USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=22 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 127 TYR OH : rot 147:sc= -0.746 USER MOD Set 1.2: A 143 TYR OH : rot 105:sc= -0.702 USER MOD Set 2.1: A 88 SER OG : rot -79:sc= 0.0073 USER MOD Set 2.2: A 89 HIS : no HE2:sc= -2.5 K(o=-2.5,f=-13!) USER MOD Single : A 79 MET CE :methyl 145:sc= 0 (180deg=-0.0334) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.62! USER MOD Single : A 81 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ -152:sc= -1.23 (180deg=-1.86) USER MOD Single : A 92 LYS NZ :NH3+ 162:sc= 0 (180deg=-0.284) USER MOD Single : A 94 LYS NZ :NH3+ 163:sc= -0.804 (180deg=-0.891) USER MOD Single : A 102 HIS : no HE2:sc= -1.07 K(o=-1.1,f=-4.1!) USER MOD Single : A 103 SER OG : rot 180:sc= -0.38 USER MOD Single : A 104 GLN : amide:sc= -0.431 X(o=-0.43,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.0928 X(o=-0.093,f=-0.093) USER MOD Single : A 115 TYR OH : rot 15:sc= 0.376 USER MOD Single : A 116 HIS : no HD1:sc= -2.4 X(o=-2.4,f=-2.5!) USER MOD Single : A 117 THR OG1 : rot -82:sc= 0.782 USER MOD Single : A 118 GLN : amide:sc= -4.41! C(o=-4.4!,f=-2.5!) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -0.0888 K(o=-0.089,f=-1.3) USER MOD Single : A 126 ASN : amide:sc= -2.43 X(o=-2.4,f=-2) USER MOD Single : A 128 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -139:sc= 1.16 USER MOD Single : A 142 CYS SG : rot 7:sc= -0.313 USER MOD Single : A 144 LYS NZ :NH3+ -119:sc= 0 (180deg=-0.966) USER MOD Single : A 187 SER OG : rot 180:sc= 0 USER MOD Single : A 192 HIS : no HD1:sc= -1.95 X(o=-1.9,f=-1.5) USER MOD Single : A 193 HIS : no HE2:sc= -0.114 X(o=-0.11,f=-0.45) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 19.509 -0.638 -9.907 1.00 1.04 N ATOM 275 CA VAL A 74 20.009 -1.223 -8.624 1.00 0.93 C ATOM 276 C VAL A 74 19.993 -2.753 -8.739 1.00 0.86 C ATOM 277 O VAL A 74 19.212 -3.305 -9.489 1.00 0.89 O ATOM 278 CB VAL A 74 19.093 -0.767 -7.478 1.00 1.09 C ATOM 279 CG1 VAL A 74 19.479 0.649 -7.043 1.00 1.17 C ATOM 280 CG2 VAL A 74 17.638 -0.760 -7.957 1.00 1.38 C ATOM 0 HA VAL A 74 21.027 -0.888 -8.422 1.00 0.93 H new ATOM 0 HB VAL A 74 19.203 -1.453 -6.638 1.00 1.09 H new ATOM 0 HG11 VAL A 74 18.828 0.970 -6.230 1.00 1.17 H new ATOM 0 HG12 VAL A 74 20.514 0.656 -6.703 1.00 1.17 H new ATOM 0 HG13 VAL A 74 19.370 1.331 -7.886 1.00 1.17 H new ATOM 0 HG21 VAL A 74 16.989 -0.436 -7.143 1.00 1.38 H new ATOM 0 HG22 VAL A 74 17.535 -0.074 -8.798 1.00 1.38 H new ATOM 0 HG23 VAL A 74 17.353 -1.764 -8.271 1.00 1.38 H new ATOM 290 N PRO A 75 20.827 -3.445 -7.998 1.00 0.93 N ATOM 291 CA PRO A 75 20.863 -4.937 -8.034 1.00 1.00 C ATOM 292 C PRO A 75 19.506 -5.523 -7.620 1.00 0.88 C ATOM 293 O PRO A 75 19.036 -5.305 -6.521 1.00 0.84 O ATOM 294 CB PRO A 75 21.972 -5.313 -7.029 1.00 1.18 C ATOM 295 CG PRO A 75 22.158 -4.098 -6.172 1.00 1.37 C ATOM 296 CD PRO A 75 21.818 -2.900 -7.056 1.00 1.13 C ATOM 0 HA PRO A 75 21.063 -5.331 -9.030 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.683 -6.176 -6.430 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.896 -5.577 -7.543 1.00 1.18 H new ATOM 0 HG2 PRO A 75 21.508 -4.134 -5.298 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.182 -4.033 -5.805 1.00 1.37 H new ATOM 0 HD2 PRO A 75 21.408 -2.074 -6.474 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.698 -2.519 -7.574 1.00 1.13 H new ATOM 304 N LEU A 76 18.865 -6.246 -8.498 1.00 0.86 N ATOM 305 CA LEU A 76 17.532 -6.821 -8.154 1.00 0.77 C ATOM 306 C LEU A 76 17.667 -7.791 -6.979 1.00 0.77 C ATOM 307 O LEU A 76 18.006 -8.945 -7.148 1.00 0.85 O ATOM 308 CB LEU A 76 16.969 -7.566 -9.366 1.00 0.84 C ATOM 309 CG LEU A 76 16.671 -6.574 -10.504 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.289 -7.355 -11.768 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.515 -5.631 -10.107 1.00 0.76 C ATOM 0 H LEU A 76 19.205 -6.463 -9.435 1.00 0.86 H new ATOM 0 HA LEU A 76 16.857 -6.012 -7.874 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.683 -8.317 -9.705 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.058 -8.095 -9.087 1.00 0.84 H new ATOM 0 HG LEU A 76 17.560 -5.974 -10.695 1.00 0.87 H new ATOM 0 HD11 LEU A 76 16.077 -6.656 -12.577 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.114 -8.005 -12.057 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.404 -7.959 -11.569 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.316 -4.935 -10.922 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.619 -6.218 -9.905 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.792 -5.072 -9.213 1.00 0.76 H new ATOM 323 N ARG A 77 17.388 -7.331 -5.789 1.00 0.74 N ATOM 324 CA ARG A 77 17.478 -8.220 -4.596 1.00 0.79 C ATOM 325 C ARG A 77 16.156 -8.987 -4.444 1.00 0.71 C ATOM 326 O ARG A 77 15.117 -8.507 -4.851 1.00 0.73 O ATOM 327 CB ARG A 77 17.719 -7.360 -3.350 1.00 0.85 C ATOM 328 CG ARG A 77 19.171 -6.878 -3.336 1.00 1.19 C ATOM 329 CD ARG A 77 19.423 -6.040 -2.081 1.00 1.52 C ATOM 330 NE ARG A 77 18.364 -5.000 -1.957 1.00 2.13 N ATOM 331 CZ ARG A 77 18.206 -4.360 -0.830 1.00 2.66 C ATOM 332 NH1 ARG A 77 18.980 -4.628 0.185 1.00 2.73 N ATOM 333 NH2 ARG A 77 17.275 -3.453 -0.720 1.00 3.61 N ATOM 0 H ARG A 77 17.100 -6.373 -5.592 1.00 0.74 H new ATOM 0 HA ARG A 77 18.299 -8.927 -4.716 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.041 -6.506 -3.348 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.508 -7.937 -2.450 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.848 -7.732 -3.357 1.00 1.19 H new ATOM 0 HG3 ARG A 77 19.377 -6.286 -4.228 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.425 -6.679 -1.198 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.405 -5.570 -2.136 1.00 1.52 H new ATOM 0 HE ARG A 77 17.762 -4.788 -2.753 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.708 -5.337 0.098 1.00 2.73 H new ATOM 0 HH12 ARG A 77 18.857 -4.128 1.066 1.00 2.73 H new ATOM 0 HH21 ARG A 77 16.670 -3.244 -1.514 1.00 3.61 H new ATOM 0 HH22 ARG A 77 17.152 -2.953 0.160 1.00 3.61 H new ATOM 347 N PRO A 78 16.175 -10.161 -3.857 1.00 0.79 N ATOM 348 CA PRO A 78 14.935 -10.967 -3.651 1.00 0.76 C ATOM 349 C PRO A 78 14.072 -10.387 -2.523 1.00 0.67 C ATOM 350 O PRO A 78 14.543 -10.160 -1.426 1.00 0.69 O ATOM 351 CB PRO A 78 15.470 -12.356 -3.282 1.00 0.86 C ATOM 352 CG PRO A 78 16.789 -12.091 -2.629 1.00 1.18 C ATOM 353 CD PRO A 78 17.367 -10.856 -3.327 1.00 1.06 C ATOM 0 HA PRO A 78 14.289 -10.980 -4.529 1.00 0.76 H new ATOM 0 HB2 PRO A 78 14.791 -12.876 -2.607 1.00 0.86 H new ATOM 0 HB3 PRO A 78 15.584 -12.984 -4.165 1.00 0.86 H new ATOM 0 HG2 PRO A 78 16.666 -11.913 -1.561 1.00 1.18 H new ATOM 0 HG3 PRO A 78 17.456 -12.947 -2.735 1.00 1.18 H new ATOM 0 HD2 PRO A 78 17.921 -10.226 -2.631 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.056 -11.133 -4.125 1.00 1.06 H new ATOM 361 N MET A 79 12.819 -10.131 -2.782 1.00 0.65 N ATOM 362 CA MET A 79 11.943 -9.552 -1.723 1.00 0.61 C ATOM 363 C MET A 79 11.803 -10.549 -0.571 1.00 0.51 C ATOM 364 O MET A 79 11.233 -11.611 -0.723 1.00 0.56 O ATOM 365 CB MET A 79 10.562 -9.252 -2.313 1.00 0.66 C ATOM 366 CG MET A 79 9.738 -8.448 -1.305 1.00 0.74 C ATOM 367 SD MET A 79 10.432 -6.784 -1.145 1.00 1.25 S ATOM 368 CE MET A 79 8.926 -5.968 -0.561 1.00 0.83 C ATOM 0 H MET A 79 12.364 -10.297 -3.680 1.00 0.65 H new ATOM 0 HA MET A 79 12.387 -8.629 -1.349 1.00 0.61 H new ATOM 0 HB2 MET A 79 10.666 -8.692 -3.242 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.050 -10.183 -2.557 1.00 0.66 H new ATOM 0 HG2 MET A 79 8.700 -8.390 -1.632 1.00 0.74 H new ATOM 0 HG3 MET A 79 9.740 -8.949 -0.337 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.188 -5.189 0.155 1.00 0.83 H new ATOM 0 HE2 MET A 79 8.402 -5.523 -1.407 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.279 -6.701 -0.078 1.00 0.83 H new ATOM 378 N THR A 80 12.325 -10.216 0.582 1.00 0.56 N ATOM 379 CA THR A 80 12.229 -11.146 1.747 1.00 0.60 C ATOM 380 C THR A 80 10.954 -10.878 2.526 1.00 0.56 C ATOM 381 O THR A 80 10.530 -9.752 2.673 1.00 0.50 O ATOM 382 CB THR A 80 13.439 -10.955 2.670 1.00 0.77 C ATOM 383 OG1 THR A 80 13.227 -9.833 3.511 1.00 0.94 O ATOM 384 CG2 THR A 80 14.694 -10.730 1.826 1.00 0.73 C ATOM 0 H THR A 80 12.814 -9.340 0.767 1.00 0.56 H new ATOM 0 HA THR A 80 12.214 -12.171 1.375 1.00 0.60 H new ATOM 0 HB THR A 80 13.568 -11.846 3.284 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.001 -9.715 4.100 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.554 -10.594 2.482 1.00 0.73 H new ATOM 0 HG22 THR A 80 14.860 -11.595 1.184 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.563 -9.840 1.210 1.00 0.73 H new ATOM 392 N TYR A 81 10.343 -11.907 3.058 1.00 0.61 N ATOM 393 CA TYR A 81 9.113 -11.690 3.865 1.00 0.60 C ATOM 394 C TYR A 81 9.479 -10.628 4.901 1.00 0.51 C ATOM 395 O TYR A 81 8.743 -9.693 5.153 1.00 0.45 O ATOM 396 CB TYR A 81 8.695 -13.037 4.516 1.00 0.69 C ATOM 397 CG TYR A 81 8.356 -12.874 5.988 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.139 -12.299 6.369 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.263 -13.304 6.966 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.827 -12.153 7.726 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.952 -13.158 8.323 1.00 0.77 C ATOM 402 CZ TYR A 81 7.735 -12.583 8.703 1.00 0.73 C ATOM 403 OH TYR A 81 7.428 -12.440 10.041 1.00 0.90 O ATOM 0 H TYR A 81 10.642 -12.878 2.967 1.00 0.61 H new ATOM 0 HA TYR A 81 8.262 -11.351 3.274 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.832 -13.443 3.988 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.504 -13.759 4.408 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.440 -11.967 5.616 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.203 -13.748 6.673 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.887 -11.709 8.020 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.652 -13.489 9.076 1.00 0.77 H new ATOM 0 HH TYR A 81 8.164 -12.790 10.585 1.00 0.90 H new ATOM 413 N LYS A 82 10.650 -10.754 5.458 1.00 0.52 N ATOM 414 CA LYS A 82 11.120 -9.742 6.427 1.00 0.48 C ATOM 415 C LYS A 82 11.227 -8.400 5.702 1.00 0.40 C ATOM 416 O LYS A 82 11.081 -7.353 6.299 1.00 0.38 O ATOM 417 CB LYS A 82 12.490 -10.145 6.981 1.00 0.55 C ATOM 418 CG LYS A 82 12.781 -9.340 8.251 1.00 0.60 C ATOM 419 CD LYS A 82 14.255 -9.499 8.639 1.00 0.92 C ATOM 420 CE LYS A 82 14.586 -10.983 8.817 1.00 1.49 C ATOM 421 NZ LYS A 82 13.468 -11.661 9.533 1.00 2.32 N ATOM 0 H LYS A 82 11.300 -11.519 5.280 1.00 0.52 H new ATOM 0 HA LYS A 82 10.420 -9.666 7.259 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.506 -11.212 7.202 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.264 -9.962 6.236 1.00 0.55 H new ATOM 0 HG2 LYS A 82 12.550 -8.288 8.087 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.142 -9.683 9.065 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.892 -9.064 7.869 1.00 0.92 H new ATOM 0 HD3 LYS A 82 14.458 -8.958 9.563 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.745 -11.450 7.845 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.513 -11.095 9.380 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 13.838 -12.476 10.062 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 13.023 -10.993 10.194 