66 H new ATOM 661 N GLU A 98 -0.239 5.370 5.901 1.00 0.44 N ATOM 662 CA GLU A 98 -1.381 5.032 6.800 1.00 0.40 C ATOM 663 C GLU A 98 -2.534 6.017 6.604 1.00 0.40 C ATOM 664 O GLU A 98 -2.340 7.187 6.342 1.00 0.58 O ATOM 665 CB GLU A 98 -0.912 5.098 8.256 1.00 0.49 C ATOM 666 CG GLU A 98 -2.062 4.717 9.200 1.00 0.48 C ATOM 667 CD GLU A 98 -2.973 5.926 9.433 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.450 7.018 9.582 1.00 2.03 O ATOM 669 OE2 GLU A 98 -4.179 5.739 9.456 1.00 1.94 O ATOM 0 H GLU A 98 0.668 5.437 6.363 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.730 4.028 6.558 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.070 4.423 8.406 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.559 6.103 8.487 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.637 3.895 8.773 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.661 4.365 10.151 1.00 0.48 H new ATOM 676 N GLY A 99 -3.730 5.533 6.763 1.00 0.39 N ATOM 677 CA GLY A 99 -4.943 6.395 6.629 1.00 0.42 C ATOM 678 C GLY A 99 -4.864 7.285 5.381 1.00 0.42 C ATOM 679 O GLY A 99 -5.672 8.175 5.201 1.00 0.46 O ATOM 0 H GLY A 99 -3.927 4.557 6.985 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.833 5.768 6.574 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.047 7.019 7.517 1.00 0.42 H new ATOM 683 N LEU A 100 -3.911 7.065 4.519 1.00 0.41 N ATOM 684 CA LEU A 100 -3.812 7.916 3.293 1.00 0.43 C ATOM 685 C LEU A 100 -4.871 7.461 2.281 1.00 0.42 C ATOM 686 O LEU A 100 -4.684 6.496 1.566 1.00 0.44 O ATOM 687 CB LEU A 100 -2.400 7.774 2.696 1.00 0.45 C ATOM 688 CG LEU A 100 -2.037 8.974 1.796 1.00 0.55 C ATOM 689 CD1 LEU A 100 -3.043 9.095 0.644 1.00 1.15 C ATOM 690 CD2 LEU A 100 -2.008 10.283 2.616 1.00 1.17 C ATOM 0 H LEU A 100 -3.200 6.339 4.606 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.987 8.963 3.542 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.671 7.690 3.502 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.341 6.853 2.116 1.00 0.45 H new ATOM 0 HG LEU A 100 -1.043 8.805 1.382 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -2.776 9.945 0.016 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -3.024 8.183 0.047 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -4.044 9.243 1.049 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.750 11.116 1.962 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -2.989 10.458 3.057 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.264 10.200 3.408 1.00 1.17 H new ATOM 702 N ILE A 101 -5.990 8.140 2.221 1.00 0.44 N ATOM 703 CA ILE A 101 -7.062 7.733 1.266 1.00 0.45 C ATOM 704 C ILE A 101 -6.479 7.610 -0.150 1.00 0.46 C ATOM 705 O ILE A 101 -6.092 8.584 -0.766 1.00 0.49 O ATOM 706 CB ILE A 101 -8.201 8.771 1.309 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.065 8.543 2.575 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.077 8.669 0.053 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.116 7.434 2.350 1.00 0.52 C ATOM 0 H ILE A 101 -6.206 8.957 2.792 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.465 6.761 1.551 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.763 9.769 1.342 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.422 8.272 3.412 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.567 9.472 2.847 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.874 9.410 0.104 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.467 8.852 -0.832 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.512 7.672 -0.007 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.704 7.300 3.258 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.775 7.718 1.529 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.612 6.500 2.104 1.00 0.52 H new ATOM 721 N HIS A 102 -6.425 6.405 -0.661 1.00 0.47 N ATOM 722 CA HIS A 102 -5.879 6.186 -2.032 1.00 0.51 C ATOM 723 C HIS A 102 -6.769 6.900 -3.048 1.00 0.58 C ATOM 724 O HIS A 102 -7.892 6.496 -3.294 1.00 0.64 O ATOM 725 CB HIS A 102 -5.861 4.683 -2.335 1.00 0.57 C ATOM 726 CG HIS A 102 -5.244 4.445 -3.685 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.907 5.484 -4.537 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.899 3.292 -4.346 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.387 4.941 -5.652 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.359 3.608 -5.588 1.00 0.70 N ATOM 0 H HIS A 102 -6.738 5.560 -0.183 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.865 6.582 -2.093 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.295 4.154 -1.568 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.876 4.286 -2.313 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.027 2.292 -3.960 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -4.035 5.514 -6.497 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.015 2.961 -6.297 1.00 0.70 H new ATOM 738 N SER A 103 -6.282 7.965 -3.629 1.00 0.60 N ATOM 739 CA SER A 103 -7.102 8.721 -4.621 1.00 0.69 C ATOM 740 C SER A 103 -7.301 7.893 -5.896 1.00 0.76 C ATOM 741 O SER A 103 -8.284 7.194 -6.039 1.00 0.85 O ATOM 742 CB SER A 103 -6.409 10.042 -4.968 1.00 0.74 C ATOM 743 OG SER A 103 -6.052 10.717 -3.768 1.00 1.49 O ATOM 0 H SER A 103 -5.351 8.344 -3.459 1.00 0.60 H new ATOM 0 HA SER A 103 -8.078 8.927 -4.181 1.00 0.69 H new ATOM 0 HB2 SER A 103 -5.520 9.852 -5.570 1.00 0.74 H new ATOM 0 HB3 SER A 103 -7.072 10.667 -5.567 1.00 0.74 H new ATOM 0 HG SER A 103 -5.607 11.562 -3.988 1.00 1.49 H new ATOM 749 N GLN A 104 -6.389 7.979 -6.840 1.00 0.81 N ATOM 750 CA GLN A 104 -6.549 7.210 -8.116 1.00 0.92 C ATOM 751 C GLN A 104 -5.187 6.708 -8.609 1.00 0.93 C ATOM 752 O GLN A 104 -5.115 5.823 -9.438 1.00 1.37 O ATOM 753 CB GLN A 104 -7.148 8.129 -9.189 1.00 1.06 C ATOM 754 CG GLN A 104 -8.632 8.372 -8.908 1.00 1.76 C ATOM 755 CD GLN A 104 -9.422 7.093 -9.185 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.673 6.313 -8.288 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.828 6.842 -10.401 1.00 2.70 N ATOM 0 H GLN A 104 -5.544 8.547 -6.781 1.00 0.81 H new ATOM 0 HA GLN A 104 -7.205 6.359 -7.932 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -6.613 9.079 -9.205 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -7.026 7.678 -10.174 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -8.771 8.680 -7.872 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -9.003 9.184 -9.534 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.617 7.497 -11.154 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.356 5.991 -10.597 1.00 2.70 H new ATOM 766 N ARG A 105 -4.106 7.272 -8.128 1.00 0.83 N ATOM 767 CA ARG A 105 -2.754 6.829 -8.598 1.00 0.87 C ATOM 768 C ARG A 105 -1.763 6.820 -7.427 1.00 0.74 C ATOM 769 O ARG A 105 -0.584 6.575 -7.606 1.00 0.70 O ATOM 770 CB ARG A 105 -2.262 7.788 -9.694 1.00 1.06 C ATOM 771 CG ARG A 105 -2.705 9.219 -9.366 1.00 1.71 C ATOM 772 CD ARG A 105 -2.132 10.193 -10.401 1.00 1.99 C ATOM 773 NE ARG A 105 -2.936 11.448 -10.393 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.477 12.523 -10.972 1.00 3.60 C ATOM 775 NH1 ARG A 105 -1.312 12.501 -11.559 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.184 13.620 -10.966 1.00 4.61 N ATOM 0 H ARG A 105 -4.100 8.018 -7.432 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.824 5.819 -9.001 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -1.176 7.742 -9.770 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -2.663 7.486 -10.662 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.793 9.280 -9.360 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.365 9.494 -8.368 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -1.089 10.414 -10.172 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.152 9.741 -11.393 1.00 1.99 H new ATOM 0 HE ARG A 105 -3.847 11.466 -9.934 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -0.760 11.643 -11.565 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -0.953 13.342 -12.012 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -4.096 13.637 -10.509 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -2.825 14.461 -11.419 1.00 4.61 H new ATOM 790 N ARG A 106 -2.221 7.071 -6.232 1.00 0.71 N ATOM 791 CA ARG A 106 -1.286 7.053 -5.073 1.00 0.65 C ATOM 792 C ARG A 106 -0.606 5.679 -5.026 1.00 0.54 C ATOM 793 O ARG A 106 0.517 5.546 -4.583 1.00 0.50 O ATOM 794 CB ARG A 106 -2.071 7.318 -3.766 1.00 0.70 C ATOM 795 CG ARG A 106 -1.868 8.769 -3.303 1.00 1.01 C ATOM 796 CD ARG A 106 -2.464 9.728 -4.333 1.00 1.24 C ATOM 797 NE ARG A 106 -2.545 11.098 -3.751 1.00 1.86 N ATOM 798 CZ ARG A 106 -2.735 12.128 -4.530 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.856 11.958 -5.820 1.00 2.86 N ATOM 800 NH2 ARG A 106 -2.804 13.328 -4.021 1.00 3.29 N ATOM 0 H ARG A 106 -3.193 7.286 -6.009 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.530 7.831 -5.179 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -3.132 7.126 -3.926 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.737 6.631 -2.988 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.342 8.921 -2.334 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.805 8.974 -3.174 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.849 9.740 -5.233 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.456 9.389 -4.630 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.452 11.231 -2.744 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -2.802 11.020 -6.218 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -3.004 12.763 -6.429 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.709 13.461 -3.014 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -2.952 14.133 -4.630 1.00 3.29 H new ATOM 814 N GLN A 107 -1.277 4.661 -5.488 1.00 0.55 N ATOM 815 CA GLN A 107 -0.664 3.304 -5.478 1.00 0.52 C ATOM 816 C GLN A 107 0.560 3.308 -6.395 1.00 0.49 C ATOM 817 O GLN A 107 1.564 2.687 -6.111 1.00 0.44 O ATOM 818 CB GLN A 107 -1.683 2.274 -5.979 1.00 0.63 C ATOM 819 CG GLN A 107 -0.993 0.924 -6.189 1.00 1.11 C ATOM 820 CD GLN A 107 -2.050 -0.171 -6.343 1.00 1.53 C ATOM 821 OE1 GLN A 107 -2.948 -0.054 -7.154 1.00 2.13 O ATOM 822 NE2 GLN A 107 -1.982 -1.237 -5.594 1.00 2.12 N ATOM 0 H GLN A 107 -2.221 4.710 -5.871 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.364 3.041 -4.464 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.494 2.170 -5.258 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.129 2.614 -6.914 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -0.361 0.961 -7.076 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -0.343 0.700 -5.343 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -1.228 -1.335 -4.914 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.682 -1.972 -5.689 1.00 2.12 H new ATOM 831 N ASP A 108 0.487 4.011 -7.493 1.00 0.56 N ATOM 832 CA ASP A 108 1.651 4.059 -8.420 1.00 0.59 C ATOM 833 C ASP A 108 2.872 4.572 -7.658 1.00 0.54 C ATOM 834 O ASP A 108 3.891 3.915 -7.585 1.00 0.54 O ATOM 835 CB ASP A 108 1.339 5.003 -9.585 1.00 0.72 C ATOM 836 CG ASP A 108 0.097 4.507 -10.328 1.00 0.81 C ATOM 837 OD1 ASP A 108 -0.432 3.480 -9.937 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.303 5.162 -11.276 1.00 1.33 O ATOM 0 H ASP A 108 -0.326 4.552 -7.786 1.00 0.56 H new ATOM 0 HA ASP A 108 1.853 3.062 -8.811 1.00 0.59 H new ATOM 0 HB2 ASP A 108 1.173 6.014 -9.213 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.189 5.050 -10.266 1.00 0.72 H new ATOM 843 N ILE A 109 2.774 5.738 -7.079 1.00 0.55 N ATOM 844 CA ILE A 109 3.928 6.288 -6.309 1.00 0.54 C ATOM 845 C ILE A 109 4.452 5.212 -5.354 1.00 0.47 C ATOM 846 O ILE A 109 5.643 5.030 -5.200 1.00 0.53 O ATOM 847 CB ILE A 109 3.467 7.509 -5.496 1.00 0.59 C ATOM 848 CG1 ILE A 109 3.105 8.676 -6.440 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.570 7.945 -4.523 1.00 0.63 C ATOM 850 CD1 ILE A 109 4.294 9.064 -7.336 1.00 1.47 C ATOM 0 H ILE A 109 1.946 6.333 -7.105 1.00 0.55 H new ATOM 0 HA ILE A 109 4.718 6.588 -6.997 1.00 0.54 H new ATOM 0 HB ILE A 109 2.581 7.231 -4.925 1.00 0.59 H new ATOM 0 HG12 ILE A 109 2.256 8.393 -7.062 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.794 9.539 -5.851 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.231 8.810 -3.953 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.797 7.127 -3.840 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.467 8.208 -5.084 1.00 0.63 H new ATOM 0 HD11 ILE A 109 4.005 9.888 -7.988 1.00 1.47 H new ATOM 0 HD12 ILE A 109 5.134 9.372 -6.713 1.00 1.47 H new ATOM 0 HD13 ILE A 109 4.587 8.207 -7.943 1.00 1.47 H new ATOM 862 N LEU A 110 3.569 4.503 -4.708 1.00 0.43 N ATOM 863 CA LEU A 110 4.015 3.446 -3.761 1.00 0.39 C ATOM 864 C LEU A 110 4.865 2.411 -4.506 1.00 0.38 C ATOM 865 O LEU A 110 6.071 2.374 -4.373 1.00 0.38 O ATOM 866 CB LEU A 110 2.786 2.763 -3.153 1.00 0.42 C ATOM 867 CG LEU A 110 3.212 1.813 -2.023 1.00 0.44 C ATOM 868 CD1 LEU A 110 3.787 2.609 -0.833 1.00 0.56 C ATOM 869 CD2 LEU A 110 1.988 1.008 -1.568 1.00 0.66 C ATOM 0 H LEU A 110 2.558 4.610 -4.795 1.00 0.43 H new ATOM 0 HA LEU A 110 4.613 3.895 -2.968 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.097 3.514 -2.766 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.251 2.207 -3.923 1.00 0.42 H new ATOM 0 HG LEU A 110 3.987 1.140 -2.390 1.00 0.44 H new ATOM 0 HD11 LEU A 110 4.083 1.919 -0.043 1.00 0.56 H new ATOM 0 HD12 LEU A 110 4.656 3.178 -1.162 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.028 3.293 -0.452 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.277 0.329 -0.766 1.00 0.66 H new ATOM 0 HD22 LEU A 110 1.218 1.690 -1.207 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.598 0.432 -2.408 1.00 0.66 H new ATOM 881 N ASP A 111 4.245 1.570 -5.286 1.00 0.40 N ATOM 882 CA ASP A 111 5.011 0.530 -6.035 1.00 0.42 C ATOM 883 C ASP A 111 6.147 1.175 -6.839 1.00 0.43 C ATOM 884 O ASP A 111 7.247 0.661 -6.896 1.00 0.42 O ATOM 885 CB ASP A 111 4.065 -0.198 -6.993 1.00 0.50 C ATOM 886 CG ASP A 111 2.968 -0.899 -6.190 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.218 -1.223 -5.040 1.00 1.19 O ATOM 888 OD2 ASP A 111 1.896 -1.099 -6.737 1.00 1.30 O ATOM 0 H ASP A 111 3.237 1.557 -5.439 1.00 0.40 H new ATOM 0 HA ASP A 111 5.440 -0.175 -5.323 1.00 0.42 H new ATOM 0 HB2 ASP A 111 3.622 0.511 -7.693 1.00 0.50 H new ATOM 0 HB3 ASP A 111 4.619 -0.926 -7.585 1.00 0.50 H new ATOM 893 N LEU A 112 5.889 2.285 -7.475 1.00 0.48 N ATOM 894 CA LEU A 112 6.951 2.947 -8.291 1.00 0.52 C ATOM 895 C LEU A 112 8.102 3.402 -7.391 1.00 0.48 C ATOM 896 O LEU A 112 9.238 3.023 -7.592 1.00 0.47 O ATOM 897 CB LEU A 112 6.347 4.160 -9.011 1.00 0.60 C ATOM 898 CG LEU A 112 7.253 4.601 -10.172 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.529 5.679 -10.986 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.585 5.165 -9.631 1.00 1.26 C ATOM 0 H LEU A 112 4.988 2.764 -7.466 1.00 0.48 H new ATOM 0 HA LEU A 112 7.339 2.238 -9.023 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.356 3.910 -9.390 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.221 4.983 -8.307 1.00 0.60 H new ATOM 0 HG LEU A 112 7.472 3.741 -10.804 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.164 5.999 -11.812 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.597 5.273 -11.380 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.310 6.533 -10.345 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.215 5.473 -10.465 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.383 6.025 -8.992 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.098 4.396 -9.053 1.00 1.26 H new ATOM 912 N TRP A 113 7.825 4.217 -6.408 1.00 0.48 N ATOM 913 CA TRP A 113 8.916 4.701 -5.510 1.00 0.48 C ATOM 914 C TRP A 113 9.813 3.527 -5.105 1.00 0.43 C ATOM 915 O TRP A 113 11.023 3.632 -5.111 1.00 0.45 O ATOM 916 CB TRP A 113 8.301 5.339 -4.260 1.00 0.52 C ATOM 917 CG TRP A 113 9.385 5.750 -3.314 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.000 6.955 -3.307 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.987 4.978 -2.238 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.941 6.971 -2.293 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.971 5.774 -1.606 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.777 3.676 -1.753 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.721 5.293 -0.530 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.527 3.187 -0.673 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.498 3.995 -0.062 1.00 0.67 C ATOM 0 H TRP A 113 6.893 4.568 -6.188 