USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=19 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 89 HIS : no HE2:sc= -1.58 K(o=-1.7,f=-6.9!) USER MOD Set 1.2: A 187 SER OG : rot -178:sc= -0.0914 USER MOD Set 2.1: A 102 HIS : no HD1:sc= 0.748 K(o=1.2,f=-7.5!) USER MOD Set 2.2: A 107 GLN : amide:sc= 0.41 K(o=1.2,f=0.35) USER MOD Single : A 79 MET CE :methyl 165:sc= 0 (180deg=-0.0515) USER MOD Single : A 80 THR OG1 : rot -170:sc= -1.23! 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 88 SER OG : rot -91:sc= 0.736 USER MOD Single : A 92 LYS NZ :NH3+ -170:sc= 0 (180deg=-0.0533) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 SER OG : rot 120:sc= -0.527! USER MOD Single : A 104 GLN : amide:sc= -0.0622 X(o=-0.062,f=-0.2) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HD1:sc=-0.00614 X(o=-0.0061,f=0) USER MOD Single : A 117 THR OG1 : rot -95:sc= 0.489 USER MOD Single : A 118 GLN :FLIP amide:sc= -0.0237 F(o=-2!,f=-0.024) USER MOD Single : A 120 TYR OH : rot 180:sc=-0.000111 USER MOD Single : A 125 GLN : amide:sc= -2.04 K(o=-2,f=-2.9!) USER MOD Single : A 126 ASN : amide:sc= -3.46! C(o=-3.5!,f=-4.3!) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.091 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 180:sc= -0.758! USER MOD Single : A 142 CYS SG : rot 46:sc= -0.296 USER MOD Single : A 143 TYR OH : rot 180:sc= 0 USER MOD Single : A 144 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 192 HIS : no HD1:sc= -2.46 K(o=-2.5,f=-3.5!) USER MOD Single : A 193 HIS : no HE2:sc= -0.152 K(o=-0.15,f=-5.9!) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 18.908 -0.358 -8.727 1.00 1.04 N ATOM 275 CA VAL A 74 20.074 -0.983 -8.036 1.00 0.93 C ATOM 276 C VAL A 74 19.919 -2.506 -8.137 1.00 0.86 C ATOM 277 O VAL A 74 18.820 -3.000 -8.287 1.00 0.89 O ATOM 278 CB VAL A 74 20.073 -0.551 -6.562 1.00 1.09 C ATOM 279 CG1 VAL A 74 20.688 0.845 -6.429 1.00 1.17 C ATOM 280 CG2 VAL A 74 18.630 -0.514 -6.054 1.00 1.38 C ATOM 0 HA VAL A 74 21.013 -0.672 -8.494 1.00 0.93 H new ATOM 0 HB VAL A 74 20.658 -1.260 -5.976 1.00 1.09 H new ATOM 0 HG11 VAL A 74 20.684 1.146 -5.381 1.00 1.17 H new ATOM 0 HG12 VAL A 74 21.713 0.827 -6.798 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.104 1.557 -7.013 1.00 1.17 H new ATOM 0 HG21 VAL A 74 18.620 -0.208 -5.008 1.00 1.38 H new ATOM 0 HG22 VAL A 74 18.054 0.198 -6.646 1.00 1.38 H new ATOM 0 HG23 VAL A 74 18.186 -1.505 -6.146 1.00 1.38 H new ATOM 290 N PRO A 75 21.000 -3.248 -8.068 1.00 0.93 N ATOM 291 CA PRO A 75 20.957 -4.733 -8.163 1.00 1.00 C ATOM 292 C PRO A 75 19.689 -5.321 -7.533 1.00 0.88 C ATOM 293 O PRO A 75 19.352 -5.032 -6.402 1.00 0.84 O ATOM 294 CB PRO A 75 22.207 -5.154 -7.399 1.00 1.18 C ATOM 295 CG PRO A 75 23.200 -4.064 -7.680 1.00 1.37 C ATOM 296 CD PRO A 75 22.387 -2.771 -7.896 1.00 1.13 C ATOM 0 HA PRO A 75 20.934 -5.089 -9.193 1.00 1.00 H new ATOM 0 HB2 PRO A 75 22.008 -5.245 -6.331 1.00 1.18 H new ATOM 0 HB3 PRO A 75 22.573 -6.123 -7.739 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.895 -3.950 -6.848 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.794 -4.300 -8.563 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.475 -2.097 -7.044 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.733 -2.223 -8.773 1.00 1.13 H new ATOM 304 N LEU A 76 18.980 -6.133 -8.267 1.00 0.86 N ATOM 305 CA LEU A 76 17.727 -6.729 -7.725 1.00 0.77 C ATOM 306 C LEU A 76 18.050 -7.595 -6.507 1.00 0.77 C ATOM 307 O LEU A 76 18.456 -8.734 -6.629 1.00 0.85 O ATOM 308 CB LEU A 76 17.054 -7.592 -8.801 1.00 0.84 C ATOM 309 CG LEU A 76 16.650 -6.727 -10.006 1.00 0.87 C ATOM 310 CD1 LEU A 76 16.201 -7.644 -11.150 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.493 -5.782 -9.628 1.00 0.76 C ATOM 0 H LEU A 76 19.215 -6.410 -9.220 1.00 0.86 H new ATOM 0 HA LEU A 76 17.051 -5.927 -7.430 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.735 -8.380 -9.123 1.00 0.84 H new ATOM 0 HB3 LEU A 76 16.173 -8.082 -8.385 1.00 0.84 H new ATOM 0 HG LEU A 76 17.506 -6.127 -10.316 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.912 -7.039 -12.009 1.00 1.01 H new ATOM 0 HD12 LEU A 76 17.022 -8.304 -11.430 1.00 1.01 H new ATOM 0 HD13 LEU A 76 15.349 -8.241 -10.825 1.00 1.01 H new ATOM 0 HD21 LEU A 76 15.220 -5.177 -10.493 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.632 -6.370 -9.310 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.808 -5.129 -8.814 1.00 0.76 H new ATOM 323 N ARG A 77 17.864 -7.066 -5.329 1.00 0.74 N ATOM 324 CA ARG A 77 18.149 -7.855 -4.098 1.00 0.79 C ATOM 325 C ARG A 77 16.973 -8.810 -3.842 1.00 0.71 C ATOM 326 O ARG A 77 15.869 -8.568 -4.289 1.00 0.73 O ATOM 327 CB ARG A 77 18.311 -6.883 -2.911 1.00 0.85 C ATOM 328 CG ARG A 77 19.777 -6.446 -2.783 1.00 1.19 C ATOM 329 CD ARG A 77 19.933 -5.495 -1.590 1.00 1.52 C ATOM 330 NE ARG A 77 19.507 -4.124 -1.984 1.00 2.13 N ATOM 331 CZ ARG A 77 19.242 -3.235 -1.067 1.00 2.66 C ATOM 332 NH1 ARG A 77 19.338 -3.551 0.197 1.00 2.73 N ATOM 333 NH2 ARG A 77 18.878 -2.031 -1.411 1.00 3.61 N ATOM 0 H ARG A 77 17.526 -6.118 -5.166 1.00 0.74 H new ATOM 0 HA ARG A 77 19.065 -8.434 -4.216 1.00 0.79 H new ATOM 0 HB2 ARG A 77 17.675 -6.010 -3.056 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.985 -7.365 -1.989 1.00 0.85 H new ATOM 0 HG2 ARG A 77 20.416 -7.319 -2.650 1.00 1.19 H new ATOM 0 HG3 ARG A 77 20.100 -5.951 -3.699 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.332 -5.846 -0.751 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.970 -5.482 -1.256 1.00 1.52 H new ATOM 0 HE ARG A 77 19.422 -3.880 -2.971 1.00 2.13 H new ATOM 0 HH11 ARG A 77 19.620 -4.493 0.467 1.00 2.73 H new ATOM 0 HH12 ARG A 77 19.131 -2.855 0.914 1.00 2.73 H new ATOM 0 HH21 ARG A 77 18.800 -1.784 -2.398 1.00 3.61 H new ATOM 0 HH22 ARG A 77 18.671 -1.336 -0.693 1.00 3.61 H new ATOM 347 N PRO A 78 17.200 -9.886 -3.127 1.00 0.79 N ATOM 348 CA PRO A 78 16.127 -10.878 -2.811 1.00 0.76 C ATOM 349 C PRO A 78 15.112 -10.317 -1.803 1.00 0.67 C ATOM 350 O PRO A 78 15.436 -10.051 -0.663 1.00 0.69 O ATOM 351 CB PRO A 78 16.897 -12.069 -2.221 1.00 0.86 C ATOM 352 CG PRO A 78 18.145 -11.473 -1.650 1.00 1.18 C ATOM 353 CD PRO A 78 18.497 -10.284 -2.547 1.00 1.06 C ATOM 0 HA PRO A 78 15.537 -11.146 -3.687 1.00 0.76 H new ATOM 0 HB2 PRO A 78 16.313 -12.576 -1.453 1.00 0.86 H new ATOM 0 HB3 PRO A 78 17.127 -12.810 -2.987 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.987 -11.151 -0.621 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.954 -12.203 -1.635 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.946 -9.471 -1.976 1.00 1.06 H new ATOM 0 HD3 PRO A 78 19.212 -10.564 -3.320 1.00 1.06 H new ATOM 361 N MET A 79 13.888 -10.132 -2.222 1.00 0.65 N ATOM 362 CA MET A 79 12.851 -9.582 -1.300 1.00 0.61 C ATOM 363 C MET A 79 12.551 -10.593 -0.189 1.00 0.51 C ATOM 364 O MET A 79 12.021 -11.660 -0.431 1.00 0.56 O ATOM 365 CB MET A 79 11.571 -9.299 -2.090 1.00 0.66 C ATOM 366 CG MET A 79 10.584 -8.525 -1.214 1.00 0.74 C ATOM 367 SD MET A 79 11.221 -6.857 -0.909 1.00 1.25 S ATOM 368 CE MET A 79 9.672 -6.117 -0.336 1.00 0.83 C ATOM 0 H MET A 79 13.561 -10.339 -3.166 1.00 0.65 H new ATOM 0 HA MET A 79 13.220 -8.659 -0.853 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.805 -8.724 -2.986 1.00 0.66 H new ATOM 0 HB3 MET A 79 11.122 -10.236 -2.420 1.00 0.66 H new ATOM 0 HG2 MET A 79 9.612 -8.470 -1.705 1.00 0.74 H new ATOM 0 HG3 MET A 79 10.435 -9.047 -0.269 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.883 -5.168 0.157 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.014 -5.945 -1.188 1.00 0.83 H new ATOM 0 HE3 MET A 79 9.185 -6.791 0.369 1.00 0.83 H new ATOM 378 N THR A 80 12.887 -10.264 1.032 1.00 0.56 N ATOM 379 CA THR A 80 12.625 -11.201 2.167 1.00 0.60 C ATOM 380 C THR A 80 11.282 -10.894 2.809 1.00 0.56 C ATOM 381 O THR A 80 10.883 -9.754 2.919 1.00 0.50 O ATOM 382 CB THR A 80 13.731 -11.059 3.220 1.00 0.77 C ATOM 383 OG1 THR A 80 13.485 -9.910 4.018 1.00 0.94 O ATOM 384 CG2 THR A 80 15.086 -10.923 2.524 1.00 0.73 C ATOM 0 H THR A 80 13.333 -9.384 1.293 1.00 0.56 H new ATOM 0 HA THR A 80 12.611 -12.220 1.780 1.00 0.60 H new ATOM 0 HB THR A 80 13.740 -11.944 3.857 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.266 -9.730 4.582 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.871 -10.822 3.273 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.274 -11.809 1.918 1.00 0.73 H new ATOM 0 HG23 THR A 80 15.079 -10.041 1.884 1.00 0.73 H new ATOM 392 N TYR A 81 10.587 -11.903 3.275 1.00 0.61 N ATOM 393 CA TYR A 81 9.292 -11.639 3.959 1.00 0.60 C ATOM 394 C TYR A 81 9.624 -10.632 5.055 1.00 0.51 C ATOM 395 O TYR A 81 8.920 -9.670 5.290 1.00 0.45 O ATOM 396 CB TYR A 81 8.734 -12.970 4.536 1.00 0.69 C ATOM 397 CG TYR A 81 8.480 -12.876 6.032 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.340 -12.217 6.508 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.390 -13.441 6.934 1.00 0.71 C ATOM 400 CE1 TYR A 81 7.110 -12.125 7.888 1.00 0.66 C ATOM 401 CE2 TYR A 81 9.160 -13.348 8.313 1.00 0.77 C ATOM 402 CZ TYR A 81 8.020 -12.690 8.789 1.00 0.73 C ATOM 403 OH TYR A 81 7.794 -12.598 10.148 1.00 0.90 O ATOM 0 H TYR A 81 10.859 -12.884 3.211 1.00 0.61 H new ATOM 0 HA TYR A 81 8.523 -11.245 3.294 1.00 0.60 H new ATOM 0 HB2 TYR A 81 7.806 -13.226 4.025 1.00 