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 12.762 -11.988 8.843 1.00 2.32 H new ATOM 435 N ALA A 83 11.484 -8.412 4.407 1.00 0.42 N ATOM 436 CA ALA A 83 11.593 -7.106 3.683 1.00 0.41 C ATOM 437 C ALA A 83 10.252 -6.371 3.759 1.00 0.35 C ATOM 438 O ALA A 83 10.203 -5.162 3.876 1.00 0.34 O ATOM 439 CB ALA A 83 11.953 -7.334 2.210 1.00 0.52 C ATOM 0 H ALA A 83 11.619 -9.248 3.838 1.00 0.42 H new ATOM 0 HA ALA A 83 12.377 -6.512 4.152 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.028 -6.373 1.701 1.00 0.52 H new ATOM 0 HB2 ALA A 83 12.909 -7.854 2.145 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.179 -7.937 1.735 1.00 0.52 H new ATOM 445 N ALA A 84 9.165 -7.088 3.688 1.00 0.34 N ATOM 446 CA ALA A 84 7.830 -6.427 3.750 1.00 0.31 C ATOM 447 C ALA A 84 7.637 -5.764 5.116 1.00 0.28 C ATOM 448 O ALA A 84 7.272 -4.609 5.208 1.00 0.28 O ATOM 449 CB ALA A 84 6.734 -7.472 3.534 1.00 0.34 C ATOM 0 H ALA A 84 9.143 -8.103 3.590 1.00 0.34 H new ATOM 0 HA ALA A 84 7.772 -5.666 2.971 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.758 -6.990 3.579 1.00 0.34 H new ATOM 0 HB2 ALA A 84 6.863 -7.939 2.557 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.799 -8.233 4.311 1.00 0.34 H new ATOM 455 N VAL A 85 7.865 -6.487 6.179 1.00 0.29 N ATOM 456 CA VAL A 85 7.677 -5.888 7.533 1.00 0.29 C ATOM 457 C VAL A 85 8.662 -4.740 7.737 1.00 0.29 C ATOM 458 O VAL A 85 8.298 -3.675 8.193 1.00 0.30 O ATOM 459 CB VAL A 85 7.906 -6.958 8.607 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.277 -6.505 9.927 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.262 -8.272 8.158 1.00 0.38 C ATOM 0 H VAL A 85 8.171 -7.460 6.170 1.00 0.29 H new ATOM 0 HA VAL A 85 6.660 -5.505 7.614 1.00 0.29 H new ATOM 0 HB VAL A 85 8.976 -7.106 8.750 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.441 -7.267 10.689 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.735 -5.569 10.246 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.206 -6.356 9.788 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.423 -9.035 8.920 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.192 -8.122 8.015 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.712 -8.596 7.219 1.00 0.38 H new ATOM 471 N ASP A 86 9.902 -4.938 7.398 1.00 0.30 N ATOM 472 CA ASP A 86 10.887 -3.840 7.575 1.00 0.32 C ATOM 473 C ASP A 86 10.410 -2.643 6.758 1.00 0.30 C ATOM 474 O ASP A 86 10.363 -1.528 7.236 1.00 0.31 O ATOM 475 CB ASP A 86 12.261 -4.296 7.072 1.00 0.36 C ATOM 476 CG ASP A 86 12.926 -5.192 8.121 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.714 -4.954 9.298 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.639 -6.101 7.728 1.00 1.23 O ATOM 0 H ASP A 86 10.274 -5.805 7.009 1.00 0.30 H new ATOM 0 HA ASP A 86 10.972 -3.570 8.628 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.153 -4.839 6.133 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.890 -3.429 6.869 1.00 0.36 H new ATOM 483 N LEU A 87 10.040 -2.876 5.532 1.00 0.29 N ATOM 484 CA LEU A 87 9.547 -1.762 4.681 1.00 0.30 C ATOM 485 C LEU A 87 8.254 -1.199 5.273 1.00 0.29 C ATOM 486 O LEU A 87 8.069 -0.001 5.347 1.00 0.30 O ATOM 487 CB LEU A 87 9.279 -2.283 3.265 1.00 0.33 C ATOM 488 CG LEU A 87 8.956 -1.110 2.326 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.203 -0.231 2.106 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.471 -1.669 0.983 1.00 0.44 C ATOM 0 H LEU A 87 10.058 -3.791 5.082 1.00 0.29 H new ATOM 0 HA LEU A 87 10.299 -0.974 4.642 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.150 -2.825 2.897 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.448 -2.988 3.279 1.00 0.33 H new ATOM 0 HG LEU A 87 8.179 -0.493 2.777 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.954 0.594 1.438 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.542 0.166 3.063 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.997 -0.831 1.661 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.239 -0.845 0.308 1.00 0.44 H new ATOM 0 HD22 LEU A 87 9.253 -2.289 0.543 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.576 -2.271 1.141 1.00 0.44 H new ATOM 502 N SER A 88 7.348 -2.048 5.690 1.00 0.30 N ATOM 503 CA SER A 88 6.074 -1.537 6.263 1.00 0.34 C ATOM 504 C SER A 88 6.378 -0.495 7.340 1.00 0.33 C ATOM 505 O SER A 88 5.875 0.610 7.308 1.00 0.36 O ATOM 506 CB SER A 88 5.290 -2.694 6.882 1.00 0.40 C ATOM 507 OG SER A 88 5.838 -3.004 8.156 1.00 0.44 O ATOM 0 H SER A 88 7.438 -3.064 5.657 1.00 0.30 H new ATOM 0 HA SER A 88 5.481 -1.079 5.471 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.239 -2.424 6.981 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.335 -3.568 6.232 1.00 0.40 H new ATOM 0 HG SER A 88 6.650 -3.540 8.041 1.00 0.44 H new ATOM 513 N HIS A 89 7.197 -0.837 8.296 1.00 0.34 N ATOM 514 CA HIS A 89 7.520 0.134 9.376 1.00 0.36 C ATOM 515 C HIS A 89 8.370 1.275 8.817 1.00 0.36 C ATOM 516 O HIS A 89 8.274 2.400 9.263 1.00 0.41 O ATOM 517 CB HIS A 89 8.295 -0.577 10.488 1.00 0.41 C ATOM 518 CG HIS A 89 7.390 -1.546 11.197 1.00 0.52 C ATOM 519 ND1 HIS A 89 6.937 -2.711 10.598 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.847 -1.538 12.458 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.159 -3.350 11.490 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.070 -2.678 12.642 1.00 0.82 N ATOM 0 H HIS A 89 7.655 -1.745 8.375 1.00 0.34 H new ATOM 0 HA HIS A 89 6.592 0.541 9.777 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.151 -1.105 10.068 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.687 0.154 11.196 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.154 -3.026 9.653 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.000 -0.764 13.196 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.666 -4.292 11.299 1.00 1.27 H new ATOM 530 N PHE A 90 9.197 1.010 7.846 1.00 0.34 N ATOM 531 CA PHE A 90 10.025 2.111 7.286 1.00 0.37 C ATOM 532 C PHE A 90 9.092 3.199 6.755 1.00 0.40 C ATOM 533 O PHE A 90 9.221 4.361 7.088 1.00 0.47 O ATOM 534 CB PHE A 90 10.898 1.577 6.148 1.00 0.38 C ATOM 535 CG PHE A 90 11.979 2.584 5.829 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.721 3.629 4.936 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.239 2.473 6.432 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.721 4.564 4.643 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.239 3.408 6.140 1.00 0.69 C ATOM 540 CZ PHE A 90 13.980 4.453 5.245 1.00 0.72 C ATOM 0 H PHE A 90 9.334 0.093 7.421 1.00 0.34 H new ATOM 0 HA PHE A 90 10.673 2.521 8.061 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.345 0.625 6.434 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.288 1.390 5.264 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.750 3.715 4.472 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.439 1.666 7.122 1.00 0.57 H new ATOM 0 HE1 PHE A 90 12.521 5.370 3.953 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.210 3.323 6.605 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.752 5.174 5.019 1.00 0.72 H new ATOM 550 N LEU A 91 8.147 2.827 5.934 1.00 0.37 N ATOM 551 CA LEU A 91 7.196 3.832 5.383 1.00 0.42 C ATOM 552 C LEU A 91 6.402 4.474 6.525 1.00 0.47 C ATOM 553 O LEU A 91 5.968 5.605 6.426 1.00 0.57 O ATOM 554 CB LEU A 91 6.232 3.140 4.406 1.00 0.41 C ATOM 555 CG LEU A 91 6.942 2.872 3.059 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.289 1.682 2.347 1.00 0.42 C ATOM 557 CD2 LEU A 91 6.832 4.106 2.151 1.00 0.54 C ATOM 0 H LEU A 91 7.993 1.868 5.621 1.00 0.37 H new ATOM 0 HA LEU A 91 7.753 4.607 4.856 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.880 2.201 4.834 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.354 3.766 4.245 1.00 0.41 H new ATOM 0 HG LEU A 91 7.990 2.652 3.261 1.00 0.41 H new ATOM 0 HD11 LEU A 91 6.797 1.502 1.399 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.367 0.795 2.975 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.238 1.902 2.159 1.00 0.42 H new ATOM 0 HD21 LEU A 91 7.335 3.907 1.205 1.00 0.54 H new ATOM 0 HD22 LEU A 91 5.781 4.328 1.964 1.00 0.54 H new ATOM 0 HD23 LEU A 91 7.301 4.960 2.639 1.00 0.54 H new ATOM 569 N LYS A 92 6.203 3.770 7.609 1.00 0.45 N ATOM 570 CA LYS A 92 5.432 4.363 8.738 1.00 0.53 C ATOM 571 C LYS A 92 6.188 5.580 9.277 1.00 0.63 C ATOM 572 O LYS A 92 5.608 6.474 9.863 1.00 0.85 O ATOM 573 CB LYS A 92 5.257 3.315 9.846 1.00 0.54 C ATOM 574 CG LYS A 92 4.418 3.887 11.002 1.00 0.73 C ATOM 575 CD LYS A 92 2.981 4.175 10.528 1.00 1.20 C ATOM 576 CE LYS A 92 2.027 4.167 11.727 1.00 1.61 C ATOM 577 NZ LYS A 92 2.506 5.144 12.747 1.00 2.27 N ATOM 0 H LYS A 92 6.538 2.819 7.759 1.00 0.45 H new ATOM 0 HA LYS A 92 4.447 4.676 8.391 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.771 2.427 9.441 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.233 3.003 10.217 1.00 0.54 H new ATOM 0 HG2 LYS A 92 4.400 3.180 11.832 1.00 0.73 H new ATOM 0 HG3 LYS A 92 4.876 4.803 11.374 1.00 0.73 H new ATOM 0 HD2 LYS A 92 2.941 5.142 10.026 1.00 1.20 H new ATOM 0 HD3 LYS A 92 2.671 3.425 9.800 1.00 1.20 H new ATOM 0 HE2 LYS A 92 1.018 4.426 11.405 1.00 1.61 H new ATOM 0 HE3 LYS A 92 1.977 3.168 12.160 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 1.731 5.369 13.403 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.300 4.731 13.277 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 2.822 6.014 12.273 1.00 2.27 H new ATOM 591 N GLU A 93 7.478 5.628 9.077 1.00 0.62 N ATOM 592 CA GLU A 93 8.266 6.791 9.572 1.00 0.76 C ATOM 593 C GLU A 93 7.913 8.033 8.752 1.00 0.77 C ATOM 594 O GLU A 93 7.701 9.104 9.286 1.00 1.05 O ATOM 595 CB GLU A 93 9.762 6.498 9.429 1.00 0.94 C ATOM 596 CG GLU A 93 10.151 5.346 10.357 1.00 1.22 C ATOM 597 CD GLU A 93 11.655 5.086 10.243 1.00 2.00 C ATOM 598 OE1 GLU A 93 12.131 4.964 9.126 1.00 2.73 O ATOM 599 OE2 GLU A 93 12.305 5.017 11.273 1.00 2.54 O ATOM 0 H GLU A 93 8.019 4.912 8.592 1.00 0.62 H new ATOM 0 HA GLU A 93 8.029 6.966 10.621 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.995 6.240 8.396 1.00 0.94 H new ATOM 0 HB3 GLU A 93 10.342 7.388 9.674 1.00 0.94 H new ATOM 0 HG2 GLU A 93 9.890 5.590 11.387 1.00 1.22 H new ATOM 0 HG3 GLU A 93 9.594 4.447 10.092 1.00 1.22 H new ATOM 606 N LYS A 94 7.854 7.901 7.453 1.00 0.80 N ATOM 607 CA LYS A 94 7.520 9.077 6.600 1.00 1.02 C ATOM 608 C LYS A 94 6.024 9.373 6.693 1.00 0.96 C ATOM 609 O LYS A 94 5.571 10.440 6.328 1.00 1.41 O ATOM 610 CB LYS A 94 7.883 8.771 5.145 1.00 1.39 C ATOM 611 CG LYS A 94 9.404 8.701 5.001 1.00 1.63 C ATOM 612 CD LYS A 94 9.759 8.146 3.621 1.00 2.18 C ATOM 613 CE LYS A 94 11.273 8.223 3.413 1.00 2.61 C ATOM 614 NZ LYS A 94 11.657 7.364 2.258 1.00 2.96 N ATOM 0 H LYS A 94 8.022 7.031 6.948 1.00 0.80 H new ATOM 0 HA LYS A 94 8.084 9.943 6.946 1.00 1.02 H new ATOM 0 HB2 LYS A 94 7.434 7.826 4.838 1.00 1.39 H new ATOM 0 HB3 LYS A 94 7.480 9.543 4.489 1.00 1.39 H new ATOM 0 HG2 LYS A 94 9.838 9.692 5.129 1.00 1.63 H new ATOM 0 HG3 LYS A 94 9.825 8.065 5.780 1.00 1.63 H new ATOM 0 HD2 LYS A 94 9.422 7.113 3.535 1.00 2.18 H new ATOM 0 HD3 LYS A 94 9.245 8.715 2.846 1.00 2.18 H new ATOM 0 HE2 LYS A 94 11.574 9.254 3.230 1.00 2.61 H new ATOM 0 HE3 LYS A 94 11.792 7.895 4.313 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 12.609 7.626 1.932 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 