1.00 0.48 H new ATOM 0 HA TRP A 113 9.517 5.442 -6.037 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.703 6.206 -4.540 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.630 4.632 -3.773 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.791 7.771 -3.983 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.539 7.769 -2.079 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.032 3.046 -2.216 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.467 5.919 -0.064 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.356 2.184 -0.310 1.00 0.58 H new ATOM 0 HH2 TRP A 113 12.073 3.614 0.769 1.00 0.67 H new ATOM 936 N ILE A 114 9.236 2.408 -4.766 1.00 0.39 N ATOM 937 CA ILE A 114 10.071 1.238 -4.380 1.00 0.37 C ATOM 938 C ILE A 114 10.963 0.838 -5.560 1.00 0.39 C ATOM 939 O ILE A 114 12.095 0.433 -5.383 1.00 0.44 O ATOM 940 CB ILE A 114 9.167 0.062 -3.988 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.293 0.480 -2.800 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.034 -1.143 -3.591 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.345 -0.657 -2.422 1.00 1.00 C ATOM 0 H ILE A 114 8.228 2.254 -4.740 1.00 0.39 H new ATOM 0 HA ILE A 114 10.697 1.504 -3.528 1.00 0.37 H new ATOM 0 HB ILE A 114 8.534 -0.215 -4.832 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.922 0.738 -1.948 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.721 1.372 -3.055 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.391 -1.978 -3.313 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.661 -1.433 -4.434 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.666 -0.874 -2.744 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.728 -0.351 -1.577 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.705 -0.894 -3.272 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.925 -1.538 -2.147 1.00 1.00 H new ATOM 955 N TYR A 115 10.459 0.935 -6.763 1.00 0.40 N ATOM 956 CA TYR A 115 11.277 0.543 -7.949 1.00 0.46 C ATOM 957 C TYR A 115 12.486 1.483 -8.105 1.00 0.51 C ATOM 958 O TYR A 115 13.622 1.059 -8.050 1.00 0.54 O ATOM 959 CB TYR A 115 10.396 0.598 -9.213 1.00 0.53 C ATOM 960 CG TYR A 115 10.909 -0.383 -10.250 1.00 0.59 C ATOM 961 CD1 TYR A 115 10.876 -1.758 -9.984 1.00 0.56 C ATOM 962 CD2 TYR A 115 11.416 0.080 -11.472 1.00 0.74 C ATOM 963 CE1 TYR A 115 11.349 -2.669 -10.938 1.00 0.65 C ATOM 964 CE2 TYR A 115 11.889 -0.831 -12.425 1.00 0.82 C ATOM 965 CZ TYR A 115 11.855 -2.205 -12.158 1.00 0.77 C ATOM 966 OH TYR A 115 12.322 -3.103 -13.097 1.00 0.87 O ATOM 0 H TYR A 115 9.518 1.268 -6.975 1.00 0.40 H new ATOM 0 HA TYR A 115 11.650 -0.471 -7.807 1.00 0.46 H new ATOM 0 HB2 TYR A 115 9.363 0.361 -8.956 1.00 0.53 H new ATOM 0 HB3 TYR A 115 10.399 1.608 -9.624 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.486 -2.116 -9.043 1.00 0.56 H new ATOM 0 HD2 TYR A 115 11.442 1.140 -11.679 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.323 -3.729 -10.732 1.00 0.65 H new ATOM 0 HE2 TYR A 115 12.280 -0.473 -13.366 1.00 0.82 H new ATOM 0 HH TYR A 115 12.637 -2.616 -13.887 1.00 0.87 H new ATOM 976 N HIS A 116 12.248 2.753 -8.317 1.00 0.58 N ATOM 977 CA HIS A 116 13.381 3.717 -8.495 1.00 0.67 C ATOM 978 C HIS A 116 14.247 3.775 -7.228 1.00 0.67 C ATOM 979 O HIS A 116 15.120 4.613 -7.119 1.00 0.81 O ATOM 980 CB HIS A 116 12.811 5.116 -8.780 1.00 0.79 C ATOM 981 CG HIS A 116 12.389 5.218 -10.221 1.00 1.20 C ATOM 982 ND1 HIS A 116 12.107 6.435 -10.821 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.201 4.269 -11.193 1.00 2.05 C ATOM 984 CE1 HIS A 116 11.767 6.188 -12.099 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.808 4.882 -12.379 1.00 2.74 N ATOM 0 H HIS A 116 11.317 3.166 -8.375 1.00 0.58 H new ATOM 0 HA HIS A 116 13.999 3.383 -9.328 1.00 0.67 H new ATOM 0 HB2 HIS A 116 11.959 5.310 -8.129 1.00 0.79 H new ATOM 0 HB3 HIS A 116 13.561 5.875 -8.558 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.337 3.206 -11.058 1.00 2.05 H new ATOM 0 HE1 HIS A 116 11.494 6.952 -12.812 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.597 4.432 -13.270 1.00 2.74 H new ATOM 993 N THR A 117 14.012 2.913 -6.268 1.00 0.63 N ATOM 994 CA THR A 117 14.829 2.936 -5.006 1.00 0.68 C ATOM 995 C THR A 117 15.428 1.554 -4.732 1.00 0.66 C ATOM 996 O THR A 117 16.575 1.292 -5.035 1.00 0.73 O ATOM 997 CB THR A 117 13.935 3.343 -3.836 1.00 0.80 C ATOM 998 OG1 THR A 117 12.749 2.563 -3.857 1.00 0.85 O ATOM 999 CG2 THR A 117 13.579 4.825 -3.961 1.00 0.91 C ATOM 0 H THR A 117 13.290 2.193 -6.301 1.00 0.63 H new ATOM 0 HA THR A 117 15.641 3.654 -5.122 1.00 0.68 H new ATOM 0 HB THR A 117 14.461 3.176 -2.896 1.00 0.80 H new ATOM 0 HG1 THR A 117 11.984 3.137 -4.069 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.941 5.118 -3.127 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.492 5.421 -3.946 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.050 4.994 -4.899 1.00 0.91 H new ATOM 1007 N GLN A 118 14.664 0.677 -4.142 1.00 0.73 N ATOM 1008 CA GLN A 118 15.188 -0.682 -3.823 1.00 0.83 C ATOM 1009 C GLN A 118 15.107 -1.576 -5.061 1.00 0.72 C ATOM 1010 O GLN A 118 15.700 -2.636 -5.111 1.00 0.91 O ATOM 1011 CB GLN A 118 14.336 -1.285 -2.712 1.00 1.06 C ATOM 1012 CG GLN A 118 14.420 -0.403 -1.464 1.00 1.48 C ATOM 1013 CD GLN A 118 13.369 -0.845 -0.440 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.571 -0.699 0.749 1.00 2.89 O ATOM 1015 NE2 GLN A 118 12.248 -1.380 -0.848 1.00 2.13 N ATOM 0 H GLN A 118 13.696 0.843 -3.866 1.00 0.73 H new ATOM 0 HA GLN A 118 16.228 -0.608 -3.505 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.300 -1.370 -3.040 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.681 -2.293 -2.481 1.00 1.06 H new ATOM 0 HG2 GLN A 118 15.416 -0.470 -1.027 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.260 0.641 -1.734 1.00 1.48 H new ATOM 0 HE21 GLN A 118 12.075 -1.504 -1.846 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.546 -1.673 -0.169 1.00 2.13 H new ATOM 1024 N GLY A 119 14.394 -1.153 -6.062 1.00 0.86 N ATOM 1025 CA GLY A 119 14.289 -1.971 -7.302 1.00 0.85 C ATOM 1026 C GLY A 119 13.529 -3.274 -7.034 1.00 0.65 C ATOM 1027 O GLY A 119 13.576 -4.193 -7.828 1.00 0.67 O ATOM 0 H GLY A 119 13.877 -0.274 -6.077 1.00 0.86 H new ATOM 0 HA2 GLY A 119 13.778 -1.400 -8.077 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.286 -2.198 -7.679 1.00 0.85 H new ATOM 1031 N TYR A 120 12.817 -3.375 -5.941 1.00 0.54 N ATOM 1032 CA TYR A 120 12.063 -4.637 -5.687 1.00 0.44 C ATOM 1033 C TYR A 120 10.880 -4.685 -6.657 1.00 0.49 C ATOM 1034 O TYR A 120 10.176 -3.713 -6.839 1.00 0.70 O ATOM 1035 CB TYR A 120 11.536 -4.669 -4.240 1.00 0.48 C ATOM 1036 CG TYR A 120 12.615 -5.157 -3.289 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.159 -6.442 -3.428 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.064 -4.322 -2.258 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.150 -6.883 -2.537 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.052 -4.764 -1.371 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.595 -6.044 -1.511 1.00 0.75 C ATOM 1042 OH TYR A 120 15.569 -6.480 -0.636 1.00 0.91 O ATOM 0 H TYR A 120 12.726 -2.653 -5.226 1.00 0.54 H new ATOM 0 HA TYR A 120 12.721 -5.494 -5.833 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.207 -3.673 -3.945 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.666 -5.323 -4.178 1.00 0.48 H new ATOM 0 HD1 TYR A 120 12.816 -7.092 -4.220 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.646 -3.332 -2.147 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.570 -7.872 -2.644 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.395 -4.116 -0.578 1.00 0.71 H new ATOM 0 HH TYR A 120 15.763 -5.774 0.015 1.00 0.91 H new ATOM 1052 N PHE A 121 10.659 -5.805 -7.283 1.00 0.48 N ATOM 1053 CA PHE A 121 9.525 -5.904 -8.243 1.00 0.57 C ATOM 1054 C PHE A 121 8.204 -5.967 -7.445 1.00 0.55 C ATOM 1055 O PHE A 121 8.090 -6.742 -6.517 1.00 0.59 O ATOM 1056 CB PHE A 121 9.693 -7.179 -9.086 1.00 0.68 C ATOM 1057 CG PHE A 121 8.941 -7.040 -10.393 1.00 1.42 C ATOM 1058 CD1 PHE A 121 7.547 -7.168 -10.416 1.00 2.33 C ATOM 1059 CD2 PHE A 121 9.640 -6.785 -11.580 1.00 2.32 C ATOM 1060 CE1 PHE A 121 6.852 -7.040 -11.625 1.00 3.43 