0.69 H new ATOM 0 HB3 TYR A 81 9.440 -13.776 4.337 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.639 -11.780 5.813 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.270 -13.949 6.567 1.00 0.71 H new ATOM 0 HE1 TYR A 81 6.230 -11.618 8.256 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.862 -13.784 9.008 1.00 0.77 H new ATOM 0 HH TYR A 81 8.521 -13.043 10.631 1.00 0.90 H new ATOM 413 N LYS A 82 10.745 -10.847 5.685 1.00 0.52 N ATOM 414 CA LYS A 82 11.205 -9.911 6.727 1.00 0.48 C ATOM 415 C LYS A 82 11.354 -8.537 6.075 1.00 0.40 C ATOM 416 O LYS A 82 11.195 -7.516 6.715 1.00 0.38 O ATOM 417 CB LYS A 82 12.556 -10.387 7.279 1.00 0.55 C ATOM 418 CG LYS A 82 12.863 -9.684 8.607 1.00 0.60 C ATOM 419 CD LYS A 82 14.008 -10.415 9.320 1.00 0.92 C ATOM 420 CE LYS A 82 15.292 -10.338 8.481 1.00 1.49 C ATOM 421 NZ LYS A 82 16.474 -10.444 9.383 1.00 2.32 N ATOM 0 H LYS A 82 11.362 -11.641 5.515 1.00 0.52 H new ATOM 0 HA LYS A 82 10.495 -9.862 7.553 1.00 0.48 H new ATOM 0 HB2 LYS A 82 12.537 -11.467 7.427 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.346 -10.178 6.557 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.138 -8.645 8.426 1.00 0.60 H new ATOM 0 HG3 LYS A 82 11.975 -9.673 9.239 1.00 0.60 H new ATOM 0 HD2 LYS A 82 14.178 -9.970 10.300 1.00 0.92 H new ATOM 0 HD3 LYS A 82 13.736 -11.457 9.486 1.00 0.92 H new ATOM 0 HE2 LYS A 82 15.308 -11.142 7.745 1.00 1.49 H new ATOM 0 HE3 LYS A 82 15.324 -9.399 7.929 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 17.347 -10.392 8.819 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.458 -9.663 10.069 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.443 -11.351 9.891 1.00 2.32 H new ATOM 435 N ALA A 83 11.649 -8.495 4.791 1.00 0.42 N ATOM 436 CA ALA A 83 11.787 -7.165 4.124 1.00 0.41 C ATOM 437 C ALA A 83 10.435 -6.441 4.158 1.00 0.35 C ATOM 438 O ALA A 83 10.367 -5.237 4.312 1.00 0.34 O ATOM 439 CB ALA A 83 12.232 -7.348 2.668 1.00 0.52 C ATOM 0 H ALA A 83 11.796 -9.308 4.192 1.00 0.42 H new ATOM 0 HA ALA A 83 12.537 -6.575 4.652 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.329 -6.372 2.192 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.193 -7.861 2.643 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.490 -7.941 2.133 1.00 0.52 H new ATOM 445 N ALA A 84 9.359 -7.169 4.013 1.00 0.34 N ATOM 446 CA ALA A 84 8.007 -6.535 4.033 1.00 0.31 C ATOM 447 C ALA A 84 7.745 -5.902 5.401 1.00 0.28 C ATOM 448 O ALA A 84 7.366 -4.751 5.496 1.00 0.28 O ATOM 449 CB ALA A 84 6.946 -7.600 3.755 1.00 0.34 C ATOM 0 H ALA A 84 9.358 -8.180 3.881 1.00 0.34 H new ATOM 0 HA ALA A 84 7.963 -5.760 3.268 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.957 -7.141 3.769 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.126 -8.046 2.777 1.00 0.34 H new ATOM 0 HB3 ALA A 84 6.998 -8.374 4.521 1.00 0.34 H new ATOM 455 N VAL A 85 7.934 -6.641 6.462 1.00 0.29 N ATOM 456 CA VAL A 85 7.681 -6.066 7.814 1.00 0.29 C ATOM 457 C VAL A 85 8.639 -4.902 8.049 1.00 0.29 C ATOM 458 O VAL A 85 8.252 -3.857 8.534 1.00 0.30 O ATOM 459 CB VAL A 85 7.891 -7.145 8.886 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.169 -6.746 10.177 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.325 -8.473 8.385 1.00 0.38 C ATOM 0 H VAL A 85 8.250 -7.611 6.451 1.00 0.29 H new ATOM 0 HA VAL A 85 6.653 -5.708 7.874 1.00 0.29 H new ATOM 0 HB VAL A 85 8.958 -7.248 9.086 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.323 -7.516 10.933 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.568 -5.798 10.539 1.00 0.37 H new ATOM 0 HG13 VAL A 85 6.102 -6.639 9.979 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.473 -9.241 9.144 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.259 -8.362 8.184 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.838 -8.765 7.469 1.00 0.38 H new ATOM 471 N ASP A 86 9.883 -5.059 7.692 1.00 0.30 N ATOM 472 CA ASP A 86 10.843 -3.942 7.882 1.00 0.32 C ATOM 473 C ASP A 86 10.358 -2.764 7.043 1.00 0.30 C ATOM 474 O ASP A 86 10.270 -1.644 7.507 1.00 0.31 O ATOM 475 CB ASP A 86 12.235 -4.371 7.407 1.00 0.36 C ATOM 476 CG ASP A 86 12.854 -5.329 8.425 1.00 0.42 C ATOM 477 OD1 ASP A 86 12.722 -5.069 9.610 1.00 1.23 O ATOM 478 OD2 ASP A 86 13.449 -6.307 8.005 1.00 1.05 O ATOM 0 H ASP A 86 10.272 -5.907 7.280 1.00 0.30 H new ATOM 0 HA ASP A 86 10.902 -3.665 8.935 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.164 -4.856 6.433 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.873 -3.496 7.282 1.00 0.36 H new ATOM 483 N LEU A 87 10.028 -3.019 5.807 1.00 0.29 N ATOM 484 CA LEU A 87 9.529 -1.934 4.923 1.00 0.30 C ATOM 485 C LEU A 87 8.220 -1.374 5.489 1.00 0.29 C ATOM 486 O LEU A 87 8.004 -0.179 5.500 1.00 0.30 O ATOM 487 CB LEU A 87 9.286 -2.495 3.516 1.00 0.33 C ATOM 488 CG LEU A 87 9.063 -1.343 2.516 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.405 -0.751 2.066 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.314 -1.869 1.284 1.00 0.44 C ATOM 0 H LEU A 87 10.084 -3.939 5.371 1.00 0.29 H new ATOM 0 HA LEU A 87 10.269 -1.135 4.871 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.139 -3.097 3.204 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.417 -3.153 3.524 1.00 0.33 H new ATOM 0 HG LEU A 87 8.477 -0.567 3.009 1.00 0.42 H new ATOM 0 HD11 LEU A 87 10.226 0.061 1.361 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.942 -0.367 2.933 1.00 0.52 H new ATOM 0 HD13 LEU A 87 11.001 -1.526 1.584 1.00 0.52 H new ATOM 0 HD21 LEU A 87 8.157 -1.054 0.578 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.903 -2.653 0.808 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.350 -2.274 1.590 1.00 0.44 H new ATOM 502 N SER A 88 7.340 -2.224 5.956 1.00 0.30 N ATOM 503 CA SER A 88 6.054 -1.719 6.509 1.00 0.34 C ATOM 504 C SER A 88 6.334 -0.615 7.533 1.00 0.33 C ATOM 505 O SER A 88 5.747 0.447 7.487 1.00 0.36 O ATOM 506 CB SER A 88 5.302 -2.865 7.189 1.00 0.40 C ATOM 507 OG SER A 88 5.797 -3.030 8.512 1.00 0.44 O ATOM 0 H SER A 88 7.458 -3.237 5.977 1.00 0.30 H new ATOM 0 HA SER A 88 5.446 -1.317 5.698 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.233 -2.651 7.212 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.431 -3.787 6.622 1.00 0.40 H new ATOM 0 HG SER A 88 6.534 -3.676 8.507 1.00 0.44 H new ATOM 513 N HIS A 89 7.221 -0.860 8.458 1.00 0.34 N ATOM 514 CA HIS A 89 7.530 0.174 9.488 1.00 0.36 C ATOM 515 C HIS A 89 8.342 1.311 8.870 1.00 0.36 C ATOM 516 O HIS A 89 8.202 2.457 9.249 1.00 0.41 O ATOM 517 CB HIS A 89 8.331 -0.460 10.627 1.00 0.41 C ATOM 518 CG HIS A 89 7.433 -1.352 11.440 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.674 -2.709 11.585 1.00 1.43 N ATOM 520 CD2 HIS A 89 6.293 -1.094 12.161 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.700 -3.212 12.365 1.00 1.27 C ATOM 522 NE2 HIS A 89 5.832 -2.270 12.744 1.00 0.82 N ATOM 0 H HIS A 89 7.745 -1.731 8.546 1.00 0.34 H new ATOM 0 HA HIS A 89 6.593 0.575 9.875 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.163 -1.036 10.223 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.759 0.317 11.261 1.00 0.41 H new ATOM 0 HD1 HIS A 89 8.448 -3.231 11.175 1.00 1.43 H new ATOM 0 HD2 HIS A 89 5.825 -0.126 12.260 1.00 1.01 H new ATOM 0 HE1 HIS A 89 6.629 -4.251 12.650 1.00 1.27 H new ATOM 530 N PHE A 90 9.189 1.016 7.925 1.00 0.34 N ATOM 531 CA PHE A 90 9.994 2.103 7.306 1.00 0.37 C ATOM 532 C PHE A 90 9.046 3.173 6.770 1.00 0.40 C ATOM 533 O PHE A 90 9.058 4.307 7.206 1.00 0.47 O ATOM 534 CB PHE A 90 10.826 1.535 6.155 1.00 0.38 C ATOM 535 CG PHE A 90 11.846 2.560 5.717 1.00 0.47 C ATOM 536 CD1 PHE A 90 11.492 3.550 4.792 1.00 0.59 C ATOM 537 CD2 PHE A 90 13.145 2.520 6.236 1.00 0.57 C ATOM 538 CE1 PHE A 90 12.437 4.500 4.387 1.00 0.70 C ATOM 539 CE2 PHE A 90 14.091 3.470 5.830 1.00 0.69 C ATOM 540 CZ PHE A 90 13.736 4.459 4.906 1.00 0.72 C ATOM 0 H PHE A 90 9.358 0.079 7.558 1.00 0.34 H new ATOM 0 HA PHE A 90 10.663 2.537 8.049 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.327 0.620 6.471 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.178 1.271 5.319 1.00 0.38 H new ATOM 0 HD1 PHE A 90 10.490 3.581 4.391 1.00 0.59 H new ATOM 0 HD2 PHE A 90 13.418 1.757 6.950 1.00 0.57 H new ATOM 0 HE1 PHE A 90 12.164 5.264 3.674 1.00 0.70 H new ATOM 0 HE2 PHE A 90 15.094 3.439 6.230 1.00 0.69 H new ATOM 0 HZ PHE A 90 14.465 5.192 4.593 1.00 0.72 H new ATOM 550 N LEU A 91 8.223 2.818 5.825 1.00 0.37 N ATOM 551 CA LEU A 91 7.270 3.806 5.252 1.00 0.42 C ATOM 552 C LEU A 91 6.291 4.296 6.324 1.00 0.47 C ATOM 553 O LEU A 91 5.689 5.337 6.183 1.00 0.57 O ATOM 554 CB LEU A 91 6.483 3.152 4.114 1.00 0.41 C ATOM 555 CG LEU A 91 7.419 2.845 2.930 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.786 1.767 2.051 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.645 4.106 2.082 1.00 0.54 C ATOM 0 H LEU A 91 8.169 1.882 5.423 1.00 0.37 H new ATOM 0 HA LEU A 91 7.836 4.658 4.875 1.00 0.42 H new ATOM 0 HB2 LEU A 91 6.016 2.232 4.466 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.680 3.814 3.790 1.00 0.41 H new ATOM 0 HG LEU A 91 8.376 2.501 3.322 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.446 1.548 1.212 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.633 0.862 2.639 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.827 2.122 1.674 