11.654 6.366 2.551 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 10.976 7.499 1.483 1.00 2.96 H new ATOM 628 N GLY A 95 5.250 8.443 7.179 1.00 1.12 N ATOM 629 CA GLY A 95 3.785 8.687 7.290 1.00 1.51 C ATOM 630 C GLY A 95 3.230 9.063 5.916 1.00 1.10 C ATOM 631 O GLY A 95 3.790 8.712 4.900 1.00 1.71 O ATOM 0 H GLY A 95 5.566 7.529 7.503 1.00 1.12 H new ATOM 0 HA2 GLY A 95 3.284 7.795 7.666 1.00 1.51 H new ATOM 0 HA3 GLY A 95 3.591 9.487 8.005 1.00 1.51 H new ATOM 635 N GLY A 96 2.140 9.784 5.875 1.00 1.17 N ATOM 636 CA GLY A 96 1.567 10.197 4.564 1.00 0.99 C ATOM 637 C GLY A 96 0.772 9.054 3.928 1.00 0.81 C ATOM 638 O GLY A 96 -0.210 9.282 3.256 1.00 0.83 O ATOM 0 H GLY A 96 1.623 10.104 6.694 1.00 1.17 H new ATOM 0 HA2 GLY A 96 0.919 11.062 4.703 1.00 0.99 H new ATOM 0 HA3 GLY A 96 2.369 10.504 3.893 1.00 0.99 H new ATOM 642 N LEU A 97 1.189 7.829 4.115 1.00 0.67 N ATOM 643 CA LEU A 97 0.449 6.685 3.496 1.00 0.55 C ATOM 644 C LEU A 97 -0.721 6.271 4.395 1.00 0.46 C ATOM 645 O LEU A 97 -1.861 6.266 3.978 1.00 0.49 O ATOM 646 CB LEU A 97 1.404 5.495 3.311 1.00 0.54 C ATOM 647 CG LEU A 97 0.725 4.383 2.483 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.833 4.692 0.983 1.00 0.65 C ATOM 649 CD2 LEU A 97 1.407 3.037 2.763 1.00 0.66 C ATOM 0 H LEU A 97 2.007 7.570 4.667 1.00 0.67 H new ATOM 0 HA LEU A 97 0.060 6.994 2.526 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.314 5.825 2.810 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.700 5.103 4.284 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.326 4.334 2.767 1.00 0.54 H new ATOM 0 HD11 LEU A 97 0.350 3.899 0.412 1.00 0.65 H new ATOM 0 HD12 LEU A 97 0.343 5.642 0.771 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.884 4.755 0.699 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.924 2.255 2.176 1.00 0.66 H new ATOM 0 HD22 LEU A 97 2.460 3.099 2.488 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.322 2.800 3.823 1.00 0.66 H new ATOM 661 N GLU A 98 -0.444 5.911 5.619 1.00 0.44 N ATOM 662 CA GLU A 98 -1.531 5.477 6.549 1.00 0.40 C ATOM 663 C GLU A 98 -2.742 6.400 6.429 1.00 0.40 C ATOM 664 O GLU A 98 -2.633 7.609 6.414 1.00 0.58 O ATOM 665 CB GLU A 98 -1.002 5.503 7.989 1.00 0.49 C ATOM 666 CG GLU A 98 -2.147 5.320 8.995 1.00 0.48 C ATOM 667 CD GLU A 98 -1.567 5.114 10.396 1.00 1.26 C ATOM 668 OE1 GLU A 98 -1.302 6.104 11.057 1.00 2.03 O ATOM 669 OE2 GLU A 98 -1.399 3.971 10.785 1.00 1.94 O ATOM 0 H GLU A 98 0.494 5.898 6.019 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.841 4.466 6.285 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.264 4.713 8.124 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.494 6.449 8.177 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.798 6.194 8.984 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -2.759 4.463 8.714 1.00 0.48 H new ATOM 676 N GLY A 99 -3.897 5.809 6.379 1.00 0.39 N ATOM 677 CA GLY A 99 -5.163 6.592 6.297 1.00 0.42 C ATOM 678 C GLY A 99 -5.260 7.397 4.990 1.00 0.42 C ATOM 679 O GLY A 99 -6.204 8.137 4.791 1.00 0.46 O ATOM 0 H GLY A 99 -4.024 4.797 6.392 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -6.014 5.914 6.369 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -5.224 7.272 7.147 1.00 0.42 H new ATOM 683 N LEU A 100 -4.312 7.279 4.096 1.00 0.41 N ATOM 684 CA LEU A 100 -4.404 8.066 2.822 1.00 0.43 C ATOM 685 C LEU A 100 -5.405 7.403 1.875 1.00 0.42 C ATOM 686 O LEU A 100 -5.205 6.297 1.429 1.00 0.44 O ATOM 687 CB LEU A 100 -3.031 8.129 2.147 1.00 0.45 C ATOM 688 CG LEU A 100 -3.007 9.253 1.096 1.00 0.55 C ATOM 689 CD1 LEU A 100 -3.118 10.639 1.771 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.694 9.163 0.307 1.00 1.17 C ATOM 0 H LEU A 100 -3.489 6.683 4.187 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.738 9.077 3.055 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -2.258 8.304 2.895 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.806 7.173 1.673 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.858 9.134 0.425 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -3.099 11.418 1.008 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -4.053 10.699 2.327 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -2.280 10.779 2.454 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.664 9.955 -0.442 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.851 9.277 0.989 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.632 8.194 -0.187 1.00 1.17 H new ATOM 702 N ILE A 101 -6.486 8.070 1.572 1.00 0.44 N ATOM 703 CA ILE A 101 -7.506 7.465 0.668 1.00 0.45 C ATOM 704 C ILE A 101 -6.914 7.157 -0.712 1.00 0.46 C ATOM 705 O ILE A 101 -6.680 8.031 -1.523 1.00 0.49 O ATOM 706 CB ILE A 101 -8.714 8.408 0.550 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.496 8.403 1.883 1.00 0.51 C ATOM 708 CG2 ILE A 101 -9.630 7.956 -0.593 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.398 7.152 2.011 1.00 0.52 C ATOM 0 H ILE A 101 -6.707 9.006 1.911 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.835 6.518 1.097 1.00 0.45 H new ATOM 0 HB ILE A 101 -8.362 9.417 0.336 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.795 8.433 2.717 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -10.109 9.302 1.949 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -10.482 8.632 -0.666 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -9.075 7.969 -1.531 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.986 6.945 -0.396 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.932 7.184 2.961 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -11.116 7.136 1.191 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.782 6.254 1.971 1.00 0.52 H new ATOM 721 N HIS A 102 -6.703 5.893 -0.978 1.00 0.47 N ATOM 722 CA HIS A 102 -6.162 5.456 -2.294 1.00 0.51 C ATOM 723 C HIS A 102 -7.190 5.781 -3.380 1.00 0.58 C ATOM 724 O HIS A 102 -8.256 5.185 -3.439 1.00 0.64 O ATOM 725 CB HIS A 102 -5.905 3.935 -2.248 1.00 0.57 C ATOM 726 CG HIS A 102 -5.786 3.361 -3.638 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.892 3.152 -4.446 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.705 2.922 -4.362 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.456 2.607 -5.596 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.131 2.446 -5.599 1.00 0.70 N ATOM 0 H HIS A 102 -6.888 5.133 -0.323 1.00 0.47 H new ATOM 0 HA HIS A 102 -5.227 5.972 -2.514 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.991 3.734 -1.689 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.719 3.442 -1.716 1.00 0.57 H new ATOM 0 HD1 HIS A 102 -7.860 3.371 -4.212 1.00 1.41 H new ATOM 0 HD2 HIS A 102 -3.680 2.943 -4.023 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.101 2.333 -6.418 1.00 1.36 H new ATOM 738 N SER A 103 -6.872 6.720 -4.233 1.00 0.60 N ATOM 739 CA SER A 103 -7.803 7.096 -5.332 1.00 0.69 C ATOM 740 C SER A 103 -7.798 5.994 -6.393 1.00 0.76 C ATOM 741 O SER A 103 -8.608 5.088 -6.371 1.00 0.85 O ATOM 742 CB SER A 103 -7.342 8.411 -5.962 1.00 0.74 C ATOM 743 OG SER A 103 -8.053 8.624 -7.174 1.00 1.49 O ATOM 0 H SER A 103 -5.998 7.246 -4.213 1.00 0.60 H new ATOM 0 HA SER A 103 -8.810 7.218 -4.934 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.516 9.238 -5.274 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.270 8.379 -6.156 1.00 0.74 H new ATOM 0 HG SER A 103 -7.762 9.467 -7.580 1.00 1.49 H new ATOM 749 N GLN A 104 -6.880 6.068 -7.320 1.00 0.81 N ATOM 750 CA GLN A 104 -6.801 5.031 -8.387 1.00 0.92 C ATOM 751 C GLN A 104 -5.471 5.173 -9.137 1.00 0.93 C ATOM 752 O GLN A 104 -5.389 4.939 -10.325 1.00 1.37 O ATOM 753 CB GLN A 104 -7.966 5.205 -9.363 1.00 1.06 C ATOM 754 CG GLN A 104 -7.939 6.615 -9.955 1.00 1.76 C ATOM 755 CD GLN A 104 -9.257 6.885 -10.683 1.00 2.14 C ATOM 756 OE1 GLN A 104 -9.729 8.004 -10.713 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.875 5.900 -11.275 1.00 2.70 N ATOM 0 H GLN A 104 -6.179 6.806 -7.383 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.859 4.040 -7.936 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.898 4.465 -10.160 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -8.912 5.034 -8.849 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.790 7.351 -9.165 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -7.102 6.715 -10.646 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -9.479 4.961 -11.250 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.754 6.070 -11.763 1.00 2.70 H new ATOM 766 N ARG A 105 -4.428 5.552 -8.445 1.00 0.83 N ATOM 767 CA ARG A 105 -3.101 5.704 -9.112 1.00 0.87 C ATOM 768 C ARG A 105 -2.020 5.942 -8.051 1.00 0.74 C ATOM 769 O ARG A 105 -0.840 5.757 -8.294 1.00 0.70 O ATOM 770 CB ARG A 105 -3.147 6.895 -10.079 1.00 1.06 C ATOM 771 CG ARG A 105 -1.986 6.796 -11.072 1.00 1.71 C ATOM 772 CD ARG A 105 -2.031 7.982 -12.038 1.00 1.99 C ATOM 773 NE ARG A 105 -3.345 8.000 -12.742 1.00 2.86 N ATOM 774 CZ ARG A 105 -3.720 9.064 -13.397 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.942 10.112 -13.440 1.00 3.73 N ATOM 776 NH2 ARG A 105 -4.872 9.081 -14.011 1.00 4.61 N ATOM 0 H ARG A 105 -4.438 5.763 -7.447 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.867 4.796 -9.669 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -4.097 6.905 -10.614 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -3.084 7.830 -9.523 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -1.037 6.787 -10.537 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -2.048 5.860 -11.627 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -1.886 8.915 -11.493 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.220 7.906 -12.762 1.00 1.99 H new ATOM 0 HE ARG A 105 -3.951 7.180 -12.712 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -2.041 10.098 -12.962 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -3.235 10.944 -13.952 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -5.479 8.262 -13.979 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -5.165 9.913 -14.523 1.00 4.61 H new ATOM 790 N ARG A 106 -2.410 6.349 -6.874 1.00 0.71 N ATOM 791 CA ARG A 106 -1.404 6.593 -5.804 1.00 0.65 C ATOM 792 C ARG A 106 -0.575 5.324 -5.598 1.00 0.54 C ATOM 793 O ARG A 106 0.580 5.377 -5.224 1.00 0.50 O ATOM 794 CB ARG A 106 -2.119 6.964 -4.498 1.00 0.70 C ATOM 795 CG ARG A 106 -1.127 7.638 -3.534 1.00 1.01 C ATOM 796 CD ARG A 106 -0.927 9.128 -3.910 1.00 1.24 C ATOM 797 NE ARG A 106 0.533 9.468 -3.916 1.00 1.86 N ATOM 798 CZ ARG A 106 1.321 9.106 -2.935 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.835 8.517 -1.879 1.00 2.86 N ATOM 800 NH2 ARG A 106 2.599 9.362 -3.005 1.00 3.29 N ATOM 0 H ARG A 106 -3.379 6.523 -6.608 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.749 7.414 -6.096 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.951 7.636 -4.707 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -2.539 6.071 -4.036 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -1.497 7.562 -2.511 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.170 7.118 -3.566 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.358 9.324 -4.892 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -1.453 9.764 -3.198 1.00 1.24 H new ATOM 0 HE ARG A 106 0.921 9.992 -4.701 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -0.166 