C ATOM 1061 CE2 PHE A 121 8.945 -6.658 -12.789 1.00 3.44 C ATOM 1062 CZ PHE A 121 7.552 -6.786 -12.811 1.00 3.85 C ATOM 0 H PHE A 121 11.212 -6.655 -7.173 1.00 0.48 H new ATOM 0 HA PHE A 121 9.508 -5.038 -8.904 1.00 0.57 H new ATOM 0 HB2 PHE A 121 10.750 -7.358 -9.283 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.321 -8.042 -8.533 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.008 -7.365 -9.501 1.00 2.33 H new ATOM 0 HD2 PHE A 121 10.715 -6.686 -11.563 1.00 2.32 H new ATOM 0 HE1 PHE A 121 5.777 -7.137 -11.643 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.484 -6.461 -13.704 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.016 -6.689 -13.744 1.00 3.85 H new ATOM 1072 N PRO A 122 7.215 -5.162 -7.777 1.00 0.64 N ATOM 1073 CA PRO A 122 5.916 -5.164 -7.036 1.00 0.67 C ATOM 1074 C PRO A 122 5.057 -6.398 -7.355 1.00 0.73 C ATOM 1075 O PRO A 122 3.859 -6.308 -7.519 1.00 1.19 O ATOM 1076 CB PRO A 122 5.234 -3.870 -7.506 1.00 0.80 C ATOM 1077 CG PRO A 122 5.769 -3.636 -8.881 1.00 1.05 C ATOM 1078 CD PRO A 122 7.206 -4.169 -8.874 1.00 0.87 C ATOM 0 HA PRO A 122 6.060 -5.208 -5.956 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.149 -3.975 -7.516 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.467 -3.036 -6.843 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.165 -4.153 -9.627 1.00 1.05 H new ATOM 0 HG3 PRO A 122 5.748 -2.576 -9.132 1.00 1.05 H new ATOM 0 HD2 PRO A 122 7.467 -4.626 -9.828 1.00 0.87 H new ATOM 0 HD3 PRO A 122 7.927 -3.371 -8.696 1.00 0.87 H new ATOM 1086 N ASP A 123 5.661 -7.552 -7.425 1.00 0.56 N ATOM 1087 CA ASP A 123 4.880 -8.795 -7.705 1.00 0.64 C ATOM 1088 C ASP A 123 4.425 -9.390 -6.374 1.00 0.58 C ATOM 1089 O ASP A 123 4.159 -10.571 -6.266 1.00 0.65 O ATOM 1090 CB ASP A 123 5.762 -9.808 -8.442 1.00 0.74 C ATOM 1091 CG ASP A 123 7.078 -9.997 -7.684 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.495 -9.065 -7.015 1.00 1.38 O ATOM 1093 OD2 ASP A 123 7.648 -11.071 -7.785 1.00 1.27 O ATOM 0 H ASP A 123 6.664 -7.690 -7.300 1.00 0.56 H new ATOM 0 HA ASP A 123 4.017 -8.559 -8.328 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.242 -10.762 -8.529 1.00 0.74 H new ATOM 0 HB3 ASP A 123 5.962 -9.460 -9.456 1.00 0.74 H new ATOM 1098 N TRP A 124 4.356 -8.572 -5.352 1.00 0.53 N ATOM 1099 CA TRP A 124 3.942 -9.059 -3.997 1.00 0.52 C ATOM 1100 C TRP A 124 2.752 -8.248 -3.501 1.00 0.51 C ATOM 1101 O TRP A 124 2.066 -8.621 -2.571 1.00 0.55 O ATOM 1102 CB TRP A 124 5.112 -8.863 -3.035 1.00 0.49 C ATOM 1103 CG TRP A 124 5.497 -7.419 -3.046 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.492 -6.883 -3.790 1.00 0.44 C ATOM 1105 CD2 TRP A 124 4.901 -6.318 -2.307 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.547 -5.522 -3.546 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.586 -5.126 -2.639 1.00 0.41 C ATOM 1108 CE3 TRP A 124 3.843 -6.240 -1.386 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.232 -3.898 -2.077 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.484 -5.009 -0.819 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.176 -3.839 -1.164 1.00 0.55 C ATOM 0 H TRP A 124 4.571 -7.576 -5.399 1.00 0.53 H new ATOM 0 HA TRP A 124 3.663 -10.111 -4.052 1.00 0.52 H new ATOM 0 HB2 TRP A 124 4.831 -9.173 -2.028 1.00 0.49 H new ATOM 0 HB3 TRP A 124 5.957 -9.483 -3.335 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.137 -7.428 -4.463 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.216 -4.889 -3.983 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.303 -7.134 -1.113 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.770 -3.001 -2.346 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.669 -4.961 -0.112 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.893 -2.894 -0.725 1.00 0.55 H new ATOM 1122 N GLN A 125 2.518 -7.137 -4.115 1.00 0.53 N ATOM 1123 CA GLN A 125 1.378 -6.268 -3.689 1.00 0.60 C ATOM 1124 C GLN A 125 0.053 -6.868 -4.182 1.00 0.66 C ATOM 1125 O GLN A 125 -0.592 -6.330 -5.059 1.00 0.84 O ATOM 1126 CB GLN A 125 1.561 -4.848 -4.256 1.00 0.69 C ATOM 1127 CG GLN A 125 2.236 -4.908 -5.630 1.00 1.56 C ATOM 1128 CD GLN A 125 1.489 -5.890 -6.535 1.00 2.18 C ATOM 1129 OE1 GLN A 125 1.635 -7.089 -6.402 1.00 2.78 O ATOM 1130 NE2 GLN A 125 0.692 -5.428 -7.458 1.00 2.82 N ATOM 0 H GLN A 125 3.064 -6.781 -4.900 1.00 0.53 H new ATOM 0 HA GLN A 125 1.357 -6.213 -2.601 1.00 0.60 H new ATOM 0 HB2 GLN A 125 0.593 -4.355 -4.340 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.164 -4.251 -3.572 1.00 0.69 H new ATOM 0 HG2 GLN A 125 2.245 -3.917 -6.084 1.00 1.56 H new ATOM 0 HG3 GLN A 125 3.275 -5.219 -5.521 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.570 -4.421 -7.569 1.00 2.82 H new ATOM 0 HE22 GLN A 125 0.191 -6.073 -8.069 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.362 -7.977 -3.616 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.647 -8.621 -4.043 1.00 0.72 C ATOM 1141 C ASN A 126 -2.711 -8.435 -2.953 1.00 0.69 C ATOM 1142 O ASN A 126 -2.408 -8.103 -1.824 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.404 -10.116 -4.277 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.045 -10.313 -4.954 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.842 -10.924 -4.393 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.157 -9.816 -6.144 1.00 0.88 N ATOM 0 H ASN A 126 0.136 -8.467 -2.873 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.999 -8.157 -4.964 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.431 -10.652 -3.328 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.196 -10.531 -4.900 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.060 -9.941 -6.602 1.00 0.88 H new ATOM 0 HD22 ASN A 126 -0.588 -9.303 -6.616 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.957 -8.657 -3.289 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.056 -8.495 -2.289 1.00 0.61 C ATOM 1155 C TYR A 127 -6.297 -9.234 -2.799 1.00 0.63 C ATOM 1156 O TYR A 127 -6.456 -9.453 -3.983 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.411 -7.010 -2.125 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.170 -6.192 -1.856 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.428 -5.670 -2.922 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.766 -5.949 -0.537 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.280 -4.908 -2.671 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.617 -5.188 -0.285 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.874 -4.668 -1.352 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.743 -3.917 -1.103 1.00 1.48 O ATOM 0 H TYR A 127 -4.262 -8.945 -4.219 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.728 -8.898 -1.331 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.904 -6.647 -3.027 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.118 -6.888 -1.304 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -3.741 -5.855 -3.939 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.340 -6.348 0.286 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -1.708 -4.506 -3.494 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.304 -5.002 0.732 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.984 -3.128 -0.575 1.00 1.48 H new ATOM 1174 N THR A 128 -7.175 -9.631 -1.916 1.00 0.62 N ATOM 1175 CA THR A 128 -8.392 -10.366 -2.365 1.00 0.68 C ATOM 1176 C THR A 128 -9.294 -9.438 -3.205 1.00 0.75 C ATOM 1177 O THR A 128 -9.650 -8.366 -2.757 1.00 0.97 O ATOM 1178 CB THR A 128 -9.186 -10.850 -1.157 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.462 -9.753 -0.298 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.377 -11.906 -0.407 1.00 0.90 C ATOM 0 H THR A 128 -7.103 -9.479 -0.910 1.00 0.62 H new ATOM 0 HA THR A 128 -8.075 -11.218 -2.967 1.00 0.68 H new ATOM 0 HB THR A 128 -10.127 -11.288 -1.490 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.515 -8.929 -0.826 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.944 -12.253 0.457 1.00 0.90 H new ATOM 0 HG22 THR A 128 -8.174 -12.747 -1.070 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.435 -11.473 -0.072 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.789 -5.080 1.872 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.863 -5.865 1.004 1.00 0.49 C