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.309 3.871 1.250 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.690 4.460 1.695 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.097 4.883 2.698 1.00 0.54 H new ATOM 569 N LYS A 92 6.103 3.563 7.389 1.00 0.45 N ATOM 570 CA LYS A 92 5.137 4.029 8.425 1.00 0.53 C ATOM 571 C LYS A 92 5.630 5.341 9.041 1.00 0.63 C ATOM 572 O LYS A 92 4.994 6.369 8.923 1.00 0.85 O ATOM 573 CB LYS A 92 4.995 2.965 9.520 1.00 0.54 C ATOM 574 CG LYS A 92 3.707 3.201 10.325 1.00 0.73 C ATOM 575 CD LYS A 92 3.794 4.529 11.101 1.00 1.20 C ATOM 576 CE LYS A 92 2.862 4.490 12.317 1.00 1.61 C ATOM 577 NZ LYS A 92 1.449 4.398 11.852 1.00 2.27 N ATOM 0 H LYS A 92 6.568 2.676 7.585 1.00 0.45 H new ATOM 0 HA LYS A 92 4.166 4.194 7.958 1.00 0.53 H new ATOM 0 HB2 LYS A 92 4.976 1.972 9.072 1.00 0.54 H new ATOM 0 HB3 LYS A 92 5.859 2.998 10.184 1.00 0.54 H new ATOM 0 HG2 LYS A 92 2.849 3.221 9.653 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.549 2.376 11.020 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.820 4.703 11.425 1.00 1.20 H new ATOM 0 HD3 LYS A 92 3.520 5.359 10.449 1.00 1.20 H new ATOM 0 HE2 LYS A 92 3.105 3.636 12.949 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.000 5.385 12.924 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 0.808 4.541 12.658 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 1.271 5.129 11.134 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 1.280 3.459 11.438 1.00 2.27 H new ATOM 591 N GLU A 93 6.743 5.311 9.715 1.00 0.62 N ATOM 592 CA GLU A 93 7.257 6.553 10.358 1.00 0.76 C ATOM 593 C GLU A 93 7.704 7.567 9.298 1.00 0.77 C ATOM 594 O GLU A 93 7.269 8.700 9.289 1.00 1.05 O ATOM 595 CB GLU A 93 8.445 6.200 11.256 1.00 0.94 C ATOM 596 CG GLU A 93 7.996 5.202 12.326 1.00 1.22 C ATOM 597 CD GLU A 93 9.219 4.686 13.088 1.00 2.00 C ATOM 598 OE1 GLU A 93 10.259 4.537 12.469 1.00 2.54 O ATOM 599 OE2 GLU A 93 9.092 4.449 14.279 1.00 2.73 O ATOM 0 H GLU A 93 7.320 4.481 9.850 1.00 0.62 H new ATOM 0 HA GLU A 93 6.458 6.998 10.951 1.00 0.76 H new ATOM 0 HB2 GLU A 93 9.251 5.772 10.660 1.00 0.94 H new ATOM 0 HB3 GLU A 93 8.840 7.101 11.726 1.00 0.94 H new ATOM 0 HG2 GLU A 93 7.300 5.680 13.015 1.00 1.22 H new ATOM 0 HG3 GLU A 93 7.465 4.370 11.863 1.00 1.22 H new ATOM 606 N LYS A 94 8.590 7.178 8.423 1.00 0.80 N ATOM 607 CA LYS A 94 9.086 8.131 7.387 1.00 1.02 C ATOM 608 C LYS A 94 8.064 8.305 6.252 1.00 0.96 C ATOM 609 O LYS A 94 7.744 9.411 5.864 1.00 1.41 O ATOM 610 CB LYS A 94 10.404 7.602 6.812 1.00 1.39 C ATOM 611 CG LYS A 94 11.496 7.677 7.884 1.00 1.63 C ATOM 612 CD LYS A 94 12.855 7.356 7.256 1.00 2.18 C ATOM 613 CE LYS A 94 13.910 7.232 8.358 1.00 2.61 C ATOM 614 NZ LYS A 94 15.176 6.703 7.778 1.00 2.96 N ATOM 0 H LYS A 94 8.993 6.242 8.380 1.00 0.80 H new ATOM 0 HA LYS A 94 9.239 9.103 7.855 1.00 1.02 H new ATOM 0 HB2 LYS A 94 10.279 6.573 6.476 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.694 8.189 5.940 1.00 1.39 H new ATOM 0 HG2 LYS A 94 11.515 8.672 8.329 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.280 6.973 8.688 1.00 1.63 H new ATOM 0 HD2 LYS A 94 12.795 6.427 6.689 1.00 2.18 H new ATOM 0 HD3 LYS A 94 13.138 8.140 6.554 1.00 2.18 H new ATOM 0 HE2 LYS A 94 14.087 8.204 8.818 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.553 6.568 9.145 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 15.893 6.619 8.527 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 15.002 5.767 7.359 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 15.519 7.353 7.042 1.00 2.96 H new ATOM 628 N GLY A 95 7.573 7.231 5.697 1.00 1.12 N ATOM 629 CA GLY A 95 6.600 7.350 4.566 1.00 1.51 C ATOM 630 C GLY A 95 5.307 8.037 5.021 1.00 1.10 C ATOM 631 O GLY A 95 4.973 9.112 4.562 1.00 1.71 O ATOM 0 H GLY A 95 7.801 6.276 5.975 1.00 1.12 H new ATOM 0 HA2 GLY A 95 7.051 7.918 3.753 1.00 1.51 H new ATOM 0 HA3 GLY A 95 6.371 6.359 4.174 1.00 1.51 H new ATOM 635 N GLY A 96 4.570 7.423 5.906 1.00 1.17 N ATOM 636 CA GLY A 96 3.288 8.034 6.374 1.00 0.99 C ATOM 637 C GLY A 96 2.151 7.631 5.425 1.00 0.81 C ATOM 638 O GLY A 96 1.318 8.436 5.059 1.00 0.83 O ATOM 0 H GLY A 96 4.799 6.523 6.327 1.00 1.17 H new ATOM 0 HA2 GLY A 96 3.064 7.703 7.388 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.381 9.120 6.407 1.00 0.99 H new ATOM 642 N LEU A 97 2.113 6.386 5.023 1.00 0.67 N ATOM 643 CA LEU A 97 1.037 5.919 4.099 1.00 0.55 C ATOM 644 C LEU A 97 -0.216 5.572 4.914 1.00 0.46 C ATOM 645 O LEU A 97 -1.312 5.496 4.396 1.00 0.49 O ATOM 646 CB LEU A 97 1.541 4.676 3.353 1.00 0.54 C ATOM 647 CG LEU A 97 0.512 4.216 2.311 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.340 5.289 1.219 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.996 2.905 1.676 1.00 0.66 C ATOM 0 H LEU A 97 2.785 5.669 5.297 1.00 0.67 H new ATOM 0 HA LEU A 97 0.786 6.700 3.382 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.488 4.899 2.862 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.732 3.872 4.063 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.450 4.060 2.799 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.393 4.949 0.487 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.005 6.218 1.673 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.296 5.460 0.723 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.271 2.571 0.934 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.960 3.068 1.194 1.00 0.66 H new ATOM 0 HD23 LEU A 97 1.102 2.144 2.449 1.00 0.66 H new ATOM 661 N GLU A 98 -0.054 5.359 6.189 1.00 0.44 N ATOM 662 CA GLU A 98 -1.221 5.015 7.053 1.00 0.40 C ATOM 663 C GLU A 98 -2.309 6.085 6.941 1.00 0.40 C ATOM 664 O GLU A 98 -2.043 7.244 6.693 1.00 0.58 O ATOM 665 CB GLU A 98 -0.754 4.921 8.510 1.00 0.49 C ATOM 666 CG GLU A 98 -1.960 4.706 9.444 1.00 0.48 C ATOM 667 CD GLU A 98 -2.606 6.050 9.808 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.122 7.071 9.346 1.00 2.03 O ATOM 669 OE2 GLU A 98 -3.576 6.033 10.547 1.00 1.94 O ATOM 0 H GLU A 98 0.842 5.408 6.675 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.634 4.061 6.725 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.048 4.098 8.621 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.226 5.833 8.790 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.694 4.063 8.958 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.638 4.193 10.351 1.00 0.48 H new ATOM 676 N GLY A 99 -3.533 5.691 7.152 1.00 0.39 N ATOM 677 CA GLY A 99 -4.674 6.653 7.100 1.00 0.42 C ATOM 678 C GLY A 99 -4.648 7.486 5.812 1.00 0.42 C ATOM 679 O GLY A 99 -5.477 8.353 5.618 1.00 0.46 O ATOM 0 H GLY A 99 -3.797 4.728 7.362 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.615 6.107 7.162 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.632 7.316 7.964 1.00 0.42 H new ATOM 683 N LEU A 100 -3.722 7.240 4.929 1.00 0.41 N ATOM 684 CA LEU A 100 -3.683 8.034 3.664 1.00 0.43 C ATOM 685 C LEU A 100 -4.798 7.534 2.735 1.00 0.42 C ATOM 686 O LEU A 100 -4.784 6.401 2.294 1.00 0.44 O ATOM 687 CB LEU A 100 -2.306 7.856 2.994 1.00 0.45 C ATOM 688 CG LEU A 100 -1.949 9.093 2.141 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.309 10.173 3.023 1.00 1.15 C ATOM 690 CD2 LEU A 100 -0.949 8.698 1.044 1.00 1.17 C ATOM 0 H LEU A 100 -2.995 6.531 5.024 1.00 0.41 H new ATOM 0 HA LEU A 100 -3.836 9.093 3.874 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.543 7.701 3.756 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.314 6.965 2.366 1.00 0.45 H new ATOM 0 HG LEU A 100 -2.863 9.480 1.690 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.061 11.041 2.413 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.010 10.467 3.804 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.401 9.779 3.480 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -0.701 9.574 0.445 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.043 8.303 1.503 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.393 7.936 0.404 1.00 1.17 H new ATOM 702 N ILE A 101 -5.771 8.359 2.445 1.00 0.44 N ATOM 703 CA ILE A 101 -6.883 7.905 1.559 1.00 0.45 C ATOM 704 C ILE A 101 -6.335 7.509 0.177 1.00 0.46 C ATOM 705 O ILE A 101 -5.961 8.346 -0.623 1.00 0.49 O ATOM 706 CB ILE A 101 -7.957 9.012 1.459 1.00 0.50 C ATOM 707 CG1 ILE A 101 -8.883 8.951 2.699 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.793 8.855 0.183 1.00 0.54 C ATOM 709 CD1 ILE A 101 -9.959 7.845 2.549 1.00 0.52 C ATOM 0 H ILE A 101 -5.843 9.320 2.780 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.354 7.020 1.987 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.453 9.978 1.422 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.286 8.761 3.591 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.369 9.916 2.840 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.541 9.647 0.138 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.142 8.921 -0.689 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.291 7.886 0.191 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.591 7.830 3.437 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.571 8.050 1.671 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.472 6.877 2.434 1.00 0.52 H new ATOM 721 N HIS A 102 -6.295 6.225 -0.102 1.00 0.47 N ATOM 722 CA HIS A 102 -5.782 5.746 -1.422 1.00 0.51 C ATOM 723 C HIS A 102 -6.725 6.223 -2.533 1.00 0.58 