8.335 -1.812 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.456 8.238 -1.119 1.00 2.86 H new ATOM 0 HH21 ARG A 106 2.979 9.842 -3.821 1.00 3.29 H new ATOM 0 HH22 ARG A 106 3.218 9.082 -2.244 1.00 3.29 H new ATOM 814 N GLN A 107 -1.153 4.182 -5.850 1.00 0.55 N ATOM 815 CA GLN A 107 -0.393 2.911 -5.680 1.00 0.52 C ATOM 816 C GLN A 107 0.794 2.917 -6.644 1.00 0.49 C ATOM 817 O GLN A 107 1.887 2.511 -6.302 1.00 0.44 O ATOM 818 CB GLN A 107 -1.306 1.721 -5.998 1.00 0.63 C ATOM 819 CG GLN A 107 -0.485 0.426 -6.021 1.00 1.11 C ATOM 820 CD GLN A 107 -1.429 -0.776 -6.073 1.00 1.53 C ATOM 821 OE1 GLN A 107 -1.522 -1.446 -7.081 1.00 2.13 O ATOM 822 NE2 GLN A 107 -2.136 -1.081 -5.020 1.00 2.12 N ATOM 0 H GLN A 107 -2.117 4.074 -6.166 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.038 2.824 -4.653 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -2.096 1.648 -5.251 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -1.792 1.871 -6.962 1.00 0.63 H new ATOM 0 HG2 GLN A 107 0.178 0.419 -6.886 1.00 1.11 H new ATOM 0 HG3 GLN A 107 0.147 0.368 -5.135 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.058 -0.518 -4.173 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -2.767 -1.882 -5.044 1.00 2.12 H new ATOM 831 N ASP A 108 0.586 3.379 -7.845 1.00 0.56 N ATOM 832 CA ASP A 108 1.697 3.417 -8.834 1.00 0.59 C ATOM 833 C ASP A 108 2.857 4.235 -8.262 1.00 0.54 C ATOM 834 O ASP A 108 4.011 3.919 -8.467 1.00 0.54 O ATOM 835 CB ASP A 108 1.204 4.061 -10.132 1.00 0.72 C ATOM 836 CG ASP A 108 0.189 3.136 -10.806 1.00 0.81 C ATOM 837 OD1 ASP A 108 0.510 1.974 -10.997 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.894 3.604 -11.120 1.00 1.33 O ATOM 0 H ASP A 108 -0.308 3.733 -8.185 1.00 0.56 H new ATOM 0 HA ASP A 108 2.036 2.402 -9.042 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.747 5.028 -9.920 1.00 0.72 H new ATOM 0 HB3 ASP A 108 2.044 4.246 -10.801 1.00 0.72 H new ATOM 843 N ILE A 109 2.560 5.285 -7.543 1.00 0.55 N ATOM 844 CA ILE A 109 3.654 6.117 -6.958 1.00 0.54 C ATOM 845 C ILE A 109 4.335 5.345 -5.823 1.00 0.47 C ATOM 846 O ILE A 109 5.492 5.558 -5.520 1.00 0.53 O ATOM 847 CB ILE A 109 3.070 7.425 -6.415 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.545 8.266 -7.582 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.161 8.207 -5.672 1.00 0.63 C ATOM 850 CD1 ILE A 109 1.753 9.459 -7.044 1.00 1.47 C ATOM 0 H ILE A 109 1.613 5.602 -7.336 1.00 0.55 H new ATOM 0 HA ILE A 109 4.389 6.344 -7.730 1.00 0.54 H new ATOM 0 HB ILE A 109 2.255 7.202 -5.727 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.377 8.616 -8.194 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.910 7.656 -8.225 1.00 0.70 H new ATOM 0 HG21 ILE A 109 3.743 9.137 -5.287 1.00 0.63 H new ATOM 0 HG22 ILE A 109 4.538 7.608 -4.843 1.00 0.63 H new ATOM 0 HG23 ILE A 109 4.978 8.433 -6.358 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.381 10.055 -7.878 1.00 1.47 H new ATOM 0 HD12 ILE A 109 0.912 9.100 -6.451 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.401 10.074 -6.419 1.00 1.47 H new ATOM 862 N LEU A 110 3.625 4.452 -5.190 1.00 0.43 N ATOM 863 CA LEU A 110 4.225 3.667 -4.071 1.00 0.39 C ATOM 864 C LEU A 110 5.169 2.600 -4.639 1.00 0.38 C ATOM 865 O LEU A 110 6.359 2.619 -4.400 1.00 0.38 O ATOM 866 CB LEU A 110 3.091 2.999 -3.273 1.00 0.42 C ATOM 867 CG LEU A 110 3.646 1.937 -2.313 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.764 2.536 -1.454 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.516 1.449 -1.403 1.00 0.66 C ATOM 0 H LEU A 110 2.652 4.231 -5.399 1.00 0.43 H new ATOM 0 HA LEU A 110 4.795 4.325 -3.415 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.545 3.755 -2.709 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.381 2.538 -3.960 1.00 0.42 H new ATOM 0 HG LEU A 110 4.049 1.105 -2.890 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.150 1.774 -0.777 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.568 2.890 -2.099 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.370 3.371 -0.874 1.00 0.56 H new ATOM 0 HD21 LEU A 110 2.901 0.694 -0.718 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.120 2.289 -0.832 1.00 0.66 H new ATOM 0 HD23 LEU A 110 1.721 1.016 -2.010 1.00 0.66 H new ATOM 881 N ASP A 111 4.641 1.664 -5.377 1.00 0.40 N ATOM 882 CA ASP A 111 5.492 0.581 -5.951 1.00 0.42 C ATOM 883 C ASP A 111 6.668 1.170 -6.739 1.00 0.43 C ATOM 884 O ASP A 111 7.774 0.669 -6.680 1.00 0.42 O ATOM 885 CB ASP A 111 4.644 -0.285 -6.884 1.00 0.50 C ATOM 886 CG ASP A 111 3.540 -0.974 -6.078 1.00 0.59 C ATOM 887 OD1 ASP A 111 2.891 -0.295 -5.299 1.00 1.30 O ATOM 888 OD2 ASP A 111 3.363 -2.169 -6.253 1.00 1.19 O ATOM 0 H ASP A 111 3.650 1.601 -5.610 1.00 0.40 H new ATOM 0 HA ASP A 111 5.888 -0.021 -5.133 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.205 0.330 -7.670 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.270 -1.030 -7.375 1.00 0.50 H new ATOM 893 N LEU A 112 6.441 2.208 -7.495 1.00 0.48 N ATOM 894 CA LEU A 112 7.549 2.798 -8.304 1.00 0.52 C ATOM 895 C LEU A 112 8.638 3.367 -7.389 1.00 0.48 C ATOM 896 O LEU A 112 9.796 3.023 -7.512 1.00 0.47 O ATOM 897 CB LEU A 112 6.984 3.908 -9.200 1.00 0.60 C ATOM 898 CG LEU A 112 8.113 4.617 -9.966 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.951 3.592 -10.745 1.00 1.45 C ATOM 900 CD2 LEU A 112 7.497 5.622 -10.946 1.00 1.26 C ATOM 0 H LEU A 112 5.539 2.674 -7.589 1.00 0.48 H new ATOM 0 HA LEU A 112 7.994 2.018 -8.922 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.270 3.484 -9.906 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.440 4.631 -8.592 1.00 0.60 H new ATOM 0 HG LEU A 112 8.759 5.134 -9.257 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.747 4.107 -11.283 1.00 1.45 H new ATOM 0 HD12 LEU A 112 9.388 2.875 -10.050 1.00 1.45 H new ATOM 0 HD13 LEU A 112 8.314 3.066 -11.456 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.291 6.130 -11.494 1.00 1.26 H new ATOM 0 HD22 LEU A 112 6.851 5.096 -11.648 1.00 1.26 H new ATOM 0 HD23 LEU A 112 6.911 6.356 -10.394 1.00 1.26 H new ATOM 912 N TRP A 113 8.289 4.235 -6.479 1.00 0.48 N ATOM 913 CA TRP A 113 9.328 4.816 -5.579 1.00 0.48 C ATOM 914 C TRP A 113 10.185 3.688 -5.000 1.00 0.43 C ATOM 915 O TRP A 113 11.397 3.778 -4.957 1.00 0.45 O ATOM 916 CB TRP A 113 8.648 5.589 -4.444 1.00 0.52 C ATOM 917 CG TRP A 113 9.675 6.046 -3.454 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.454 7.144 -3.588 1.00 0.66 C ATOM 919 CD2 TRP A 113 10.044 5.437 -2.183 1.00 0.55 C ATOM 920 NE1 TRP A 113 11.276 7.248 -2.480 1.00 0.70 N ATOM 921 CE2 TRP A 113 11.061 6.217 -1.585 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.598 4.293 -1.498 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.616 5.874 -0.350 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.152 3.943 -0.258 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.160 4.732 0.316 1.00 0.67 C ATOM 0 H TRP A 113 7.337 4.566 -6.320 1.00 0.48 H new ATOM 0 HA TRP A 113 9.964 5.498 -6.144 1.00 0.48 H new ATOM 0 HB2 TRP A 113 8.111 6.448 -4.847 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.911 4.955 -3.951 1.00 0.52 H new ATOM 0 HD1 TRP A 113 10.437 7.828 -4.424 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.957 7.994 -2.341 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.822 3.679 -1.930 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.391 6.486 0.087 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.801 3.061 0.258 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.583 4.458 1.271 1.00 0.67 H new ATOM 936 N ILE A 114 9.572 2.625 -4.560 1.00 0.39 N ATOM 937 CA ILE A 114 10.361 1.496 -3.995 1.00 0.37 C ATOM 938 C ILE A 114 11.337 0.973 -5.052 1.00 0.39 C ATOM 939 O ILE A 114 12.398 0.471 -4.738 1.00 0.44 O ATOM 940 CB ILE A 114 9.415 0.365 -3.574 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.448 0.888 -2.505 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.238 -0.797 -3.009 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.401 -0.179 -2.163 1.00 1.00 C ATOM 0 H ILE A 114 8.561 2.489 -4.567 1.00 0.39 H new ATOM 0 HA ILE A 114 10.918 1.847 -3.126 1.00 0.37 H new ATOM 0 HB ILE A 114 8.845 0.017 -4.435 1.00 0.37 H new ATOM 0 HG12 ILE A 114 9.002 1.163 -1.608 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.953 1.791 -2.864 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.570 -1.604 -2.708 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.926 -1.161 -3.773 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.805 -0.454 -2.144 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.722 0.208 -1.403 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.835 -0.434 -3.059 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.900 -1.070 -1.784 1.00 1.00 H new ATOM 955 N TYR A 115 10.976 1.065 -6.303 1.00 0.40 N ATOM 956 CA TYR A 115 11.869 0.553 -7.383 1.00 0.46 C ATOM 957 C TYR A 115 13.185 1.347 -7.437 1.00 0.51 C ATOM 958 O TYR A 115 14.255 0.796 -7.271 1.00 0.54 O ATOM 959 CB TYR A 115 11.138 0.671 -8.727 1.00 0.53 C ATOM 960 CG TYR A 115 11.757 -0.271 -9.738 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.533 -1.650 -9.639 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.552 0.236 -10.774 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.104 -2.521 -10.574 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.123 -0.635 -11.708 1.00 0.82 C ATOM 965 CZ TYR A 115 12.900 -2.014 -11.608 1.00 0.77 C ATOM 966 OH TYR A 115 13.463 -2.873 -12.530 1.00 0.87 O ATOM 0 H TYR A 115 10.099 1.474 -6.625 1.00 0.40 H new ATOM 0 HA TYR A 115 12.113 -0.489 -7.175 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.082 0.436 -8.598 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.194 1.697 -9.092 1.00 0.53 H new ATOM 0 HD1 TYR A 115 10.920 -2.041 -8.841 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.724 1.299 -10.852 1.00 0.74 H new ATOM 0 HE1 TYR A 115 11.931 -3.584 -10.498 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.736 -0.244 -12.506 1.00 0.82 H new ATOM 0 HH TYR A 115 13.023 -3.747 -12.474 1.00 0.87 H new ATOM 976 N HIS A 116 13.118 2.625 -7.701 1.00 0.58 N ATOM 977 CA HIS A 116 14.368 3.441 -7.803 1.00 0.67 C ATOM 978 C HIS A 116 15.141 3.428 -6.468 1.00 0.67 C ATOM 979 O HIS A 116 16.318 3.721 -6.431 1.00 0.81 O ATOM 980 CB HIS A 116 13.987 4.887 -8.237 1.00 0.79 C ATOM 981 CG HIS A 116 14.328 5.911 -7.180 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.429 6.286 -6.194 1.00 1.99 N ATOM 983 CD2 HIS A 116 15.464 6.650 -6.952 1.00 2.05 C ATOM 984 CE1 HIS A 116 14.033 7.212 -5.426 1.00 2.71 C ATOM 985 NE2 HIS A 116 15.274 7.470 -5.845 1.00 2.74 N ATOM 0 H HIS A 116 12.251 3.142 -7.851 1.00 0.58 H new ATOM 0 HA HIS A 116 15.032 3.011 -8.553 1.00 0.67 H new ATOM 0 HB2 HIS A 116 14.508 5.135 -9.162 1.00 0.79 H new ATOM 0 HB3 HIS A 116 12.919 4.930 -8.451 1.00 0.79 H new ATOM 0 HD2 HIS A 116 16.367 6.601 -7.543 1.00 2.05 H new ATOM 0 HE1 HIS A 116 13.570 7.688 -4.574 1.00 2.71 H new ATOM 0 HE2 HIS A 116 15.940 8.128 -5.440 1.00 2.74 H new ATOM 993 N THR A 117 14.496 3.107 -5.375 1.00 0.63 N ATOM 994 CA THR A 117 15.213 3.101 -4.058 1.00 0.68 C ATOM 995 C THR A 117 15.716 1.691 -3.738 1.00 0.66 C ATOM 996 O THR A 117 16.904 1.432 -3.743 1.00 0.73 O ATOM 