ATOM 1251 C ARG A 134 -7.727 -6.456 1.855 1.00 0.40 C ATOM 1252 O ARG A 134 -6.840 -5.749 2.299 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.295 -4.928 -0.094 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.641 -5.457 -1.496 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.858 -4.667 -2.550 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.011 -5.322 -3.880 1.00 1.86 N ATOM 1257 CZ ARG A 134 -7.693 -4.672 -4.966 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.247 -3.448 -4.885 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -7.820 -5.244 -6.132 1.00 3.36 N ATOM 0 HA ARG A 134 -9.398 -6.689 0.532 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.702 -3.925 0.032 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.213 -4.849 0.013 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.398 -6.517 -1.566 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.712 -5.363 -1.677 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -8.222 -3.641 -2.595 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.804 -4.620 -2.275 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.364 -6.277 -3.941 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -7.147 -3.001 -3.974 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -6.998 -2.939 -5.733 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.168 -6.201 -6.196 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -7.571 -4.734 -6.980 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.740 -7.749 2.066 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.654 -8.392 2.864 1.00 0.39 C ATOM 1275 C TYR A 135 -5.475 -8.697 1.922 1.00 0.36 C ATOM 1276 O TYR A 135 -5.685 -9.130 0.806 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.168 -9.712 3.463 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.013 -9.435 4.685 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.353 -9.059 4.540 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.458 -9.565 5.965 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.137 -8.812 5.674 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.242 -9.317 7.097 1.00 0.85 C ATOM 1283 CZ TYR A 135 -9.582 -8.941 6.952 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.355 -8.698 8.068 1.00 1.17 O ATOM 0 H TYR A 135 -8.457 -8.386 1.719 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.340 -7.727 3.668 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.755 -10.253 2.721 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.326 -10.351 3.731 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.782 -8.959 3.554 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.424 -9.857 6.078 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.171 -8.522 5.562 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -7.813 -9.416 8.083 1.00 0.85 H new ATOM 0 HH TYR A 135 -9.816 -8.834 8.875 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.249 -8.493 2.347 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.059 -8.777 1.490 1.00 0.38 C ATOM 1296 C PRO A 136 -2.774 -10.280 1.405 1.00 0.37 C ATOM 1297 O PRO A 136 -2.551 -10.934 2.404 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.923 -8.045 2.211 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.316 -8.079 3.651 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.845 -7.975 3.670 1.00 0.44 C ATOM 0 HA PRO A 136 -3.196 -8.451 0.459 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.965 -8.539 2.049 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.818 -7.021 1.851 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.981 -9.001 4.126 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.861 -7.254 4.200 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.276 -8.564 4.479 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.174 -6.946 3.815 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.779 -10.835 0.225 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.507 -12.293 0.104 1.00 0.43 C ATOM 1310 C LEU A 137 -1.095 -12.584 0.615 1.00 0.41 C ATOM 1311 O LEU A 137 -0.860 -13.565 1.292 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.640 -12.735 -1.354 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.832 -12.031 -2.006 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.079 -12.632 -3.391 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -5.081 -12.227 -1.141 1.00 0.92 C ATOM 0 H LEU A 137 -2.958 -10.347 -0.653 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.231 -12.848 0.700 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.726 -12.500 -1.899 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.773 -13.816 -1.405 1.00 0.51 H new ATOM 0 HG LEU A 137 -3.617 -10.966 -2.099 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.928 -12.133 -3.858 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.192 -12.496 -4.010 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -4.293 -13.696 -3.293 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.929 -11.725 -1.607 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -5.296 -13.292 -1.048 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.908 -11.804 -0.151 1.00 0.92 H new ATOM 1327 N THR A 138 -0.154 -11.735 0.303 1.00 0.50 N ATOM 1328 CA THR A 138 1.237 -11.965 0.782 1.00 0.55 C ATOM 1329 C THR A 138 1.277 -11.815 2.304 1.00 0.47 C ATOM 1330 O THR A 138 0.461 -11.138 2.897 1.00 0.50 O ATOM 1331 CB THR A 138 2.185 -10.951 0.122 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.502 -9.718 -0.059 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.643 -11.484 -1.239 1.00 1.04 C ATOM 0 H THR A 138 -0.288 -10.896 -0.261 1.00 0.50 H new ATOM 0 HA THR A 138 1.558 -12.971 0.513 1.00 0.55 H new ATOM 0 HB THR A 138 3.055 -10.798 0.761 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.728 -9.345 -0.937 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.315 -10.763 -1.705 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.165 -12.431 -1.102 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.775 -11.638 -1.880 1.00 1.04 H new ATOM 1341 N PHE A 139 2.219 -12.457 2.938 1.00 0.51 N ATOM 1342 CA PHE A 139 2.326 -12.380 4.428 1.00 0.49 C ATOM 1343 C PHE A 139 3.385 -11.342 4.826 1.00 0.65 C ATOM 1344 O PHE A 139 4.338 -11.108 4.113 1.00 1.43 O ATOM 1345 CB PHE A 139 2.737 -13.759 4.962 1.00 0.52 C ATOM 1346 CG PHE A 139 2.422 -13.861 6.438 1.00 0.50 C ATOM 1347 CD1 PHE A 139 3.258 -13.245 7.379 1.00 0.59 C ATOM 1348 CD2 PHE A 139 1.296 -14.577 6.867 1.00 0.67 C ATOM 1349 CE1 PHE A 139 2.967 -13.344 8.744 1.00 0.62 C ATOM 1350 CE2 PHE A 139 1.008 -14.677 8.232 1.00 0.77 C ATOM 1351 CZ PHE A 139 1.842 -14.061 9.171 1.00 0.66 C ATOM 0 H PHE A 139 2.926 -13.037 2.487 1.00 0.51 H new ATOM 0 HA PHE A 139 1.366 -12.083 4.850 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.210 -14.541 4.415 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.803 -13.918 4.798 1.00 0.52 H new ATOM 0 HD1 PHE A 139 4.127 -12.694 7.051 1.00 0.59 H new ATOM 0 HD2 PHE A 139 0.650 -15.052 6.143 1.00 0.67 H new ATOM 0 HE1 PHE A 139 3.610 -12.867 9.469 1.00 0.62 H new ATOM 0 HE2 PHE A 139 0.141 -15.230 8.561 1.00 0.77 H new ATOM 0 HZ PHE A 139 1.619 -14.138 10.225 1.00 0.66 H new ATOM 1361 N GLY A 140 3.228 -10.731 5.971 1.00 0.46 N ATOM 1362 CA GLY A 140 4.231 -9.724 6.438 1.00 0.43 C ATOM 1363 C GLY A 140 3.794 -8.311 6.045 1.00 0.35 C ATOM 1364 O GLY A 140 4.055 -7.354 6.748 1.00 0.32 O ATOM 0 H GLY A 140 2.445 -10.886 6.607 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.343 -9.789 7.520 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.206 -9.944 6.003 1.00 0.43 H new ATOM 1368 N TRP A 141 3.138 -8.166 4.929 1.00 0.34 N ATOM 1369 CA TRP A 141 2.695 -6.804 4.501 1.00 0.29 C ATOM 1370 C TRP A 141 1.523 -6.377 5.377 1.00 0.32 C ATOM 1371 O TRP A 141 0.391 -6.763 5.163 1.00 0.40 O ATOM 1372 CB TRP A 141 2.288 -6.849 3.026 1.00 0.33 C ATOM 1373 CG TRP A 141 2.069 -5.472 2.471 1.00 0.31 C ATOM 1374 CD1 TRP A 141 0.940 -5.083 1.832 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.963 -4.309 2.462 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.079 -3.769 1.427 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.303 -3.247 1.791 