C ATOM 724 O HIS A 102 -7.804 5.681 -2.726 1.00 0.64 O ATOM 725 CB HIS A 102 -5.687 4.204 -1.408 1.00 0.57 C ATOM 726 CG HIS A 102 -5.689 3.650 -2.815 1.00 0.64 C ATOM 727 ND1 HIS A 102 -6.735 2.881 -3.302 1.00 1.41 N ATOM 728 CD2 HIS A 102 -4.785 3.742 -3.841 1.00 0.64 C ATOM 729 CE1 HIS A 102 -6.434 2.544 -4.570 1.00 1.36 C ATOM 730 NE2 HIS A 102 -5.255 3.043 -4.949 1.00 0.70 N ATOM 0 H HIS A 102 -6.598 5.487 0.534 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.788 6.152 -1.608 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -4.777 3.896 -0.893 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.525 3.789 -0.848 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -3.848 4.277 -3.796 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -7.069 1.943 -5.204 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.798 2.935 -5.854 1.00 0.70 H new ATOM 738 N SER A 103 -6.307 7.229 -3.261 1.00 0.60 N ATOM 739 CA SER A 103 -7.136 7.770 -4.376 1.00 0.69 C ATOM 740 C SER A 103 -7.235 6.732 -5.497 1.00 0.76 C ATOM 741 O SER A 103 -8.189 5.984 -5.582 1.00 0.85 O ATOM 742 CB SER A 103 -6.480 9.038 -4.922 1.00 0.74 C ATOM 743 OG SER A 103 -5.209 8.708 -5.467 1.00 1.49 O ATOM 0 H SER A 103 -5.414 7.703 -3.126 1.00 0.60 H new ATOM 0 HA SER A 103 -8.135 7.999 -4.005 1.00 0.69 H new ATOM 0 HB2 SER A 103 -7.112 9.488 -5.688 1.00 0.74 H new ATOM 0 HB3 SER A 103 -6.368 9.775 -4.127 1.00 0.74 H new ATOM 0 HG SER A 103 -5.190 8.942 -6.418 1.00 1.49 H new ATOM 749 N GLN A 104 -6.255 6.686 -6.362 1.00 0.81 N ATOM 750 CA GLN A 104 -6.288 5.701 -7.482 1.00 0.92 C ATOM 751 C GLN A 104 -4.862 5.450 -7.990 1.00 0.93 C ATOM 752 O GLN A 104 -4.349 4.352 -7.911 1.00 1.37 O ATOM 753 CB GLN A 104 -7.149 6.260 -8.624 1.00 1.06 C ATOM 754 CG GLN A 104 -7.576 5.122 -9.558 1.00 1.76 C ATOM 755 CD GLN A 104 -8.737 4.348 -8.929 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.532 3.339 -8.283 1.00 2.64 O ATOM 757 NE2 GLN A 104 -9.957 4.781 -9.091 1.00 2.70 N ATOM 0 H GLN A 104 -5.433 7.289 -6.340 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.714 4.762 -7.129 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -8.029 6.759 -8.218 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.587 7.009 -9.182 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.876 5.525 -10.525 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -6.735 4.452 -9.739 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -10.130 5.628 -9.633 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -10.738 4.273 -8.676 1.00 2.70 H new ATOM 766 N ARG A 105 -4.225 6.460 -8.521 1.00 0.83 N ATOM 767 CA ARG A 105 -2.838 6.285 -9.046 1.00 0.87 C ATOM 768 C ARG A 105 -1.823 6.374 -7.901 1.00 0.74 C ATOM 769 O ARG A 105 -0.660 6.059 -8.065 1.00 0.70 O ATOM 770 CB ARG A 105 -2.539 7.382 -10.070 1.00 1.06 C ATOM 771 CG ARG A 105 -3.704 7.500 -11.055 1.00 1.71 C ATOM 772 CD ARG A 105 -3.288 8.383 -12.235 1.00 1.99 C ATOM 773 NE ARG A 105 -2.413 7.601 -13.152 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.149 8.052 -14.347 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.635 9.201 -14.732 1.00 3.73 N ATOM 776 NH2 ARG A 105 -1.396 7.357 -15.156 1.00 4.61 N ATOM 0 H ARG A 105 -4.606 7.401 -8.614 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.760 5.305 -9.517 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.382 8.334 -9.562 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.619 7.151 -10.606 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -3.994 6.512 -11.411 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -4.574 7.927 -10.556 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -4.171 8.735 -12.769 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -2.760 9.266 -11.875 1.00 1.99 H new ATOM 0 HE ARG A 105 -2.020 6.711 -12.845 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -3.221 9.745 -14.098 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.429 9.555 -15.666 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -1.014 6.461 -14.854 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -1.190 7.710 -16.090 1.00 4.61 H new ATOM 790 N ARG A 106 -2.247 6.808 -6.746 1.00 0.71 N ATOM 791 CA ARG A 106 -1.302 6.924 -5.598 1.00 0.65 C ATOM 792 C ARG A 106 -0.580 5.588 -5.384 1.00 0.54 C ATOM 793 O ARG A 106 0.573 5.548 -5.000 1.00 0.50 O ATOM 794 CB ARG A 106 -2.091 7.285 -4.335 1.00 0.70 C ATOM 795 CG ARG A 106 -2.472 8.774 -4.363 1.00 1.01 C ATOM 796 CD ARG A 106 -1.244 9.671 -4.086 1.00 1.24 C ATOM 797 NE ARG A 106 -1.675 10.840 -3.270 1.00 1.86 N ATOM 798 CZ ARG A 106 -0.784 11.584 -2.670 1.00 2.48 C ATOM 799 NH1 ARG A 106 0.486 11.314 -2.799 1.00 2.86 N ATOM 800 NH2 ARG A 106 -1.165 12.598 -1.942 1.00 3.29 N ATOM 0 H ARG A 106 -3.207 7.088 -6.547 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.565 7.699 -5.809 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.990 6.672 -4.270 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.494 7.070 -3.449 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.897 9.025 -5.335 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -3.243 8.969 -3.618 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -0.476 9.106 -3.559 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -0.804 10.008 -5.025 1.00 1.24 H new ATOM 0 HE ARG A 106 -2.667 11.060 -3.179 1.00 1.86 H new ATOM 0 HH11 ARG A 106 0.784 10.522 -3.368 1.00 2.86 H new ATOM 0 HH12 ARG A 106 1.181 11.895 -2.330 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -2.158 12.809 -1.842 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -0.470 13.179 -1.473 1.00 3.29 H new ATOM 814 N GLN A 107 -1.249 4.494 -5.624 1.00 0.55 N ATOM 815 CA GLN A 107 -0.603 3.163 -5.427 1.00 0.52 C ATOM 816 C GLN A 107 0.569 2.998 -6.398 1.00 0.49 C ATOM 817 O GLN A 107 1.621 2.512 -6.040 1.00 0.44 O ATOM 818 CB GLN A 107 -1.630 2.057 -5.677 1.00 0.63 C ATOM 819 CG GLN A 107 -2.017 2.027 -7.159 1.00 1.11 C ATOM 820 CD GLN A 107 -3.271 1.169 -7.343 1.00 1.53 C ATOM 821 OE1 GLN A 107 -4.338 1.525 -6.886 1.00 2.13 O ATOM 822 NE2 GLN A 107 -3.184 0.043 -7.997 1.00 2.12 N ATOM 0 H GLN A 107 -2.216 4.463 -5.948 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.231 3.096 -4.405 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.217 1.093 -5.381 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.516 2.227 -5.065 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.201 3.040 -7.518 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.197 1.622 -7.752 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -2.287 -0.256 -8.381 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -4.013 -0.538 -8.124 1.00 2.12 H new ATOM 831 N ASP A 108 0.391 3.386 -7.627 1.00 0.56 N ATOM 832 CA ASP A 108 1.493 3.236 -8.622 1.00 0.59 C ATOM 833 C ASP A 108 2.757 3.928 -8.105 1.00 0.54 C ATOM 834 O ASP A 108 3.836 3.372 -8.144 1.00 0.54 O ATOM 835 CB ASP A 108 1.072 3.864 -9.951 1.00 0.72 C ATOM 836 CG ASP A 108 -0.134 3.107 -10.512 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.099 2.950 -9.782 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.071 2.696 -11.659 1.00 1.33 O ATOM 0 H ASP A 108 -0.468 3.801 -7.989 1.00 0.56 H new ATOM 0 HA ASP A 108 1.700 2.176 -8.771 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.820 4.915 -9.806 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.899 3.829 -10.660 1.00 0.72 H new ATOM 843 N ILE A 109 2.638 5.134 -7.619 1.00 0.55 N ATOM 844 CA ILE A 109 3.844 5.843 -7.102 1.00 0.54 C ATOM 845 C ILE A 109 4.572 4.936 -6.110 1.00 0.47 C ATOM 846 O ILE A 109 5.774 4.765 -6.174 1.00 0.53 O ATOM 847 CB ILE A 109 3.420 7.138 -6.402 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.528 7.954 -7.340 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.662 7.960 -6.041 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.089 9.242 -6.640 1.00 1.47 C ATOM 0 H ILE A 109 1.764 5.656 -7.558 1.00 0.55 H new ATOM 0 HA ILE A 109 4.509 6.087 -7.931 1.00 0.54 H new ATOM 0 HB ILE A 109 2.871 6.894 -5.493 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.068 8.192 -8.256 1.00 0.70 H new ATOM 0 HG13 ILE A 109 1.655 7.369 -7.628 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.357 8.881 -5.543 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.300 7.381 -5.374 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.213 8.204 -6.949 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.454 9.822 -7.310 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.532 8.993 -5.736 1.00 1.47 H new ATOM 0 HD13 ILE A 109 2.968 9.830 -6.374 1.00 1.47 H new ATOM 862 N LEU A 110 3.854 4.354 -5.191 1.00 0.43 N ATOM 863 CA LEU A 110 4.500 3.456 -4.190 1.00 0.39 C ATOM 864 C LEU A 110 5.401 2.449 -4.908 1.00 0.38 C ATOM 865 O LEU A 110 6.611 2.490 -4.800 1.00 0.38 O ATOM 866 CB LEU A 110 3.411 2.701 -3.417 1.00 0.42 C ATOM 867 CG LEU A 110 4.036 1.816 -2.328 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.728 2.687 -1.268 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.931 0.981 -1.667 1.00 0.66 C ATOM 0 H LEU A 110 2.845 4.461 -5.089 1.00 0.43 H new ATOM 0 HA LEU A 110 5.100 4.050 -3.501 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.720 3.412 -2.963 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.830 2.086 -4.104 1.00 0.42 H new ATOM 0 HG LEU A 110 4.779 1.159 -2.780 