997 CB THR A 117 14.257 3.555 -2.952 1.00 0.80 C ATOM 998 OG1 THR A 117 13.060 2.796 -3.022 1.00 0.85 O ATOM 999 CG2 THR A 117 13.933 5.041 -3.126 1.00 0.91 C ATOM 0 H THR A 117 13.510 2.850 -5.334 1.00 0.63 H new ATOM 0 HA THR A 117 16.062 3.782 -4.116 1.00 0.68 H new ATOM 0 HB THR A 117 14.729 3.402 -1.981 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.472 3.175 -3.709 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.252 5.360 -2.337 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.853 5.623 -3.069 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.463 5.200 -4.097 1.00 0.91 H new ATOM 1007 N GLN A 118 14.828 0.780 -3.449 1.00 0.73 N ATOM 1008 CA GLN A 118 15.266 -0.606 -3.119 1.00 0.83 C ATOM 1009 C GLN A 118 15.602 -1.356 -4.408 1.00 0.72 C ATOM 1010 O GLN A 118 16.738 -1.719 -4.644 1.00 0.91 O ATOM 1011 CB GLN A 118 14.143 -1.329 -2.369 1.00 1.06 C ATOM 1012 CG GLN A 118 13.642 -0.440 -1.223 1.00 1.48 C ATOM 1013 CD GLN A 118 12.824 -1.276 -0.233 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.107 -1.285 0.949 1.00 2.89 O ATOM 1015 NE2 GLN A 118 11.817 -1.985 -0.665 1.00 2.13 N ATOM 0 H GLN A 118 13.820 0.935 -3.427 1.00 0.73 H new ATOM 0 HA GLN A 118 16.153 -0.570 -2.487 1.00 0.83 H new ATOM 0 HB2 GLN A 118 13.324 -1.558 -3.051 1.00 1.06 H new ATOM 0 HB3 GLN A 118 14.506 -2.279 -1.976 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.488 0.020 -0.712 1.00 1.48 H new ATOM 0 HG3 GLN A 118 13.030 0.370 -1.620 1.00 1.48 H new ATOM 0 HE21 GLN A 118 11.577 -1.979 -1.656 1.00 2.13 H new ATOM 0 HE22 GLN A 118 11.270 -2.545 -0.011 1.00 2.13 H new ATOM 1024 N GLY A 119 14.622 -1.588 -5.244 1.00 0.86 N ATOM 1025 CA GLY A 119 14.866 -2.314 -6.532 1.00 0.85 C ATOM 1026 C GLY A 119 14.086 -3.626 -6.528 1.00 0.65 C ATOM 1027 O GLY A 119 14.290 -4.485 -7.362 1.00 0.67 O ATOM 0 H GLY A 119 13.655 -1.304 -5.090 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.556 -1.696 -7.375 1.00 0.85 H new ATOM 0 HA3 GLY A 119 15.931 -2.511 -6.655 1.00 0.85 H new ATOM 1031 N TYR A 120 13.193 -3.791 -5.595 1.00 0.54 N ATOM 1032 CA TYR A 120 12.405 -5.049 -5.544 1.00 0.44 C ATOM 1033 C TYR A 120 11.345 -5.021 -6.641 1.00 0.49 C ATOM 1034 O TYR A 120 10.668 -4.032 -6.842 1.00 0.70 O ATOM 1035 CB TYR A 120 11.745 -5.182 -4.172 1.00 0.48 C ATOM 1036 CG TYR A 120 12.809 -5.511 -3.150 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.472 -6.739 -3.209 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.134 -4.588 -2.153 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.465 -7.042 -2.268 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.124 -4.889 -1.213 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.791 -6.117 -1.270 1.00 0.75 C ATOM 1042 OH TYR A 120 15.768 -6.415 -0.342 1.00 0.91 O ATOM 0 H TYR A 120 12.976 -3.110 -4.867 1.00 0.54 H new ATOM 0 HA TYR A 120 13.061 -5.905 -5.703 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.239 -4.254 -3.905 1.00 0.48 H new ATOM 0 HB3 TYR A 120 10.986 -5.964 -4.192 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.220 -7.454 -3.978 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.619 -3.640 -2.108 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.979 -7.991 -2.313 1.00 0.71 H new ATOM 0 HE2 TYR A 120 14.374 -4.174 -0.443 1.00 0.71 H new ATOM 0 HH TYR A 120 15.870 -5.663 0.279 1.00 0.91 H new ATOM 1052 N PHE A 121 11.205 -6.096 -7.362 1.00 0.48 N ATOM 1053 CA PHE A 121 10.198 -6.128 -8.460 1.00 0.57 C ATOM 1054 C PHE A 121 8.791 -6.262 -7.839 1.00 0.55 C ATOM 1055 O PHE A 121 8.611 -6.993 -6.886 1.00 0.59 O ATOM 1056 CB PHE A 121 10.505 -7.336 -9.388 1.00 0.68 C ATOM 1057 CG PHE A 121 10.677 -6.884 -10.825 1.00 1.42 C ATOM 1058 CD1 PHE A 121 11.915 -6.397 -11.261 1.00 2.32 C ATOM 1059 CD2 PHE A 121 9.600 -6.955 -11.717 1.00 2.33 C ATOM 1060 CE1 PHE A 121 12.076 -5.983 -12.589 1.00 3.44 C ATOM 1061 CE2 PHE A 121 9.761 -6.540 -13.044 1.00 3.43 C ATOM 1062 CZ PHE A 121 10.999 -6.055 -13.480 1.00 3.85 C ATOM 0 H PHE A 121 11.743 -6.954 -7.240 1.00 0.48 H new ATOM 0 HA PHE A 121 10.239 -5.212 -9.049 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.411 -7.839 -9.050 1.00 0.68 H new ATOM 0 HB3 PHE A 121 9.695 -8.063 -9.326 1.00 0.68 H new ATOM 0 HD1 PHE A 121 12.746 -6.341 -10.573 1.00 2.32 H new ATOM 0 HD2 PHE A 121 8.645 -7.330 -11.381 1.00 2.33 H new ATOM 0 HE1 PHE A 121 13.031 -5.608 -12.926 1.00 3.44 H new ATOM 0 HE2 PHE A 121 8.930 -6.594 -13.731 1.00 3.43 H new ATOM 0 HZ PHE A 121 11.124 -5.736 -14.504 1.00 3.85 H new ATOM 1072 N PRO A 122 7.801 -5.569 -8.361 1.00 0.64 N ATOM 1073 CA PRO A 122 6.413 -5.641 -7.819 1.00 0.67 C ATOM 1074 C PRO A 122 5.725 -6.970 -8.151 1.00 0.73 C ATOM 1075 O PRO A 122 5.164 -7.152 -9.213 1.00 1.19 O ATOM 1076 CB PRO A 122 5.697 -4.464 -8.497 1.00 0.80 C ATOM 1077 CG PRO A 122 6.422 -4.279 -9.790 1.00 1.05 C ATOM 1078 CD PRO A 122 7.881 -4.646 -9.512 1.00 0.87 C ATOM 0 HA PRO A 122 6.397 -5.585 -6.731 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.642 -4.683 -8.661 1.00 0.80 H new ATOM 0 HB3 PRO A 122 5.744 -3.564 -7.883 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.001 -4.916 -10.568 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.338 -3.250 -10.140 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.345 -5.123 -10.375 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.477 -3.764 -9.277 1.00 0.87 H new ATOM 1086 N ASP A 123 5.761 -7.888 -7.232 1.00 0.56 N ATOM 1087 CA ASP A 123 5.112 -9.210 -7.441 1.00 0.64 C ATOM 1088 C ASP A 123 4.772 -9.768 -6.065 1.00 0.58 C ATOM 1089 O ASP A 123 4.650 -10.961 -5.867 1.00 0.65 O ATOM 1090 CB ASP A 123 6.077 -10.155 -8.161 1.00 0.74 C ATOM 1091 CG ASP A 123 7.456 -10.068 -7.509 1.00 0.77 C ATOM 1092 OD1 ASP A 123 7.568 -10.445 -6.354 1.00 1.38 O ATOM 1093 OD2 ASP A 123 8.378 -9.626 -8.175 1.00 1.27 O ATOM 0 H ASP A 123 6.221 -7.777 -6.328 1.00 0.56 H new ATOM 0 HA ASP A 123 4.214 -9.109 -8.051 1.00 0.64 H new ATOM 0 HB2 ASP A 123 5.704 -11.178 -8.113 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.144 -9.889 -9.216 1.00 0.74 H new ATOM 1098 N TRP A 124 4.639 -8.886 -5.105 1.00 0.53 N ATOM 1099 CA TRP A 124 4.326 -9.300 -3.706 1.00 0.52 C ATOM 1100 C TRP A 124 3.084 -8.560 -3.226 1.00 0.51 C ATOM 1101 O TRP A 124 2.352 -9.021 -2.374 1.00 0.55 O ATOM 1102 CB TRP A 124 5.508 -8.927 -2.813 1.00 0.49 C ATOM 1103 CG TRP A 124 5.812 -7.470 -2.989 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.660 -6.949 -3.911 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.274 -6.339 -2.248 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.686 -5.573 -3.768 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.846 -5.148 -2.758 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.358 -6.231 -1.188 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.519 -3.897 -2.236 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.025 -4.974 -0.661 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.605 -3.809 -1.183 1.00 0.55 C ATOM 0 H TRP A 124 4.736 -7.879 -5.237 1.00 0.53 H new ATOM 0 HA TRP A 124 4.147 -10.374 -3.666 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.273 -9.139 -1.770 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.380 -9.528 -3.072 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.223 -7.516 -4.638 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.256 -4.949 -4.339 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.907 -7.122 -0.776 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.969 -3.003 -2.642 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.317 -4.903 0.152 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.345 -2.845 -0.772 1.00 0.55 H new ATOM 1122 N GLN A 125 2.855 -7.416 -3.776 1.00 0.53 N ATOM 1123 CA GLN A 125 1.668 -6.609 -3.378 1.00 0.60 C ATOM 1124 C GLN A 125 0.412 -7.205 -4.013 1.00 0.66 C ATOM 1125 O GLN A 125 0.222 -7.146 -5.212 1.00 0.84 O ATOM 1126 CB GLN A 125 1.847 -5.166 -3.854 1.00 0.69 C ATOM 1127 CG GLN A 125 0.694 -4.309 -3.327 1.00 1.56 C ATOM 1128 CD GLN A 125 1.014 -2.829 -3.545 1.00 2.18 C ATOM 1129 OE1 GLN A 125 0.711 -2.277 -4.583 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.618 -2.158 -2.602 1.00 2.82 N ATOM 0 H GLN A 125 3.442 -6.992 -4.495 1.00 0.53 H new ATOM 0 HA GLN A 125 1.567 -6.621 -2.293 1.00 0.60 H new ATOM 0 HB2 GLN A 125 2.799 -4.771 -3.501 1.00 0.69 H new ATOM 0 HB3 GLN A 125 1.872 -5.131 -4.943 1.00 0.69 H new ATOM 0 HG2 GLN A 125 -0.231 -4.571 -3.840 1.00 1.56 H new ATOM 0 HG3 GLN A 125 0.537 -4.505 -2.266 1.00 1.56 H new ATOM 0 HE21 GLN A 125 1.873 -2.621 -1.730 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.835 -1.171 -2.738 1.00 2.82 H new ATOM 1139 N ASN A 126 -0.450 -7.777 -3.219 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.698 -8.377 -3.774 1.00 0.72 C ATOM 1141 C ASN A 126 -2.785 -8.364 -2.700 1.00 0.69 C ATOM 1142 O ASN A 126 -2.547 -7.992 -1.567 1.00 1.22 O ATOM 1143 CB ASN A 126 -1.420 -9.818 -4.210 1.00 0.84 C ATOM 1144 CG ASN A 126 -0.365 -9.815 -5.318 1.00 0.89 C ATOM 1145 OD1 ASN A 126 -0.686 -9.633 -6.476 1.00 1.53 O ATOM 1146 ND2 ASN A 126 0.888 -10.009 -5.012 1.00 0.88 N ATOM 0 H ASN A 126 -0.345 -7.856 -2.207 1.00 0.64 H new ATOM 0 HA ASN A 126 -2.032 -7.799 -4.635 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -1.071 -10.406 -3.361 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -2.338 -10.286 -4.567 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.598 -10.008 -5.744 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.158 -10.162 -4.040 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.979 -8.768 -3.043 1.00 0.69 N ATOM 1154 CA TYR A 127 -5.087 -8.775 -2.043 1.00 0.61 C ATOM 1155 C TYR A 127 -6.211 -9.683 -2.545 1.00 0.63 C ATOM 1156 O TYR A 127 -6.145 -10.227 -3.629 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.657 -7.353 -1.856 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.550 -6.328 -1.806 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -4.033 -5.799 -2.995 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -4.045 -5.899 -0.572 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -3.012 -4.844 -2.952 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -3.023 -4.944 -0.529 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.506 -4.416 -1.719 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.500 -3.472 -1.675 1.00 1.48 O ATOM 0 H TYR A 127 -4.236 -9.094 -3.975 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.695 -9.135 -1.092 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -6.337 -7.119 -2.675 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -6.240 -7.309 -0.936 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.423 -6.129 -3.947 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -4.444 -6.305 0.346 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.614 -4.437 -3.870 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.633 -4.614 0.422 1.00 1.19 H new ATOM 0 HH TYR A 127 -1.606 -2.918 -0.873 1.00 1.48 H new ATOM 1174 N THR A 128 -7.245 -9.845 -1.765 1.00 0.62 N ATOM 1175 CA THR A 128 -8.374 -10.715 -2.204 1.00 0.68 C ATOM 1176 C THR A 128 -8.992 -10.107 -3.473 1.00 0.75 C ATOM 1177 O THR A 128 -8.588 -9.050 -3.912 1.00 0.97 O ATOM 1178 CB THR A 128 -9.435 -10.815 -1.085 1.00 