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.262 -4.065 2.959 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.904 -2.000 1.617 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.865 -2.809 2.786 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.189 -1.780 2.116 1.00 0.33 C ATOM 0 H TRP A 141 2.889 -8.925 4.295 1.00 0.34 H new ATOM 0 HA TRP A 141 3.503 -6.081 4.613 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.062 -7.355 2.450 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.375 -7.435 2.918 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.070 -5.701 1.666 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.363 -3.248 0.920 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.795 -4.850 3.475 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.379 -1.211 1.100 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.858 -2.634 3.172 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.662 -0.818 1.986 1.00 0.33 H new ATOM 1392 N CYS A 142 1.806 -5.609 6.394 1.00 0.31 N ATOM 1393 CA CYS A 142 0.739 -5.173 7.334 1.00 0.40 C ATOM 1394 C CYS A 142 0.021 -3.926 6.832 1.00 0.39 C ATOM 1395 O CYS A 142 -0.180 -2.982 7.571 1.00 0.48 O ATOM 1396 CB CYS A 142 1.376 -4.890 8.687 1.00 0.47 C ATOM 1397 SG CYS A 142 2.638 -6.142 9.029 1.00 1.45 S ATOM 0 H CYS A 142 2.740 -5.263 6.614 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.003 -5.967 7.415 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.823 -3.896 8.690 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.616 -4.900 9.469 1.00 0.47 H new ATOM 0 HG CYS A 142 3.389 -6.299 7.980 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.382 -3.921 5.596 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.113 -2.740 5.034 1.00 0.40 C ATOM 1405 C TYR A 143 -2.454 -3.227 4.468 1.00 0.43 C ATOM 1406 O TYR A 143 -2.528 -3.749 3.373 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.250 -2.108 3.925 1.00 0.55 C ATOM 1408 CG TYR A 143 0.499 -0.907 4.469 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -0.220 0.192 4.943 1.00 2.16 C ATOM 1410 CD2 TYR A 143 1.898 -0.888 4.487 1.00 2.17 C ATOM 1411 CE1 TYR A 143 0.456 1.313 5.437 1.00 3.14 C ATOM 1412 CE2 TYR A 143 2.576 0.233 4.976 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.855 1.334 5.450 1.00 3.52 C ATOM 1414 OH TYR A 143 2.524 2.439 5.933 1.00 4.57 O ATOM 0 H TYR A 143 -0.238 -4.688 4.939 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.301 -1.991 5.803 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.457 -2.843 3.540 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -0.882 -1.805 3.090 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.300 0.177 4.928 1.00 2.16 H new ATOM 0 HD2 TYR A 143 2.454 -1.739 4.123 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -0.101 2.161 5.808 1.00 3.14 H new ATOM 0 HE2 TYR A 143 3.656 0.249 4.988 1.00 3.14 H new ATOM 0 HH TYR A 143 3.490 2.289 5.872 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.513 -3.064 5.219 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.857 -3.521 4.746 1.00 0.51 C ATOM 1426 C LYS A 144 -5.625 -2.342 4.145 1.00 0.43 C ATOM 1427 O LYS A 144 -5.827 -1.331 4.788 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.646 -4.074 5.937 1.00 0.70 C ATOM 1429 CG LYS A 144 -4.976 -5.353 6.451 1.00 1.21 C ATOM 1430 CD LYS A 144 -5.477 -5.662 7.865 1.00 1.24 C ATOM 1431 CE LYS A 144 -6.983 -5.930 7.832 1.00 1.57 C ATOM 1432 NZ LYS A 144 -7.395 -6.604 9.096 1.00 2.32 N ATOM 0 H LYS A 144 -3.506 -2.633 6.143 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.729 -4.294 3.988 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.691 -3.330 6.733 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.673 -4.284 5.639 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.200 -6.186 5.785 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -3.893 -5.231 6.456 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -4.952 -6.529 8.266 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -5.261 -4.825 8.529 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -7.527 -4.993 7.713 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.233 -6.556 6.975 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -7.734 -7.564 8.883 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.581 -6.659 9.741 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.158 -6.060 9.547 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.072 -2.466 2.924 1.00 0.40 N ATOM 1447 CA LEU A 145 -6.846 -1.351 2.305 1.00 0.37 C ATOM 1448 C LEU A 145 -8.264 -1.369 2.884 1.00 0.38 C ATOM 1449 O LEU A 145 -8.722 -2.379 3.377 1.00 0.41 O ATOM 1450 CB LEU A 145 -6.897 -1.539 0.776 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.671 -0.886 0.110 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.661 -1.247 -1.382 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.714 0.653 0.279 1.00 0.52 C ATOM 0 H LEU A 145 -5.936 -3.285 2.332 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.369 -0.395 2.521 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -6.926 -2.602 0.535 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -7.811 -1.098 0.380 1.00 0.42 H new ATOM 0 HG LEU A 145 -4.764 -1.257 0.588 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.796 -0.789 -1.861 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.607 -2.330 -1.494 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.573 -0.879 -1.851 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.840 1.096 -0.198 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.619 1.045 -0.186 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.714 0.903 1.340 1.00 0.52 H new ATOM 1465 N VAL A 146 -8.962 -0.265 2.826 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.351 -0.216 3.377 1.00 0.50 C ATOM 1467 C VAL A 146 -11.096 0.966 2.726 1.00 0.59 C ATOM 1468 O VAL A 146 -10.610 2.079 2.753 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.292 0.028 4.898 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.708 0.226 5.453 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.645 -1.169 5.606 1.00 0.56 C ATOM 0 H VAL A 146 -8.629 0.609 2.419 1.00 0.43 H new ATOM 0 HA VAL A 146 -10.861 -1.157 3.171 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.696 0.922 5.078 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.657 0.398 6.528 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.171 1.086 4.970 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.304 -0.665 5.256 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.610 -0.982 6.679 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.232 -2.067 5.413 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.632 -1.310 5.230 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.262 0.752 2.146 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.033 1.856 1.501 1.00 0.81 C ATOM 1483 C PRO A 147 -13.756 2.732 2.531 1.00 0.91 C ATOM 1484 O PRO A 147 -13.885 2.375 3.686 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.035 1.114 0.610 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.291 -0.172 1.326 1.00 0.97 C ATOM 1487 CD PRO A 147 -12.976 -0.539 2.028 1.00 0.75 C ATOM 0 HA PRO A 147 -12.391 2.544 0.950 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -14.953 1.687 0.483 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -13.628 0.940 -0.386 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.100 -0.061 2.048 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -14.591 -0.953 0.628 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.156 -0.986 3.005 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.402 -1.261 1.448 1.00 0.75 H new ATOM 1780 N LEU A 181 -9.679 4.177 -1.455 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.332 3.195 -0.371 1.00 0.52 C ATOM 1782 C LEU A 181 -8.193 3.742 0.495 1.00 0.47 C ATOM 1783 O LEU A 181 -7.188 4.206 -0.006 1.00 0.51 O ATOM 1784 CB LEU A 181 -8.883 1.870 -1.003 1.00 0.60 C ATOM 1785 CG LEU A 181 -9.811 1.488 -2.162 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.270 0.232 -2.846 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.214 1.207 -1.621 1.00 0.87 C ATOM 0 HA LEU A 181 -10.213 3.034 0.250 