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.167 2.048 -0.502 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.512 3.279 -1.739 1.00 0.56 H new ATOM 0 HD13 LEU A 110 3.996 3.353 -0.810 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.366 0.350 -0.892 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.191 1.645 -1.221 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.450 0.354 -2.418 1.00 0.66 H new ATOM 881 N ASP A 111 4.813 1.535 -5.628 1.00 0.40 N ATOM 882 CA ASP A 111 5.617 0.506 -6.345 1.00 0.42 C ATOM 883 C ASP A 111 6.738 1.176 -7.147 1.00 0.43 C ATOM 884 O ASP A 111 7.873 0.742 -7.124 1.00 0.42 O ATOM 885 CB ASP A 111 4.700 -0.264 -7.296 1.00 0.50 C ATOM 886 CG ASP A 111 3.405 -0.628 -6.568 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.368 -1.685 -5.960 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.472 0.155 -6.629 1.00 1.30 O ATOM 0 H ASP A 111 3.804 1.456 -5.751 1.00 0.40 H new ATOM 0 HA ASP A 111 6.062 -0.176 -5.620 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.478 0.341 -8.175 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.199 -1.167 -7.648 1.00 0.50 H new ATOM 893 N LEU A 112 6.430 2.222 -7.862 1.00 0.48 N ATOM 894 CA LEU A 112 7.479 2.909 -8.671 1.00 0.52 C ATOM 895 C LEU A 112 8.530 3.524 -7.741 1.00 0.48 C ATOM 896 O LEU A 112 9.714 3.291 -7.891 1.00 0.47 O ATOM 897 CB LEU A 112 6.814 4.006 -9.525 1.00 0.60 C ATOM 898 CG LEU A 112 7.637 4.279 -10.794 1.00 0.70 C ATOM 899 CD1 LEU A 112 6.858 5.228 -11.709 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.979 4.921 -10.419 1.00 1.26 C ATOM 0 H LEU A 112 5.498 2.632 -7.922 1.00 0.48 H new ATOM 0 HA LEU A 112 7.973 2.191 -9.326 1.00 0.52 H new ATOM 0 HB2 LEU A 112 5.805 3.699 -9.799 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.721 4.922 -8.942 1.00 0.60 H new ATOM 0 HG LEU A 112 7.822 3.337 -11.311 1.00 0.70 H new ATOM 0 HD11 LEU A 112 7.439 5.424 -12.610 1.00 1.45 H new ATOM 0 HD12 LEU A 112 5.907 4.771 -11.983 1.00 1.45 H new ATOM 0 HD13 LEU A 112 6.672 6.166 -11.186 1.00 1.45 H new ATOM 0 HD21 LEU A 112 9.557 5.111 -11.324 1.00 1.26 H new ATOM 0 HD22 LEU A 112 8.799 5.862 -9.898 1.00 1.26 H new ATOM 0 HD23 LEU A 112 9.536 4.247 -9.768 1.00 1.26 H new ATOM 912 N TRP A 113 8.115 4.303 -6.779 1.00 0.48 N ATOM 913 CA TRP A 113 9.101 4.925 -5.850 1.00 0.48 C ATOM 914 C TRP A 113 10.081 3.859 -5.361 1.00 0.43 C ATOM 915 O TRP A 113 11.280 4.058 -5.363 1.00 0.45 O ATOM 916 CB TRP A 113 8.367 5.529 -4.650 1.00 0.52 C ATOM 917 CG TRP A 113 9.351 6.196 -3.742 1.00 0.56 C ATOM 918 CD1 TRP A 113 9.903 7.413 -3.954 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.905 5.709 -2.485 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.758 7.704 -2.908 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.795 6.686 -1.976 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.724 4.527 -1.743 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.479 6.497 -0.776 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.411 4.333 -0.534 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.287 5.317 -0.051 1.00 0.67 C ATOM 0 H TRP A 113 7.139 4.535 -6.597 1.00 0.48 H new ATOM 0 HA TRP A 113 9.646 5.710 -6.374 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.625 6.251 -4.991 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.829 4.750 -4.110 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.707 8.052 -4.802 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.297 8.567 -2.833 1.00 0.70 H new ATOM 0 HE3 TRP A 113 9.052 3.764 -2.106 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.153 7.257 -0.409 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 10.264 3.422 0.027 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.812 5.163 0.880 1.00 0.67 H new ATOM 936 N ILE A 114 9.584 2.728 -4.949 1.00 0.39 N ATOM 937 CA ILE A 114 10.495 1.654 -4.469 1.00 0.37 C ATOM 938 C ILE A 114 11.473 1.285 -5.589 1.00 0.39 C ATOM 939 O ILE A 114 12.610 0.935 -5.341 1.00 0.44 O ATOM 940 CB ILE A 114 9.677 0.414 -4.082 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.691 0.758 -2.941 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.625 -0.710 -3.652 1.00 0.42 C ATOM 943 CD1 ILE A 114 9.377 0.695 -1.566 1.00 1.00 C ATOM 0 H ILE A 114 8.590 2.501 -4.924 1.00 0.39 H new ATOM 0 HA ILE A 114 11.046 2.009 -3.598 1.00 0.37 H new ATOM 0 HB ILE A 114 9.099 0.081 -4.944 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.283 1.756 -3.100 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.851 0.063 -2.962 1.00 0.37 H new ATOM 0 HG21 ILE A 114 10.044 -1.591 -3.377 1.00 0.42 H new ATOM 0 HG22 ILE A 114 11.293 -0.959 -4.477 1.00 0.42 H new ATOM 0 HG23 ILE A 114 11.214 -0.382 -2.795 1.00 0.42 H new ATOM 0 HD11 ILE A 114 8.655 0.942 -0.788 1.00 1.00 H new ATOM 0 HD12 ILE A 114 9.762 -0.311 -1.397 1.00 1.00 H new ATOM 0 HD13 ILE A 114 10.200 1.409 -1.537 1.00 1.00 H new ATOM 955 N TYR A 115 11.036 1.347 -6.819 1.00 0.40 N ATOM 956 CA TYR A 115 11.936 0.987 -7.955 1.00 0.46 C ATOM 957 C TYR A 115 13.112 1.975 -8.044 1.00 0.51 C ATOM 958 O TYR A 115 14.260 1.599 -7.910 1.00 0.54 O ATOM 959 CB TYR A 115 11.123 1.008 -9.264 1.00 0.53 C ATOM 960 CG TYR A 115 11.715 0.034 -10.266 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.629 -1.347 -10.036 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.347 0.512 -11.423 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.176 -2.245 -10.960 1.00 0.65 C ATOM 964 CE2 TYR A 115 12.891 -0.389 -12.345 1.00 0.82 C ATOM 965 CZ TYR A 115 12.805 -1.766 -12.114 1.00 0.77 C ATOM 966 OH TYR A 115 13.342 -2.653 -13.025 1.00 0.87 O ATOM 0 H TYR A 115 10.094 1.632 -7.087 1.00 0.40 H new ATOM 0 HA TYR A 115 12.343 -0.011 -7.792 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.085 0.745 -9.060 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.120 2.014 -9.683 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.141 -1.717 -9.147 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.414 1.575 -11.602 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.112 -3.308 -10.782 1.00 0.65 H new ATOM 0 HE2 TYR A 115 13.378 -0.021 -13.236 1.00 0.82 H new ATOM 0 HH TYR A 115 13.741 -2.156 -13.770 1.00 0.87 H new ATOM 976 N HIS A 116 12.836 3.231 -8.284 1.00 0.58 N ATOM 977 CA HIS A 116 13.935 4.243 -8.401 1.00 0.67 C ATOM 978 C HIS A 116 14.725 4.348 -7.087 1.00 0.67 C ATOM 979 O HIS A 116 15.530 5.243 -6.926 1.00 0.81 O ATOM 980 CB HIS A 116 13.324 5.615 -8.730 1.00 0.79 C ATOM 981 CG HIS A 116 12.998 5.702 -10.198 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.257 6.842 -10.943 1.00 1.99 N ATOM 983 CD2 HIS A 116 12.430 4.806 -11.069 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.852 6.604 -12.203 1.00 2.71 C ATOM 985 NE2 HIS A 116 12.339 5.377 -12.335 1.00 2.74 N ATOM 0 H HIS A 116 11.894 3.603 -8.405 1.00 0.58 H new ATOM 0 HA HIS A 116 14.614 3.929 -9.193 1.00 0.67 H new ATOM 0 HB2 HIS A 116 12.421 5.770 -8.140 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.022 6.407 -8.458 1.00 0.79 H new ATOM 0 HD2 HIS A 116 12.103 3.809 -10.811 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.932 7.317 -13.010 1.00 2.71 H new ATOM 0 HE2 HIS A 116 11.962 4.951 -13.181 1.00 2.74 H new ATOM 993 N THR A 117 14.501 3.460 -6.145 1.00 0.63 N ATOM 994 CA THR A 117 15.247 3.530 -4.840 1.00 0.68 C ATOM 995 C THR A 117 15.941 2.197 -4.549 1.00 0.66 C ATOM 996 O THR A 117 17.087 1.992 -4.895 1.00 0.73 O ATOM 997 CB THR A 117 14.266 3.835 -3.709 1.00 0.80 C ATOM 998 OG1 THR A 117 13.194 2.908 -3.754 1.00 0.85 O ATOM 999 CG2 THR A 117 13.725 5.257 -3.867 1.00 0.91 C ATOM 0 H THR A 117 13.836 2.690 -6.221 1.00 0.63 H new ATOM 0 HA THR A 117 15.998 4.317 -4.909 1.00 0.68 H new ATOM 0 HB THR A 117 14.778 3.751 -2.750 1.00 0.80 H new ATOM 0 HG1 THR A 117 12.444 3.299 -4.250 1.00 0.85 H new ATOM 0 HG21 THR A 117 13.026 5.472 -3.059 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.551 5.967 -3.830 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.212 5.347 -4.825 1.00 0.91 H new ATOM 1007 N GLN A 118 15.258 1.298 -3.892 1.00 0.73 N ATOM 1008 CA GLN A 118 15.879 -0.013 -3.548 1.00 0.83 C ATOM 1009 C GLN A 118 15.830 -0.956 -4.753 1.00 0.72 C ATOM 1010 O GLN A 118 16.478 -1.983 -4.774 1.00 0.91 O ATOM 1011 CB GLN A 118 15.107 -0.634 -2.387 1.00 1.06 C ATOM 1012 CG GLN A 118 15.162 0.301 -1.177 1.00 1.48 C ATOM 1013 CD GLN A 118 14.222 -0.207 -0.079 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.214 -0.978 -0.394 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 14.404 0.105 1.081 1.00 2.13 N flip ATOM 0 H GLN A 118 14.295 1.416 -3.578 1.00 0.73 H new ATOM 0 HA GLN A 118 16.921 0.144 -3.267 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.071 -0.809 -2.678 1.00 1.06 H new ATOM 0 HB3 GLN A 118 15.534 -1.603 -2.130 1.00 1.06 H new ATOM 0 HG2 GLN A 118 16.182 0.357 -0.797 1.00 1.48 H new ATOM 0 HG3 GLN A 118 14.876 1.310 -1.474 1.00 1.48 H new ATOM 0 HE21 GLN A 118 15.189 0.706 1.330 1.00 2.13 H new ATOM 0 HE22 GLN A 118 13.771 -0.234 1.806 1.00 2.13 H new ATOM 1024 N GLY A 119 15.082 -0.609 -5.762 1.00 0.86 N ATOM 1025 CA GLY A 119 15.011 -1.474 -6.975 1.00 0.85 C ATOM 1026 C GLY A 119 14.289 -2.793 -6.671 1.00 0.65 C ATOM 1027 O GLY A 119 14.383 -3.738 -7.431 1.00 0.67 O ATOM 0 H GLY A 119 14.515 0.238 -5.800 