0.86 C ATOM 1179 OG1 THR A 128 -10.555 -10.001 -1.410 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.845 -10.347 0.245 1.00 0.90 C ATOM 0 H THR A 128 -7.357 -9.415 -0.847 1.00 0.62 H new ATOM 0 HA THR A 128 -8.009 -11.720 -2.416 1.00 0.68 H new ATOM 0 HB THR A 128 -9.749 -11.855 -0.994 1.00 0.86 H new ATOM 0 HG1 THR A 128 -11.226 -10.069 -0.699 1.00 1.22 H new ATOM 0 HG21 THR A 128 -9.602 -10.422 1.025 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.992 -10.974 0.505 1.00 0.90 H new ATOM 0 HG23 THR A 128 -8.519 -9.311 0.154 1.00 0.90 H new ATOM 1249 N ARG A 134 -10.086 -5.185 1.392 1.00 0.51 N ATOM 1250 CA ARG A 134 -9.093 -6.014 0.650 1.00 0.49 C ATOM 1251 C ARG A 134 -7.935 -6.374 1.595 1.00 0.40 C ATOM 1252 O ARG A 134 -7.103 -5.550 1.915 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.574 -5.215 -0.575 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.923 -5.946 -1.883 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.348 -5.179 -3.079 1.00 1.37 C ATOM 1256 NE ARG A 134 -9.248 -4.043 -3.422 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.816 -3.081 -4.192 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -7.592 -3.109 -4.644 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.607 -2.094 -4.509 1.00 3.36 N ATOM 0 HA ARG A 134 -9.557 -6.934 0.295 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.015 -4.218 -0.580 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.494 -5.085 -0.501 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -8.521 -6.959 -1.862 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -10.005 -6.035 -1.983 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.351 -4.808 -2.841 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -8.244 -5.845 -3.935 1.00 1.37 H new ATOM 0 HE ARG A 134 -10.200 -4.017 -3.056 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -6.974 -3.882 -4.396 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -7.253 -2.358 -5.246 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -10.564 -2.073 -4.155 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.269 -1.343 -5.111 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.879 -7.602 2.038 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.779 -8.017 2.957 1.00 0.39 C ATOM 1275 C TYR A 135 -5.541 -8.382 2.124 1.00 0.36 C ATOM 1276 O TYR A 135 -5.668 -8.820 0.999 1.00 0.39 O ATOM 1277 CB TYR A 135 -7.230 -9.241 3.758 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.237 -8.819 4.803 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.544 -8.492 4.421 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -7.865 -8.755 6.151 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.479 -8.102 5.388 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -8.800 -8.365 7.117 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.106 -8.039 6.736 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.028 -7.656 7.688 1.00 1.17 O ATOM 0 H TYR A 135 -8.548 -8.336 1.803 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.536 -7.202 3.639 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.671 -9.982 3.092 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.371 -9.713 4.235 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.831 -8.541 3.381 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -6.857 -9.006 6.446 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.487 -7.850 5.094 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -8.513 -8.316 8.157 1.00 0.85 H new ATOM 0 HH TYR A 135 -10.608 -7.666 8.573 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.353 -8.213 2.664 1.00 0.37 N ATOM 1295 CA PRO A 136 -3.088 -8.543 1.936 1.00 0.38 C ATOM 1296 C PRO A 136 -2.836 -10.054 1.875 1.00 0.37 C ATOM 1297 O PRO A 136 -2.706 -10.712 2.887 1.00 0.38 O ATOM 1298 CB PRO A 136 -2.008 -7.845 2.772 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.555 -7.851 4.162 1.00 0.51 C ATOM 1300 CD PRO A 136 -4.072 -7.693 4.019 1.00 0.44 C ATOM 0 HA PRO A 136 -3.112 -8.218 0.896 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -1.057 -8.375 2.716 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.827 -6.829 2.420 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -2.306 -8.780 4.675 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -2.132 -7.038 4.751 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.607 -8.257 4.783 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -4.377 -6.651 4.119 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.769 -10.608 0.695 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.529 -12.075 0.575 1.00 0.43 C ATOM 1310 C LEU A 137 -1.132 -12.418 1.107 1.00 0.41 C ATOM 1311 O LEU A 137 -0.963 -13.331 1.890 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.635 -12.500 -0.899 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.110 -12.695 -1.296 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.236 -12.634 -2.821 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.628 -14.061 -0.811 1.00 0.92 C ATOM 0 H LEU A 137 -2.870 -10.110 -0.189 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.279 -12.608 1.160 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -2.177 -11.743 -1.536 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.083 -13.427 -1.058 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.701 -11.905 -0.833 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.279 -12.772 -3.106 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.888 -11.664 -3.176 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.631 -13.423 -3.268 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.672 -14.178 -1.102 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.034 -14.856 -1.262 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.545 -14.117 0.274 1.00 0.92 H new ATOM 1327 N THR A 138 -0.127 -11.705 0.675 1.00 0.50 N ATOM 1328 CA THR A 138 1.256 -12.006 1.144 1.00 0.55 C ATOM 1329 C THR A 138 1.351 -11.785 2.655 1.00 0.47 C ATOM 1330 O THR A 138 0.612 -11.014 3.233 1.00 0.50 O ATOM 1331 CB THR A 138 2.255 -11.093 0.416 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.662 -9.818 0.214 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.623 -11.703 -0.939 1.00 1.04 C ATOM 0 H THR A 138 -0.204 -10.928 0.018 1.00 0.50 H new ATOM 0 HA THR A 138 1.494 -13.047 0.923 1.00 0.55 H new ATOM 0 HB THR A 138 3.157 -10.989 1.020 1.00 0.73 H new ATOM 0 HG1 THR A 138 1.892 -9.488 -0.680 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.331 -11.052 -1.451 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.076 -12.683 -0.786 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.724 -11.810 -1.546 1.00 1.04 H new ATOM 1341 N PHE A 139 2.262 -12.471 3.295 1.00 0.51 N ATOM 1342 CA PHE A 139 2.425 -12.327 4.773 1.00 0.49 C ATOM 1343 C PHE A 139 3.519 -11.300 5.080 1.00 0.65 C ATOM 1344 O PHE A 139 4.411 -11.070 4.288 1.00 1.43 O ATOM 1345 CB PHE A 139 2.822 -13.681 5.366 1.00 0.52 C ATOM 1346 CG PHE A 139 2.937 -13.564 6.869 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.794 -13.311 7.639 1.00 0.67 C ATOM 1348 CD2 PHE A 139 4.183 -13.712 7.495 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.897 -13.205 9.031 1.00 0.77 C ATOM 1350 CE2 PHE A 139 4.284 -13.605 8.887 1.00 0.62 C ATOM 1351 CZ PHE A 139 3.143 -13.352 9.655 1.00 0.66 C ATOM 0 H PHE A 139 2.905 -13.129 2.854 1.00 0.51 H new ATOM 0 HA PHE A 139 1.485 -11.989 5.209 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.079 -14.435 5.106 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.771 -14.010 4.943 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.833 -13.198 7.158 1.00 0.67 H new ATOM 0 HD2 PHE A 139 5.065 -13.909 6.903 1.00 0.59 H new ATOM 0 HE1 PHE A 139 1.016 -13.010 9.624 1.00 0.77 H new ATOM 0 HE2 PHE A 139 5.244 -13.718 9.368 1.00 0.62 H new ATOM 0 HZ PHE A 139 3.222 -13.270 10.729 1.00 0.66 H new ATOM 1361 N GLY A 140 3.456 -10.684 6.231 1.00 0.46 N ATOM 1362 CA GLY A 140 4.486 -9.670 6.612 1.00 0.43 C ATOM 1363 C GLY A 140 3.971 -8.271 6.268 1.00 0.35 C ATOM 1364 O GLY A 140 4.186 -7.321 6.995 1.00 0.32 O ATOM 0 H GLY A 140 2.730 -10.841 6.930 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.703 -9.738 7.678 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.419 -9.866 6.084 1.00 0.43 H new ATOM 1368 N TRP A 141 3.276 -8.145 5.175 1.00 0.34 N ATOM 1369 CA TRP A 141 2.726 -6.815 4.781 1.00 0.29 C ATOM 1370 C TRP A 141 1.541 -6.524 5.701 1.00 0.32 C ATOM 1371 O TRP A 141 0.463 -7.061 5.549 1.00 0.40 O ATOM 1372 CB TRP A 141 2.307 -6.887 3.311 1.00 0.33 C ATOM 1373 CG TRP A 141 2.140 -5.524 2.698 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.076 -5.180 1.941 1.00 0.35 C ATOM 1375 CD2 TRP A 141 3.018 -4.340 2.729 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.229 -3.884 1.510 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.397 -3.316 1.970 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.266 -4.039 3.329 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.979 -2.055 1.808 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.850 -2.768 3.164 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.206 -1.781 2.407 1.00 0.33 C ATOM 0 H TRP A 141 3.063 -8.908 4.533 1.00 0.34 H new ATOM 0 HA TRP A 141 3.456 -6.012 4.882 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.055 -7.446 2.749 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.370 -7.437 3.229 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.238 -5.821 1.711 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.555 -3.398 0.918 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.773 -4.790 3.917 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.480 -1.298 1.222 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.803 -2.553 3.625 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.661 -0.809 2.288 1.00 0.33 H new ATOM 1392 N CYS A 142 1.781 -5.733 6.711 1.00 0.31 N ATOM 1393 CA CYS A 142 0.738 -5.450 7.731 1.00 0.40 C ATOM 1394 C CYS A 142 -0.216 -4.301 7.363 1.00 0.39 C ATOM 1395 O CYS A 142 -0.658 -3.591 8.244 1.00 0.48 O ATOM 1396 CB CYS A 142 1.461 -5.099 9.023 1.00 0.47 C ATOM 1397 SG CYS A 142 2.946 -6.122 9.178 1.00 1.45 S ATOM 0 H CYS A 142 2.672 -5.264 6.873 1.00 0.31 H new ATOM 0 HA CYS A 142 0.111 -6.337 7.817 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.732 -4.043 9.026 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.803 -5.262 9.877 1.00 0.47 H new ATOM 0 HG CYS A 142 3.121 -6.802 8.084 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.569 -4.109 6.115 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.532 -2.995 5.778 1.00 0.40 C ATOM 1405 C TYR A 143 -2.722 -3.613 5.030 1.00 0.43 C ATOM 1406 O TYR A 143 -2.560 -4.457 4.171 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.812 -1.898 4.934 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.518 -1.611 3.618 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -2.846 -1.166 3.617 1.00 2.17 C ATOM 1410 CD2 TYR A 143 -0.840 -1.763 2.408 1.00 2.16 C ATOM 1411 CE1 TYR A 143 -3.490 -0.884 2.410 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -1.482 -1.483 1.198 1.00 3.14 C ATOM 1413 CZ TYR A 143 -2.807 -1.045 1.197 1.00 3.52 C ATOM 1414 OH TYR A 143 -3.438 -0.763 0.003 1.00 4.57 O ATOM 0 H TYR A 143 -0.243 -4.661 5.322 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.895 -2.505 6.681 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.751 -0.979 5.517 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.211 -2.215 4.731 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -3.373 -1.041 4.551 1.00 2.17 H new ATOM 0 HD2 TYR A 143 0.186 -2.099 2.406 1.00 2.16 H new ATOM 0 HE1 TYR A 143 -4.514 -0.542 2.412 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -0.953 -1.606 0.265 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.110 0.092 -0.347 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.919 -3.191 5.362 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.146 -3.733 4.694 1.00 0.51 C ATOM 1426 C LYS A 144 -6.007 -2.560 4.205 1.00 0.43 C ATOM 1427 O LYS A 144 -6.189 -1.583 4.904 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.949 -4.583 5.708 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.003 -5.203 6.759 1.00 1.21 C ATOM 1430 CD LYS A 144 -4.782 -4.219 7.930 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.877 -4.410 8.987 1.00 1.57 C ATOM 1432 NZ LYS A 144 -5.886 -3.239 9.909 1.00 2.32 N ATOM 0 H LYS A 144 -4.100 -2.486 6.076 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.863 -4.358 3.847 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.695 -3.961 6.203 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.488 -5.372 5.184 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -5.426 -6.135 7.134 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -4.047 -5.449 6.297 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -3.801 -4.385 8.376 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -4.795 -3.193 7.562 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.849 -4.514 8.505 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -5.700 -5.327 9.548 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.684 -3.559 10.878 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -5.159 -2.557 9.611 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -6.820 -2.783 9.882 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.542 -2.644 3.015 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.387 -1.525 2.506 1.00 0.37 C ATOM 1448 C LEU A 145 -8.737 -1.549 3.232 1.00 0.38 C ATOM 1449 O LEU A 145 -9.320 -2.597 3.439 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.619 -1.683 0.993 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.396 -1.181 0.204 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.509 -1.670 -1.246 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.302 0.376 0.237 1.00 0.52 C ATOM 0 H LEU A 145 -6.431 -3.433 2.378 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.880 -0.578 2.690 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.807 -2.730 0.756 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.506 -1.124 0.695 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.491 -1.577 0.665 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.648 -1.321 -1.816 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.537 -2.760 -1.261 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -7.423 -1.278 -1.692 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.428 0.700 -0.329 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -7.201 0.804 -0.207 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.211 0.713 1.270 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.237 -0.402 3.610 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.550 -0.343 4.325 1.00 0.50 C ATOM 1467 C VAL A 146 -11.111 1.092 4.205 1.00 0.59 C ATOM 1468 O VAL A 146 -10.426 2.041 4.531 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.326 -0.656 5.820 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.605 -0.369 6.619 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.948 -2.131 6.004 1.00 0.56 C ATOM 0 H VAL A 146 -8.791 0.502 3.454 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.243 -1.064 3.891 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.516 -0.023 6.183 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.434 -0.594 7.672 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -11.873 0.682 6.511 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.417 -0.991 6.242 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.793 -2.338 7.063 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.751 -2.763 5.625 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -9.030 -2.343 5.455 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.343 1.268 3.762 1.00 0.68 N ATOM 1482 CA PRO A 147 -12.953 2.626 3.643 1.00 0.81 C ATOM 1483 C PRO A 147 -13.467 3.146 4.995 1.00 0.91 C ATOM 1484 O PRO A 147 -13.961 2.393 5.811 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.113 2.402 2.669 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.554 0.999 2.933 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.287 0.219 3.314 1.00 0.75 C ATOM 0 HA PRO A 147 -12.238 3.376 3.305 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -14.921 3.112 2.844 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -13.794 2.530 1.635 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.289 0.966 3.738 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.027 0.567 2.051 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.486 -0.504 4.105 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.891 -0.339 2.465 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.649 3.864 -0.975 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.064 2.994 0.106 1.00 0.52 C ATOM 1782 C LEU A 181 -8.808 3.649 0.671 1.00 0.47 C ATOM 1783 O LEU A 181 -8.060 4.257 -0.050 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.683 1.638 -0.487 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.910 0.974 -1.139 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.446 -0.065 -2.165 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.759 0.275 -0.069 1.00 0.87 C ATOM 0 HA LEU A 181 -10.801 2.865 0.898 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.894 1.767 -1.228 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.284 0.991 0.294 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.507 1.741 -1.632 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.315 -0.534 -2.626 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.848 0.424 -2.933 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.845 -0.825 -1.666 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.625 -0.192 -0.539 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.161 -0.488 0.429 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.096 1.008 0.664 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.572 3.539 1.958 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.351 4.170 2.568 1.00 0.45 C ATOM 1801 C GLU A 182 -6.387 3.119 3.119 1.00 0.42 C ATOM 1802 O GLU A 182 -6.770 2.025 3.488 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.776 5.098 3.709 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.716 4.350 4.658 1.00 0.56 C ATOM 1805 CD GLU A 182 -8.816 5.110 5.982 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -8.744 6.328 5.951 1.00 1.62 O ATOM 1807 OE2 GLU A 182 -8.962 4.461 7.004 1.00 1.49 O ATOM 0 H GLU A 182 -9.171 3.039 2.615 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.838 4.730 1.786 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -6.898 5.448 4.252 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.275 5.980 3.307 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.703 4.253 4.207 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.345 3.340 4.833 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.127 3.478 3.190 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.092 2.552 3.731 1.00 0.38 C ATOM 1816 C TRP A 183 -4.260 2.446 5.247 1.00 0.37 C ATOM 1817 O TRP A 183 -3.888 3.344 5.978 1.00 0.43 O ATOM 1818 CB TRP A 183 -2.681 3.112 3.425 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.151 2.588 2.127 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -1.457 1.441 1.997 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.213 3.180 0.799 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -1.104 1.274 0.671 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -1.546 2.323 -0.108 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.782 4.360 0.298 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.444 2.631 -1.465 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.681 4.676 -1.067 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.012 3.812 -1.946 1.00 0.41 C ATOM 0 H TRP A 183 -4.771 4.386 2.891 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.207 1.572 3.269 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.721 4.201 3.390 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -1.999 2.844 4.232 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -1.215 0.761 2.800 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -0.582 0.474 0.313 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.302 5.031 0.966 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -0.930 1.961 -2.138 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -3.121 5.589 -1.441 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.936 4.060 -2.994 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.788 1.353 5.732 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.943 1.195 7.208 1.00 0.35 C ATOM 1840 C ARG A 184 -3.726 0.422 7.719 1.00 0.31 C ATOM 1841 O ARG A 184 -3.717 -0.792 7.776 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.244 0.425 7.505 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.804 0.838 8.873 1.00 0.98 C ATOM 1844 CD ARG A 184 -5.740 0.628 9.952 1.00 1.51 C ATOM 1845 NE ARG A 184 -6.385 0.675 11.293 1.00 1.57 N ATOM 1846 CZ ARG A 184 -5.740 0.246 12.342 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -4.528 -0.220 12.216 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -6.305 0.285 13.517 1.00 2.61 N ATOM 0 H ARG A 184 -5.117 0.566 5.173 1.00 0.35 H new ATOM 0 HA ARG A 184 -5.002 2.163 7.705 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -6.980 0.626 6.727 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.051 -0.648 7.492 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -7.111 1.884 8.850 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -7.692 0.250 9.105 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -5.243 -0.332 9.808 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -4.973 1.398 9.877 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.331 1.043 11.391 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -4.086 -0.249 11.297 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -4.023 -0.556 13.036 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -7.252 0.651 13.616 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -5.800 -0.051 14.337 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.689 1.128 8.062 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.438 0.467 8.542 1.00 0.31 C ATOM 1864 C PHE A 185 -1.660 -0.181 9.917 1.00 0.31 C ATOM 1865 O PHE A 185 -2.252 0.403 10.803 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.346 1.536 8.627 1.00 0.40 C ATOM 1867 CG PHE A 185 0.906 0.975 9.256 