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -7.859 1.961 -1.364 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -8.887 1.081 -0.251 1.00 0.60 H new ATOM 0 HG LEU A 181 -9.856 2.307 -2.880 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -9.926 -0.044 -3.671 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.269 0.429 -3.229 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.229 -0.585 -2.126 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -11.874 0.935 -2.445 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.170 0.386 -0.905 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -11.599 2.099 -1.127 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.339 3.678 1.794 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.264 4.181 2.706 1.00 0.45 C ATOM 1801 C GLU A 182 -6.424 3.018 3.226 1.00 0.42 C ATOM 1802 O GLU A 182 -6.926 1.978 3.599 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.901 4.920 3.889 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.068 4.098 4.439 1.00 0.56 C ATOM 1805 CD GLU A 182 -9.544 4.707 5.759 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.847 4.549 6.747 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -10.597 5.324 5.758 1.00 1.62 O ATOM 0 H GLU A 182 -9.160 3.298 2.265 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.620 4.862 2.150 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.159 5.085 4.670 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.252 5.902 3.571 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.886 4.081 3.719 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.758 3.065 4.594 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.135 3.210 3.246 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.211 2.151 3.732 1.00 0.38 C ATOM 1816 C TRP A 183 -4.284 2.079 5.259 1.00 0.37 C ATOM 1817 O TRP A 183 -3.926 3.010 5.954 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.787 2.520 3.289 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.539 2.053 1.888 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.251 0.781 1.529 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.549 2.833 0.658 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.077 0.732 0.157 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.252 1.973 -0.425 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.783 4.191 0.381 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.190 2.444 -1.738 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.722 4.670 -0.939 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.425 3.798 -1.995 1.00 0.41 C ATOM 0 H TRP A 183 -4.677 4.069 2.941 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.488 1.180 3.322 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.649 3.600 3.349 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.061 2.068 3.964 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.170 -0.059 2.203 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -1.848 -0.116 -0.361 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.011 4.871 1.188 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.962 1.768 -2.549 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.905 5.715 -1.140 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.378 4.172 -3.007 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.746 0.977 5.790 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.842 0.841 7.275 1.00 0.35 C ATOM 1840 C ARG A 184 -3.585 0.152 7.805 1.00 0.31 C ATOM 1841 O ARG A 184 -3.424 -1.047 7.692 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.070 -0.005 7.634 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.371 0.114 9.142 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.287 1.316 9.407 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.698 0.929 9.128 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.678 1.679 9.553 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -9.424 2.771 10.220 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -10.913 1.335 9.309 1.00 2.61 N ATOM 0 H ARG A 184 -5.061 0.165 5.260 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.935 1.830 7.723 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.932 0.327 7.056 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -5.893 -1.048 7.372 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -6.846 -0.800 9.499 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -5.440 0.227 9.698 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -7.185 1.644 10.441 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -6.996 2.156 8.776 1.00 1.51 H new ATOM 0 HE ARG A 184 -8.899 0.077 8.604 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -8.459 3.040 10.410 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -10.191 3.356 10.551 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -11.111 0.481 8.787 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -11.680 1.920 9.640 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.698 0.907 8.381 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.441 0.318 8.927 1.00 0.31 C ATOM 1864 C PHE A 185 -1.768 -0.577 10.131 1.00 0.31 C ATOM 1865 O PHE A 185 -2.535 -0.209 10.997 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.529 1.467 9.361 1.00 0.40 C ATOM 1867 CG PHE A 185 0.793 0.943 9.868 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.897 0.441 11.171 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.920 0.975 9.040 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.128 -0.029 11.642 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.151 0.508 9.510 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.256 0.006 10.810 1.00 0.71 C ATOM 0 H PHE A 185 -2.787 1.916 8.500 1.00 0.31 H new ATOM 0 HA PHE A 185 -0.945 -0.289 8.170 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.360 2.140 8.520 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -1.018 2.049 10.142 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.028 0.417 11.812 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.839 1.362 8.035 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.209 -0.419 12.646 1.00 0.75 H new ATOM 0 HE2 PHE A 185 4.020 0.535 8.869 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.207 -0.355 11.174 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.202 -1.757 10.184 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.491 -2.683 11.316 1.00 0.32 C ATOM 1884 C ASP A 186 -0.308 -3.647 11.508 1.00 0.30 C ATOM 1885 O ASP A 186 -0.468 -4.850 11.471 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.747 -3.472 10.959 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.378 -4.061 12.221 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -3.423 -3.364 13.222 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -3.810 -5.202 12.164 1.00 1.16 O ATOM 0 H ASP A 186 -0.550 -2.118 9.488 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.640 -2.126 12.241 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.463 -2.822 10.455 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.497 -4.272 10.262 1.00 0.37 H new ATOM 1894 N SER A 187 0.873 -3.112 11.696 1.00 0.33 N ATOM 1895 CA SER A 187 2.102 -3.956 11.874 1.00 0.34 C ATOM 1896 C SER A 187 1.807 -5.238 12.667 1.00 0.35 C ATOM 1897 O SER A 187 2.523 -6.214 12.549 1.00 0.37 O ATOM 1898 CB SER A 187 3.157 -3.147 12.627 1.00 0.40 C ATOM 1899 OG SER A 187 4.111 -4.036 13.193 1.00 1.32 O ATOM 0 H SER A 187 1.043 -2.107 11.735 1.00 0.33 H new ATOM 0 HA SER A 187 2.458 -4.242 10.884 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.649 -2.449 11.950 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.686 -2.553 13.410 1.00 0.40 H new ATOM 0 HG SER A 187 4.991 -3.605 13.209 1.00 1.32 H new ATOM 1905 N ARG A 188 0.779 -5.261 13.471 1.00 0.40 N ATOM 1906 CA ARG A 188 0.492 -6.504 14.249 1.00 0.46 C ATOM 1907 C ARG A 188 0.221 -7.644 13.268 1.00 0.42 C ATOM 1908 O ARG A 188 0.248 -8.808 13.616 1.00 0.43 O ATOM 1909 CB ARG A 188 -0.734 -6.287 15.140 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.873 -5.685 14.316 1.00 1.40 C ATOM 1911 CD ARG A 188 -3.184 -5.793 15.101 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.106 -4.939 16.319 