1.00 0.86 H new ATOM 0 HA2 GLY A 119 14.489 -0.945 -7.772 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.018 -1.682 -7.337 1.00 0.85 H new ATOM 1031 N TYR A 120 13.562 -2.880 -5.588 1.00 0.54 N ATOM 1032 CA TYR A 120 12.848 -4.157 -5.294 1.00 0.44 C ATOM 1033 C TYR A 120 11.665 -4.287 -6.260 1.00 0.49 C ATOM 1034 O TYR A 120 10.964 -3.331 -6.533 1.00 0.70 O ATOM 1035 CB TYR A 120 12.338 -4.154 -3.839 1.00 0.48 C ATOM 1036 CG TYR A 120 13.400 -4.717 -2.913 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.810 -6.049 -3.050 1.00 0.58 C ATOM 1038 CD2 TYR A 120 13.969 -3.910 -1.922 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.789 -6.571 -2.196 1.00 0.71 C ATOM 1040 CE2 TYR A 120 14.949 -4.432 -1.070 1.00 0.71 C ATOM 1041 CZ TYR A 120 15.359 -5.763 -1.206 1.00 0.75 C ATOM 1042 OH TYR A 120 16.325 -6.279 -0.367 1.00 0.91 O ATOM 0 H TYR A 120 13.433 -2.135 -4.904 1.00 0.54 H new ATOM 0 HA TYR A 120 13.528 -4.999 -5.421 1.00 0.44 H new ATOM 0 HB2 TYR A 120 12.083 -3.138 -3.537 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.427 -4.748 -3.764 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.371 -6.673 -3.814 1.00 0.58 H new ATOM 0 HD2 TYR A 120 13.652 -2.883 -1.814 1.00 0.60 H new ATOM 0 HE1 TYR A 120 15.105 -7.598 -2.301 1.00 0.71 H new ATOM 0 HE2 TYR A 120 15.389 -3.807 -0.307 1.00 0.71 H new ATOM 0 HH TYR A 120 16.616 -5.586 0.262 1.00 0.91 H new ATOM 1052 N PHE A 121 11.444 -5.461 -6.781 1.00 0.48 N ATOM 1053 CA PHE A 121 10.315 -5.658 -7.734 1.00 0.57 C ATOM 1054 C PHE A 121 8.999 -5.778 -6.932 1.00 0.55 C ATOM 1055 O PHE A 121 8.953 -6.476 -5.939 1.00 0.59 O ATOM 1056 CB PHE A 121 10.557 -6.947 -8.530 1.00 0.68 C ATOM 1057 CG PHE A 121 9.711 -6.950 -9.783 1.00 1.42 C ATOM 1058 CD1 PHE A 121 8.374 -7.351 -9.719 1.00 2.33 C ATOM 1059 CD2 PHE A 121 10.268 -6.558 -11.006 1.00 2.32 C ATOM 1060 CE1 PHE A 121 7.589 -7.360 -10.877 1.00 3.43 C ATOM 1061 CE2 PHE A 121 9.483 -6.567 -12.166 1.00 3.44 C ATOM 1062 CZ PHE A 121 8.143 -6.968 -12.102 1.00 3.85 C ATOM 0 H PHE A 121 11.998 -6.296 -6.588 1.00 0.48 H new ATOM 0 HA PHE A 121 10.246 -4.814 -8.421 1.00 0.57 H new ATOM 0 HB2 PHE A 121 11.612 -7.028 -8.794 1.00 0.68 H new ATOM 0 HB3 PHE A 121 10.314 -7.814 -7.916 1.00 0.68 H new ATOM 0 HD1 PHE A 121 7.946 -7.654 -8.775 1.00 2.33 H new ATOM 0 HD2 PHE A 121 11.302 -6.249 -11.055 1.00 2.32 H new ATOM 0 HE1 PHE A 121 6.555 -7.669 -10.826 1.00 3.43 H new ATOM 0 HE2 PHE A 121 9.911 -6.265 -13.110 1.00 3.44 H new ATOM 0 HZ PHE A 121 7.537 -6.975 -12.996 1.00 3.85 H new ATOM 1072 N PRO A 122 7.939 -5.105 -7.337 1.00 0.64 N ATOM 1073 CA PRO A 122 6.633 -5.160 -6.609 1.00 0.67 C ATOM 1074 C PRO A 122 5.852 -6.455 -6.875 1.00 0.73 C ATOM 1075 O PRO A 122 4.651 -6.442 -7.066 1.00 1.19 O ATOM 1076 CB PRO A 122 5.879 -3.943 -7.157 1.00 0.80 C ATOM 1077 CG PRO A 122 6.377 -3.805 -8.558 1.00 1.05 C ATOM 1078 CD PRO A 122 7.852 -4.221 -8.520 1.00 0.87 C ATOM 0 HA PRO A 122 6.769 -5.146 -5.528 1.00 0.67 H new ATOM 0 HB2 PRO A 122 4.800 -4.098 -7.131 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.087 -3.048 -6.570 1.00 0.80 H new ATOM 0 HG2 PRO A 122 5.809 -4.439 -9.239 1.00 1.05 H new ATOM 0 HG3 PRO A 122 6.269 -2.780 -8.912 1.00 1.05 H new ATOM 0 HD2 PRO A 122 8.144 -4.743 -9.431 1.00 0.87 H new ATOM 0 HD3 PRO A 122 8.509 -3.357 -8.423 1.00 0.87 H new ATOM 1086 N ASP A 123 6.519 -7.573 -6.872 1.00 0.56 N ATOM 1087 CA ASP A 123 5.816 -8.868 -7.102 1.00 0.64 C ATOM 1088 C ASP A 123 5.281 -9.357 -5.761 1.00 0.58 C ATOM 1089 O ASP A 123 5.071 -10.536 -5.550 1.00 0.65 O ATOM 1090 CB ASP A 123 6.804 -9.893 -7.672 1.00 0.74 C ATOM 1091 CG ASP A 123 8.168 -9.707 -7.006 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.215 -9.068 -5.967 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.142 -10.205 -7.544 1.00 1.38 O ATOM 0 H ASP A 123 7.525 -7.648 -6.720 1.00 0.56 H new ATOM 0 HA ASP A 123 4.998 -8.739 -7.811 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.437 -10.904 -7.498 1.00 0.74 H new ATOM 0 HB3 ASP A 123 6.893 -9.767 -8.751 1.00 0.74 H new ATOM 1098 N TRP A 124 5.080 -8.447 -4.843 1.00 0.53 N ATOM 1099 CA TRP A 124 4.580 -8.815 -3.485 1.00 0.52 C ATOM 1100 C TRP A 124 3.382 -7.947 -3.126 1.00 0.51 C ATOM 1101 O TRP A 124 2.549 -8.309 -2.320 1.00 0.55 O ATOM 1102 CB TRP A 124 5.699 -8.561 -2.479 1.00 0.49 C ATOM 1103 CG TRP A 124 6.149 -7.140 -2.615 1.00 0.43 C ATOM 1104 CD1 TRP A 124 7.214 -6.720 -3.339 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.550 -5.944 -2.042 1.00 0.42 C ATOM 1106 NE1 TRP A 124 7.314 -5.345 -3.232 1.00 0.42 N ATOM 1107 CE2 TRP A 124 6.309 -4.820 -2.446 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.436 -5.728 -1.215 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.972 -3.527 -2.043 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 4.092 -4.431 -0.809 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.859 -3.331 -1.222 1.00 0.55 C ATOM 0 H TRP A 124 5.244 -7.450 -4.980 1.00 0.53 H new ATOM 0 HA TRP A 124 4.280 -9.863 -3.470 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.347 -8.751 -1.465 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.532 -9.241 -2.660 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.877 -7.356 -3.907 1.00 0.44 H new ATOM 0 HE1 TRP A 124 8.042 -4.787 -3.679 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.840 -6.567 -0.889 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 6.567 -2.685 -2.363 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 3.232 -4.278 -0.175 1.00 0.58 H new ATOM 0 HH2 TRP A 124 4.589 -2.334 -0.906 1.00 0.55 H new ATOM 1122 N GLN A 125 3.303 -6.804 -3.719 1.00 0.53 N ATOM 1123 CA GLN A 125 2.167 -5.882 -3.425 1.00 0.60 C ATOM 1124 C GLN A 125 0.908 -6.358 -4.152 1.00 0.66 C ATOM 1125 O GLN A 125 0.727 -6.111 -5.328 1.00 0.84 O ATOM 1126 CB GLN A 125 2.520 -4.464 -3.883 1.00 0.69 C ATOM 1127 CG GLN A 125 1.483 -3.480 -3.332 1.00 1.56 C ATOM 1128 CD GLN A 125 1.925 -2.047 -3.631 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.035 -1.664 -3.319 1.00 2.78 O ATOM 1130 NE2 GLN A 125 1.097 -1.233 -4.227 1.00 2.82 N ATOM 0 H GLN A 125 3.976 -6.457 -4.402 1.00 0.53 H new ATOM 0 HA GLN A 125 1.980 -5.879 -2.351 1.00 0.60 H new ATOM 0 HB2 GLN A 125 3.516 -4.194 -3.533 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.541 -4.416 -4.972 1.00 0.69 H new ATOM 0 HG2 GLN A 125 0.509 -3.672 -3.783 1.00 1.56 H new ATOM 0 HG3 GLN A 125 1.370 -3.619 -2.257 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.165 -1.555 -4.489 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.382 -0.275 -4.431 1.00 2.82 H new ATOM 1139 N ASN A 126 0.032 -7.034 -3.457 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.222 -7.522 -4.098 1.00 0.72 C ATOM 1141 C ASN A 126 -2.300 -7.682 -3.023 1.00 0.69 C ATOM 1142 O ASN A 126 -2.054 -7.467 -1.853 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.956 -8.869 -4.775 1.00 0.84 C ATOM 1144 CG ASN A 126 0.317 -8.771 -5.619 1.00 0.89 C ATOM 1145 OD1 ASN A 126 0.337 -8.104 -6.635 1.00 1.53 O ATOM 1146 ND2 ASN A 126 1.389 -9.410 -5.238 1.00 0.88 N ATOM 0 H ASN A 126 0.132 -7.269 -2.470 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.560 -6.807 -4.848 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.848 -9.651 -4.024 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.802 -9.146 -5.404 1.00 0.84 H new ATOM 0 HD21 ASN A 126 2.243 -9.350 -5.793 1.00 0.88 H new ATOM 0 HD22 ASN A 126 1.373 -9.970 -4.386 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.497 -8.047 -3.401 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.589 -8.201 -2.389 1.00 0.61 C ATOM 1155 C TYR A 127 -5.716 -9.048 -2.986 1.00 0.63 C ATOM 1156 O TYR A 127 -5.719 -9.354 -4.162 1.00 0.75 O ATOM 1157 CB TYR A 127 -5.162 -6.819 -2.001 1.00 0.65 C ATOM 1158 CG TYR A 127 -4.068 -5.777 -1.947 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.639 -5.153 -3.125 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.484 -5.437 -0.723 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.626 -4.188 -3.078 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.470 -4.471 -0.674 1.00 1.19 C ATOM 1163 CZ TYR A 127 -2.041 -3.847 -1.852 1.00 1.23 C ATOM 1164 OH TYR A 127 -1.043 -2.895 -1.804 1.00 1.48 O ATOM 0 H TYR A 127 -3.767 -8.245 -4.364 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.178 -8.684 -1.502 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.920 -6.519 -2.725 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.655 -6.885 -1.031 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.090 -5.416 -4.070 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.815 -5.919 0.185 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.296 -3.707 -3.987 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -2.020 -4.208 0.272 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.748 -2.777 -0.877 1.00 1.48 H new ATOM 1174 N THR A 128 -6.675 -9.430 -2.185 1.00 0.62 N ATOM 1175 CA THR A 128 -7.795 -10.255 -2.714 1.00 0.68 C ATOM 1176 C THR A 128 -8.600 -9.424 -3.726 1.00 0.75 C ATOM 1177 O THR A 128 -8.723 -8.224 -3.576 1.00 0.97 O ATOM 1178 CB THR A 128 -8.708 -10.676 -1.560 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.273 -9.520 -0.959 1.00 1.22 O ATOM 1180 CG2 THR A 128 -7.894 -11.449 -0.523 1.00 0.90 C ATOM 0 H