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.995 0.849 10.647 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.988 0.601 8.450 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.165 0.349 11.230 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.157 0.106 9.033 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.247 -0.021 10.421 1.00 0.71 C ATOM 0 H PHE A 185 -2.650 2.147 8.031 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.143 -0.323 7.851 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.120 1.911 7.629 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.704 2.383 9.212 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.161 1.137 11.270 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.919 0.695 7.376 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.234 0.248 12.303 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.992 -0.179 8.410 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.151 -0.405 10.871 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.195 -1.397 10.093 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.381 -2.100 11.395 1.00 0.32 C ATOM 1884 C ASP A 186 -0.271 -3.146 11.590 1.00 0.30 C ATOM 1885 O ASP A 186 -0.499 -4.328 11.446 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.734 -2.802 11.361 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.157 -3.199 12.779 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.593 -2.665 13.719 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.039 -4.033 12.899 1.00 1.16 O ATOM 0 H ASP A 186 -0.693 -1.931 9.384 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.337 -1.385 12.216 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.483 -2.144 10.921 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.677 -3.688 10.729 1.00 0.37 H new ATOM 1894 N SER A 187 0.924 -2.711 11.915 1.00 0.33 N ATOM 1895 CA SER A 187 2.070 -3.662 12.119 1.00 0.34 C ATOM 1896 C SER A 187 1.659 -4.856 12.991 1.00 0.35 C ATOM 1897 O SER A 187 2.419 -5.789 13.161 1.00 0.37 O ATOM 1898 CB SER A 187 3.215 -2.920 12.812 1.00 0.40 C ATOM 1899 OG SER A 187 2.689 -2.138 13.878 1.00 1.32 O ATOM 0 H SER A 187 1.159 -1.728 12.050 1.00 0.33 H new ATOM 0 HA SER A 187 2.381 -4.036 11.143 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.947 -3.632 13.194 1.00 0.40 H new ATOM 0 HB3 SER A 187 3.735 -2.281 12.098 1.00 0.40 H new ATOM 0 HG SER A 187 3.419 -1.662 14.326 1.00 1.32 H new ATOM 1905 N ARG A 188 0.485 -4.843 13.553 1.00 0.40 N ATOM 1906 CA ARG A 188 0.075 -5.989 14.412 1.00 0.46 C ATOM 1907 C ARG A 188 0.027 -7.268 13.570 1.00 0.42 C ATOM 1908 O ARG A 188 0.406 -8.333 14.019 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.310 -5.711 15.005 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.568 -6.663 16.175 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.996 -6.469 16.691 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.966 -6.801 15.612 1.00 2.37 N ATOM 1913 CZ ARG A 188 -5.220 -7.011 15.903 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.623 -6.932 17.144 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -6.071 -7.299 14.958 1.00 3.87 N ATOM 0 H ARG A 188 -0.204 -4.097 13.457 1.00 0.40 H new ATOM 0 HA ARG A 188 0.796 -6.116 15.219 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.371 -4.677 15.344 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -2.077 -5.841 14.241 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.423 -7.695 15.856 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.853 -6.474 16.975 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.170 -7.106 17.559 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.139 -5.439 17.018 1.00 1.75 H new ATOM 0 HE ARG A 188 -3.650 -6.864 14.644 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.957 -6.706 17.883 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -6.603 -7.096 17.373 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -5.756 -7.360 13.990 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -7.051 -7.463 15.187 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.431 -7.173 12.353 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.500 -8.380 11.481 1.00 0.46 C ATOM 1931 C LEU A 189 0.919 -8.895 11.212 1.00 0.41 C ATOM 1932 O LEU A 189 1.110 -9.864 10.504 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.200 -8.019 10.150 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.713 -8.311 10.243 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.467 -7.466 9.213 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -2.982 -9.794 9.953 1.00 1.78 C ATOM 0 H LEU A 189 -0.762 -6.309 11.923 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.074 -9.161 11.979 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -1.040 -6.965 9.921 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.762 -8.593 9.334 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.054 -8.065 11.249 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.535 -7.675 9.282 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.291 -6.409 9.411 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -3.113 -7.712 8.212 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.052 -9.990 10.021 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.632 -10.038 8.950 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.454 -10.409 10.682 1.00 1.78 H new ATOM 1948 N ALA A 190 1.915 -8.267 11.775 1.00 0.37 N ATOM 1949 CA ALA A 190 3.305 -8.747 11.544 1.00 0.42 C ATOM 1950 C ALA A 190 3.495 -10.046 12.319 1.00 0.44 C ATOM 1951 O ALA A 190 4.556 -10.640 12.320 1.00 0.53 O ATOM 1952 CB ALA A 190 4.306 -7.701 12.040 1.00 0.47 C ATOM 0 H ALA A 190 1.827 -7.450 12.379 1.00 0.37 H new ATOM 0 HA ALA A 190 3.472 -8.913 10.480 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.321 -8.059 11.868 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.154 -6.767 11.499 1.00 0.47 H new ATOM 0 HB3 ALA A 190 4.157 -7.532 13.106 1.00 0.47 H new ATOM 1958 N PHE A 191 2.454 -10.492 12.973 1.00 0.42 N ATOM 1959 CA PHE A 191 2.524 -11.764 13.757 1.00 0.51 C ATOM 1960 C PHE A 191 1.267 -12.585 13.468 1.00 0.56 C ATOM 1961 O PHE A 191 1.338 -13.726 13.055 1.00 0.96 O ATOM 1962 CB PHE A 191 2.603 -11.437 15.249 1.00 0.58 C ATOM 1963 CG PHE A 191 3.633 -10.352 15.464 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.994 -10.635 15.291 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.230 -9.061 15.833 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.949 -9.630 15.484 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.185 -8.057 16.025 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.545 -8.341 15.851 1.00 3.15 C ATOM 0 H PHE A 191 1.548 -10.025 12.998 1.00 0.42 H new ATOM 0 HA PHE A 191 3.408 -12.334 13.473 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.630 -11.109 15.614 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.872 -12.328 15.816 1.00 0.58 H new ATOM 0 HD1 PHE A 191 5.307 -11.629 15.008 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.181 -8.841 15.969 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.998 -9.849 15.350 1.00 2.75 H new ATOM 0 HE2 PHE A 191 3.873 -7.062 16.308 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.282 -7.566 16.000 1.00 3.15 H new ATOM 1978 N HIS A 192 0.113 -12.006 13.666 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.150 -12.746 13.385 1.00 0.72 C ATOM 1980 C HIS A 192 -1.343 -12.834 11.869 1.00 0.67 C ATOM 1981 O HIS A 192 -0.628 -12.212 11.109 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.330 -11.995 14.008 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.590 -12.797 13.827 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.857 -13.933 14.574 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.668 -12.635 12.991 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.053 -14.408 14.177 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.591 -13.653 13.213 1.00 3.35 N ATOM 0 H HIS A 192 -0.009 -11.053 14.010 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.097 -13.748 13.811 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.146 -11.823 15.068 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.439 -11.016 13.540 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -4.782 -11.838 12.271 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.521 -15.291 14.587 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.485 -13.793 12.742 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.306 -13.594 11.420 1.00 0.77 N ATOM 1996 CA HIS A 193 -2.544 -13.714 9.949 1.00 0.85 C ATOM 1997 C HIS A 193 -4.040 -13.917 9.698 1.00 0.74 C ATOM 1998 O HIS A 193 -4.534 -15.027 9.688 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.754 -14.912 9.399 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.576 -14.767 7.911 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -0.670 -15.536 7.196 1.00 2.84 N ATOM 2002 CD2 HIS A 193 -2.176 -13.943 6.991 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -0.749 -15.162 5.906 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -1.652 -14.193 5.726 1.00 3.87 N ATOM 0 H HIS A 193 -2.939 -14.137 12.007 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.212 -12.806 9.445 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -0.781 -14.972 9.887 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.280 -15.840 9.623 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -0.055 -16.255 7.579 1.00 2.84 H new ATOM 0 HD2 HIS A 193 -2.939 -13.212 7.215 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -0.155 -15.592 5.113 1.00 3.75 H new ATOM 2012 N MET A 194 -4.764 -12.850 9.503 1.00 0.73 N ATOM 2013 CA MET A 194 -6.229 -12.971 9.262 1.00 0.79 C ATOM 2014 C MET A 194 -6.479 -13.489 7.841 1.00 0.75 C ATOM 2015 O MET A 194 -7.296 -14.361 7.624 1.00 0.90 O ATOM 2016 CB MET A 194 -6.881 -11.590 9.440 1.00 0.91 C ATOM 2017 CG MET A 194 -8.365 -11.753 9.781 1.00 1.47 C ATOM 2018 SD MET A 194 -8.525 -12.358 11.483 1.00 2.35 S ATOM 2019 CE MET A 194 -9.879 -11.274 12.007 1.00 2.94 C ATOM 0 H MET A 194 -4.403 -11.896 9.500 1.00 0.73 H new ATOM 0 HA MET A 194 -6.663 -13.674 9.973 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.375 -11.039 10.233 1.00 0.91 H new ATOM 0 HB3 MET A 194 -6.771 -11.006 8.526 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.882 -10.800 9.671 1.00 1.47 H new ATOM 0 HG3 MET A 194 -8.835 -12.452 9.089 1.00 1.47 H new ATOM 0 HE1 MET A 194 -10.136 -11.488 13.045 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.567 -10.233 11.917 1.00 2.94 H new ATOM 0 HE3 MET A 194 -10.750 -11.448 11.375 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.784 -12.956 6.872 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.985 -13.415 5.468 1.00 0.76 C ATOM 2031 C ALA A 195 -5.837 -14.937 5.395 1.00 0.90 C ATOM 2032 O ALA A 195 -6.445 -15.590 4.571 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.940 -12.759 4.565 1.00 0.82 C ATOM 0 H ALA A 195 -5.086 -12.222 6.993 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.985 -13.134 5.136 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -5.085 -13.093 3.538 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -5.047 -11.675 4.612 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.942 -13.040 4.900 1.00 0.82 H new