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.192 -4.641 16.977 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.347 -5.099 16.575 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.125 -3.886 18.040 1.00 3.87 N ATOM 0 H ARG A 188 0.133 -4.486 13.623 1.00 0.40 H new ATOM 0 HA ARG A 188 1.346 -6.751 14.880 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.050 -7.234 15.577 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -0.481 -5.624 15.967 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.658 -4.641 14.088 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -1.963 -6.208 13.364 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -4.021 -5.479 14.477 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.367 -6.830 15.382 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.203 -4.587 16.638 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.400 -5.690 15.746 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.196 -4.865 17.090 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -3.223 -3.529 18.356 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.974 -3.653 18.554 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.016 -7.300 12.038 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.269 -8.319 10.986 1.00 0.46 C ATOM 1931 C LEU A 189 1.001 -9.165 10.814 1.00 0.41 C ATOM 1932 O LEU A 189 1.082 -10.038 9.976 1.00 0.46 O ATOM 1933 CB LEU A 189 -0.605 -7.566 9.680 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.657 -8.305 8.830 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -1.103 -9.660 8.407 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.980 -8.487 9.608 1.00 1.78 C ATOM 0 H LEU A 189 -0.046 -6.335 11.709 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.095 -8.979 11.251 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.973 -6.569 9.923 1.00 0.57 H new ATOM 0 HB3 LEU A 189 0.305 -7.436 9.094 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.873 -7.705 7.946 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -1.845 -10.185 7.806 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -0.196 -9.515 7.819 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -0.870 -10.251 9.293 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -3.701 -9.011 8.981 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.794 -9.068 10.511 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -3.379 -7.510 9.881 1.00 1.78 H new ATOM 1948 N ALA A 190 2.006 -8.895 11.595 1.00 0.37 N ATOM 1949 CA ALA A 190 3.268 -9.665 11.467 1.00 0.42 C ATOM 1950 C ALA A 190 3.106 -11.043 12.111 1.00 0.44 C ATOM 1951 O ALA A 190 4.016 -11.847 12.088 1.00 0.53 O ATOM 1952 CB ALA A 190 4.397 -8.905 12.166 1.00 0.47 C ATOM 0 H ALA A 190 2.007 -8.174 12.316 1.00 0.37 H new ATOM 0 HA ALA A 190 3.507 -9.791 10.411 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.326 -9.468 12.074 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.518 -7.926 11.702 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.152 -8.779 13.221 1.00 0.47 H new ATOM 1958 N PHE A 191 1.964 -11.330 12.695 1.00 0.42 N ATOM 1959 CA PHE A 191 1.779 -12.676 13.345 1.00 0.51 C ATOM 1960 C PHE A 191 0.357 -13.216 13.138 1.00 0.56 C ATOM 1961 O PHE A 191 -0.027 -14.192 13.750 1.00 0.96 O ATOM 1962 CB PHE A 191 2.068 -12.560 14.847 1.00 0.58 C ATOM 1963 CG PHE A 191 1.085 -11.615 15.500 1.00 1.14 C ATOM 1964 CD1 PHE A 191 -0.162 -12.085 15.931 1.00 1.98 C ATOM 1965 CD2 PHE A 191 1.426 -10.269 15.687 1.00 1.81 C ATOM 1966 CE1 PHE A 191 -1.066 -11.211 16.546 1.00 2.87 C ATOM 1967 CE2 PHE A 191 0.521 -9.397 16.302 1.00 2.75 C ATOM 1968 CZ PHE A 191 -0.724 -9.867 16.732 1.00 3.15 C ATOM 0 H PHE A 191 1.161 -10.703 12.751 1.00 0.42 H new ATOM 0 HA PHE A 191 2.474 -13.374 12.878 1.00 0.51 H new ATOM 0 HB2 PHE A 191 2.003 -13.543 15.314 1.00 0.58 H new ATOM 0 HB3 PHE A 191 3.085 -12.201 15.002 1.00 0.58 H new ATOM 0 HD1 PHE A 191 -0.426 -13.122 15.789 1.00 1.98 H new ATOM 0 HD2 PHE A 191 2.387 -9.905 15.356 1.00 1.81 H new ATOM 0 HE1 PHE A 191 -2.028 -11.574 16.877 1.00 2.87 H new ATOM 0 HE2 PHE A 191 0.784 -8.359 16.445 1.00 2.75 H new ATOM 0 HZ PHE A 191 -1.421 -9.193 17.207 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.432 -12.613 12.291 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.819 -13.135 12.085 1.00 0.72 C ATOM 1980 C HIS A 192 -1.769 -14.429 11.256 1.00 0.67 C ATOM 1981 O HIS A 192 -0.770 -15.121 11.225 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.684 -12.048 11.394 1.00 1.01 C ATOM 1983 CG HIS A 192 -2.706 -12.200 9.886 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.783 -11.765 9.128 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -1.803 -12.721 8.985 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -3.505 -12.026 7.838 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -2.313 -12.609 7.695 1.00 3.35 N ATOM 0 H HIS A 192 -0.184 -11.792 11.738 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.275 -13.371 13.046 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.703 -12.101 11.777 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.298 -11.062 11.652 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -0.846 -13.151 9.241 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -4.167 -11.792 7.017 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -1.870 -12.908 6.826 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.837 -14.750 10.575 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.854 -15.984 9.739 1.00 0.85 C ATOM 1997 C HIS A 193 -4.177 -16.052 8.968 1.00 0.74 C ATOM 1998 O HIS A 193 -4.652 -17.114 8.615 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.699 -17.217 10.639 1.00 1.28 C ATOM 2000 CG HIS A 193 -3.411 -16.983 11.942 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.728 -16.764 13.129 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -4.746 -16.930 12.262 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -3.645 -16.593 14.098 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -4.891 -16.684 13.624 1.00 3.87 N ATOM 0 H HIS A 193 -3.701 -14.208 10.562 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.027 -15.962 9.029 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -3.109 -18.096 10.142 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -1.643 -17.417 10.821 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -5.559 -17.060 11.563 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -3.403 -16.405 15.134 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -5.761 -16.593 14.148 1.00 3.87 H new ATOM 2012 N MET A 194 -4.773 -14.920 8.703 1.00 0.73 N ATOM 2013 CA MET A 194 -6.064 -14.904 7.954 1.00 0.79 C ATOM 2014 C MET A 194 -5.799 -15.037 6.452 1.00 0.75 C ATOM 2015 O MET A 194 -6.119 -16.037 5.840 1.00 0.90 O ATOM 2016 CB MET A 194 -6.796 -13.588 8.228 1.00 0.91 C ATOM 2017 CG MET A 194 -7.351 -13.603 9.654 1.00 1.47 C ATOM 2018 SD MET A 194 -8.726 -14.776 9.753 1.00 2.35 S ATOM 2019 CE MET A 194 -8.707 -14.997 11.550 1.00 2.94 C ATOM 0 H MET A 194 -4.420 -14.002 8.974 1.00 0.73 H new ATOM 0 HA MET A 194 -6.679 -15.741 8.284 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.115 -12.747 8.100 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.607 -13.454 7.512 1.00 0.91 H new ATOM 0 HG2 MET A 194 -6.568 -13.884 10.358 1.00 1.47 H new ATOM 0 HG3 MET A 194 -7.689 -12.605 9.935 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.491 -15.697 11.839 1.00 2.94 H new ATOM 0 HE2 MET A 194 -7.738 -15.390 11.858 1.00 2.94 H new ATOM 0 HE3 MET A 194 -8.880 -14.037 12.036 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.217 -14.032 5.850 1.00 0.66 N ATOM 2030 CA ALA A 195 -4.932 -14.095 4.386 1.00 0.76 C ATOM 2031 C ALA A 195 -4.269 -15.434 4.057 1.00 0.90 C ATOM 2032 O ALA A 195 -4.429 -15.972 2.978 1.00 1.11 O ATOM 2033 CB ALA A 195 -3.987 -12.955 4.005 1.00 0.82 C ATOM 0 H ALA A 195 -4.927 -13.169 6.310 1.00 0.66 H new ATOM 0 HA ALA A 195 -5.863 -14.000 3.827 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -3.777 -12.998 2.936 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.454 -12.000 4.245 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.055 -13.053 4.562 1.00 0.82 H new