THR A 128 -6.730 -9.206 -1.191 1.00 0.62 H new ATOM 0 HA THR A 128 -7.396 -11.144 -3.203 1.00 0.68 H new ATOM 0 HB THR A 128 -9.507 -11.313 -1.940 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.859 -9.788 -0.221 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.544 -11.749 0.299 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.462 -12.336 -0.987 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.095 -10.814 -0.141 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.846 -5.059 2.186 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.944 -5.750 1.218 1.00 0.49 C ATOM 1251 C ARG A 134 -7.726 -6.303 1.977 1.00 0.40 C ATOM 1252 O ARG A 134 -6.880 -5.558 2.437 1.00 0.38 O ATOM 1253 CB ARG A 134 -8.504 -4.743 0.127 1.00 0.58 C ATOM 1254 CG ARG A 134 -8.591 -5.383 -1.269 1.00 1.06 C ATOM 1255 CD ARG A 134 -8.345 -4.317 -2.336 1.00 1.37 C ATOM 1256 NE ARG A 134 -8.510 -4.920 -3.688 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.665 -4.152 -4.730 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.688 -2.854 -4.588 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -8.802 -4.680 -5.915 1.00 3.36 N ATOM 0 HA ARG A 134 -9.463 -6.579 0.737 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -9.137 -3.857 0.166 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -7.483 -4.414 0.319 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.855 -6.181 -1.361 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -9.572 -5.836 -1.412 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -9.044 -3.490 -2.207 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -7.341 -3.906 -2.230 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.502 -5.934 -3.799 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -8.585 -2.440 -3.661 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.809 -2.254 -5.404 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -8.788 -5.694 -6.026 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -8.923 -4.079 -6.730 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.645 -7.603 2.114 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.498 -8.221 2.848 1.00 0.39 C ATOM 1275 C TYR A 135 -5.318 -8.431 1.884 1.00 0.36 C ATOM 1276 O TYR A 135 -5.516 -8.641 0.705 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.934 -9.585 3.396 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.000 -9.405 4.451 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -7.638 -9.244 5.793 1.00 0.66 C ATOM 1280 CD2 TYR A 135 -9.352 -9.411 4.086 1.00 0.72 C ATOM 1281 CE1 TYR A 135 -8.628 -9.086 6.770 1.00 0.85 C ATOM 1282 CE2 TYR A 135 -10.342 -9.256 5.064 1.00 0.91 C ATOM 1283 CZ TYR A 135 -9.980 -9.092 6.406 1.00 0.92 C ATOM 1284 OH TYR A 135 -10.956 -8.940 7.371 1.00 1.17 O ATOM 0 H TYR A 135 -8.328 -8.266 1.747 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.193 -7.564 3.663 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -7.315 -10.206 2.585 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.076 -10.106 3.820 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -6.595 -9.242 6.075 1.00 0.66 H new ATOM 0 HD2 TYR A 135 -9.631 -9.535 3.050 1.00 0.72 H new ATOM 0 HE1 TYR A 135 -8.349 -8.959 7.806 1.00 0.85 H new ATOM 0 HE2 TYR A 135 -11.385 -9.263 4.783 1.00 0.91 H new ATOM 0 HH TYR A 135 -11.840 -8.966 6.949 1.00 1.17 H new ATOM 1294 N PRO A 136 -4.097 -8.405 2.377 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.891 -8.629 1.525 1.00 0.38 C ATOM 1296 C PRO A 136 -2.723 -10.116 1.195 1.00 0.37 C ATOM 1297 O PRO A 136 -2.828 -10.963 2.059 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.738 -8.128 2.401 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.203 -8.371 3.800 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.720 -8.158 3.784 1.00 0.44 C ATOM 0 HA PRO A 136 -2.948 -8.117 0.564 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.815 -8.667 2.190 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.537 -7.071 2.227 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.954 -9.382 4.124 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.720 -7.685 4.496 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.227 -8.846 4.461 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.985 -7.148 4.098 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.477 -10.445 -0.042 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.322 -11.885 -0.399 1.00 0.43 C ATOM 1310 C LEU A 137 -1.121 -12.478 0.348 1.00 0.41 C ATOM 1311 O LEU A 137 -1.280 -13.297 1.232 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.125 -12.025 -1.921 1.00 0.51 C ATOM 1313 CG LEU A 137 -3.496 -12.096 -2.631 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -3.342 -11.669 -4.091 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.048 -13.529 -2.591 1.00 0.92 C ATOM 0 H LEU A 137 -2.377 -9.788 -0.815 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.221 -12.428 -0.108 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.554 -11.178 -2.301 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -1.547 -12.923 -2.139 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.186 -11.429 -2.115 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -4.310 -11.720 -4.589 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -2.966 -10.647 -4.133 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -2.640 -12.335 -4.593 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.014 -13.561 -3.095 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -3.353 -14.201 -3.095 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.169 -13.843 -1.554 1.00 0.92 H new ATOM 1327 N THR A 138 0.076 -12.087 0.004 1.00 0.50 N ATOM 1328 CA THR A 138 1.257 -12.661 0.710 1.00 0.55 C ATOM 1329 C THR A 138 1.260 -12.219 2.166 1.00 0.47 C ATOM 1330 O THR A 138 0.416 -11.469 2.617 1.00 0.50 O ATOM 1331 CB THR A 138 2.570 -12.218 0.051 1.00 0.73 C ATOM 1332 OG1 THR A 138 3.593 -12.109 1.033 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.377 -10.867 -0.623 1.00 1.04 C ATOM 0 H THR A 138 0.286 -11.405 -0.725 1.00 0.50 H new ATOM 0 HA THR A 138 1.183 -13.747 0.649 1.00 0.55 H new ATOM 0 HB THR A 138 2.859 -12.960 -0.693 1.00 0.73 H new ATOM 0 HG1 THR A 138 4.428 -11.827 0.605 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.312 -10.556 -1.090 1.00 1.04 H new ATOM 0 HG22 THR A 138 1.601 -10.948 -1.384 1.00 1.04 H new ATOM 0 HG23 THR A 138 2.080 -10.128 0.121 1.00 1.04 H new ATOM 1341 N PHE A 139 2.219 -12.697 2.892 1.00 0.51 N ATOM 1342 CA PHE A 139 2.343 -12.350 4.342 1.00 0.49 C ATOM 1343 C PHE A 139 3.446 -11.308 4.547 1.00 0.65 C ATOM 1344 O PHE A 139 4.287 -11.098 3.697 1.00 1.43 O ATOM 1345 CB PHE A 139 2.697 -13.617 5.127 1.00 0.52 C ATOM 1346 CG PHE A 139 2.711 -13.315 6.611 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.526 -12.948 7.262 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.907 -13.406 7.338 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.536 -12.674 8.635 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.916 -13.131 8.710 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.731 -12.765 9.359 1.00 0.66 C ATOM 0 H PHE A 139 2.941 -13.327 2.543 1.00 0.51 H new ATOM 0 HA PHE A 139 1.397 -11.938 4.694 1.00 0.49 H new ATOM 0 HB2 PHE A 139 1.972 -14.402 4.913 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.672 -13.989 4.813 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.604 -12.876 6.704 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.822 -13.689 6.838 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.622 -12.392 9.136 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.838 -13.201 9.268 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.738 -12.553 10.418 1.00 0.66 H new ATOM 1361 N GLY A 140 3.457 -10.668 5.688 1.00 0.46 N ATOM 1362 CA GLY A 140 4.515 -9.657 5.986 1.00 0.43 C ATOM 1363 C GLY A 140 3.994 -8.250 5.700 1.00 0.35 C ATOM 1364 O GLY A 140 4.223 -7.327 6.455 1.00 0.32 O ATOM 0 H GLY A 140 2.772 -10.804 6.432 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.819 -9.735 7.030 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.399 -9.856 5.380 1.00 0.43 H new ATOM 1368 N TRP A 141 3.299 -8.077 4.614 1.00 0.34 N ATOM 1369 CA TRP A 141 2.768 -6.723 4.282 1.00 0.29 C ATOM 1370 C TRP A 141 1.546 -6.448 5.153 1.00 0.32 C ATOM 1371 O TRP A 141 0.442 -6.859 4.857 1.00 0.40 O ATOM 1372 CB TRP A 141 2.417 -6.671 2.790 1.00 0.33 C ATOM 1373 CG TRP A 141 2.165 -5.262 2.331 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.069 -4.884 1.631 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.983 -4.049 2.489 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.153 -3.535 1.351 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.306 -2.974 1.859 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.226 -3.767 3.108 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.829 -1.682 1.839 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.751 -2.463 3.087 1.00 0.31 C ATOM 1381 CH2 TRP A 141 4.055 -1.425 2.455 1.00 0.33 C ATOM 0 H TRP A 141 3.074 -8.810 3.942 1.00 0.34 H new ATOM 0 HA TRP A 141 3.515 -5.954 4.481 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.231 -7.104 2.209 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.532 -7.279 2.602 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.258 -5.535 1.338 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.447 -3.015 0.830 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.773 -4.558 3.599 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.289 -0.885 1.350 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.699 -2.260 3.562 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.466 -0.427 2.444 1.00 0.33 H new ATOM 1392 N CYS A 142 1.758 -5.772 6.248 1.00 0.31 N ATOM 1393 CA CYS A 142 0.644 -5.477 7.188 1.00 0.40 C ATOM 1394 C CYS A 142 -0.150 -4.257 6.729 1.00 0.39 C ATOM 1395 O CYS A 142 -0.462 -3.386 7.518 1.00 0.48 O ATOM 1396 CB CYS A 142 1.232 -5.194 8.558 1.00 0.47 C ATOM 1397 SG CYS A 142 2.274 -6.583 9.070 1.00 1.45 S ATOM 0 H CYS A 142 2.667 -5.408 6.533 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.028 -6.335 7.221 1.00 0.40 H new ATOM 0 HB2 CYS A 142 1.820 -4.276 8.530 1.00 0.47 H new ATOM 0 HB3 CYS A 142 0.433 -5.039 9.283 1.00 0.47 H new ATOM 0 HG CYS A 142 3.043 -6.936 8.083 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.481 -4.185 5.471 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.261 -3.015 4.953 1.00 0.40 C ATOM 1405 C TYR A 143 -2.547 -3.522 4.295 1.00 0.43 C ATOM 1406 O TYR A 143 -2.512 -4.243 3.317 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.401 -2.264 3.919 1.00 0.55 C ATOM 1408 CG TYR A 143 0.348 -1.132 4.584 1.00 1.43 C ATOM 1409 CD1 TYR A 143 1.610 -1.353 5.146 1.00 2.17 C ATOM 1410 CD2 TYR A 143 -0.228 0.141 4.635 1.00 2.16 C ATOM 1411 CE1 TYR A 143 2.296 -0.299 5.759 1.00 3.14 C ATOM 1412 CE2 TYR A 143 0.456 1.195 5.247 1.00 3.14 C ATOM 1413 CZ TYR A 143 1.718 0.976 5.809 1.00 3.52 C ATOM 1414 OH TYR A 143 2.393 2.017 6.414 1.00 4.57 O ATOM 0 H TYR A 143 -0.246 -4.888 4.771 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.519 -2.340 5.769 1.00 0.40 H new ATOM 0 HB2 TYR A 143 0.305 -2.952 3.454 1.00 0.55 H new ATOM 0 HB3 TYR A 143 -1.035 -1.872 3.124 1.00 0.55 H new ATOM 0 HD1 TYR A 143 2.054 -2.337 5.107 1.00 2.17 H new ATOM 0 HD2 TYR A 143 -1.202 0.310 4.201 1.00 2.16 H new ATOM 0 HE1 TYR A 143 3.270 -0.468 6.193 1.00 3.14 H new ATOM 0 HE2 TYR A 143 0.010 2.178 5.286 1.00 3.14 H new ATOM 0 HH TYR A 143 1.852 2.832 6.361 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.682 -3.141 4.827 1.00 0.39 N ATOM 1425 CA LYS A 144 -4.988 -3.580 4.247 1.00 0.51 C ATOM 1426 C LYS A 144 -5.875 -2.353 4.030 1.00 0.43 C ATOM 1427 O LYS A 144 -5.986 -1.494 4.882 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.670 -4.548 5.217 1.00 0.70 C ATOM 1429 CG LYS A 144 -5.652 -3.974 6.638 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.414 -4.908 7.597 1.00 1.24 C ATOM 1431 CE LYS A 144 -5.488 -6.022 8.096 1.00 1.57 C ATOM 1432 NZ LYS A 144 -6.248 -6.930 9.001 1.00 2.32 N ATOM 0 H LYS A 144 -3.760 -2.539 5.646 1.00 0.39 H new ATOM 0 HA LYS A 144 -4.823 -4.082 3.294 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -6.698 -4.726 4.902 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -5.160 -5.511 5.200 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -4.623 -3.854 6.977 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -6.108 -2.984 6.644 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -6.798 -4.338 8.443 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.275 -5.341 7.087 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -5.089 -6.583 7.251 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -4.637 -5.593 8.625 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -5.620 -7.687 9.340 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -6.609 -6.389 9.813 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -7.046 -7.349 8.482 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.500 -2.256 2.890 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.373 -1.077 2.624 1.00 0.37 C ATOM 1448 C LEU A 145 -8.710 -1.270 3.342 1.00 0.38 C ATOM 1449 O LEU A 145 -9.102 -2.378 3.638 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.606 -0.936 1.113 1.00 0.42 C ATOM 1451 CG LEU A 145 -6.296 -0.516 0.409 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -6.332 -0.966 -1.055 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -6.130 1.011 0.449 1.00 0.52 C ATOM 0 H LEU A 145 -6.445 -2.938 2.134 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.890 -0.172 2.993 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.961 -1.881 0.703 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.383 -0.195 0.925 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.460 -0.985 0.928 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -5.407 -0.669 -1.550 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -6.435 -2.050 -1.100 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -7.179 -0.500 -1.558 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -5.202 1.289 -0.051 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.972 1.482 -0.059 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -6.098 1.346 1.486 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.410 -0.200 3.628 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.719 -0.319 4.342 1.00 0.50 C ATOM 1467 C VAL A 146 -11.558 0.944 4.058 1.00 0.59 C ATOM 1468 O VAL A 146 -11.068 2.048 4.206 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.467 -0.394 5.863 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -11.801 -0.474 6.617 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.636 -1.633 6.213 1.00 0.56 C ATOM 0 H VAL A 146 -9.130 0.753 3.397 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.240 -1.214 4.001 1.00 0.50 H new ATOM 0 HB VAL A 146 -9.924 0.505 6.157 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -11.610 -0.527 7.689 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.397 0.412 6.397 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.345 -1.364 6.301 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.470 -1.667 7.290 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.170 -2.530 5.900 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.676 -1.584 5.699 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.816 0.806 3.674 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.694 1.983 3.409 1.00 0.81 C ATOM 1483 C PRO A 147 -14.267 2.565 4.707 1.00 0.91 C ATOM 1484 O PRO A 147 -15.253 2.085 5.224 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.816 1.395 2.550 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.952 -0.013 3.031 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.541 -0.462 3.435 1.00 0.75 C ATOM 0 HA PRO A 147 -13.158 2.803 2.931 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.746 1.950 2.676 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -14.565 1.430 1.490 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.637 -0.072 3.877 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -15.356 -0.655 2.248 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.561 -1.085 4.329 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -13.069 -1.050 2.648 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.655 4.298 -0.938 1.00 0.58 N ATOM 1781 CA LEU A 181 -10.273 3.555 0.317 1.00 0.52 C ATOM 1782 C LEU A 181 -9.003 4.144 0.936 1.00 0.47 C ATOM 1783 O LEU A 181 -8.239 4.821 0.282 1.00 0.51 O ATOM 1784 CB LEU A 181 -10.012 2.085 -0.020 1.00 0.60 C ATOM 1785 CG LEU A 181 -11.162 1.516 -0.862 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -10.801 0.102 -1.323 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -12.440 1.460 -0.019 1.00 0.87 C ATOM 0 HA LEU A 181 -11.093 3.646 1.029 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -9.073 1.992 -0.565 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.906 1.508 0.899 1.00 0.60 H new ATOM 0 HG LEU A 181 -11.326 2.157 -1.729 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -11.616 -0.305 -1.921 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -9.892 0.136 -1.923 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -10.637 -0.534 -0.453 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -13.255 1.056 -0.620 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -12.276 0.820 0.848 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.700 2.464 0.315 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.770 3.866 2.201 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.538 4.368 2.893 1.00 0.45 C ATOM 1801 C GLU A 182 -6.666 3.199 3.342 1.00 0.42 C ATOM 1802 O GLU A 182 -7.146 2.149 3.720 1.00 0.43 O ATOM 1803 CB GLU A 182 -7.925 5.202 4.118 1.00 0.49 C ATOM 1804 CG GLU A 182 -8.819 4.377 5.055 1.00 0.56 C ATOM 1805 CD GLU A 182 -7.961 3.422 5.892 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -6.864 3.809 6.259 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -8.418 2.321 6.152 1.00 1.62 O ATOM 0 H GLU A 182 -9.389 3.307 2.788 1.00 0.45 H new ATOM 0 HA GLU A 182 -6.979 4.986 2.190 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.028 5.523 4.647 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.449 6.104 3.803 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.384 5.041 5.710 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -9.545 3.810 4.472 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.375 3.398 3.312 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.425 2.336 3.741 1.00 0.38 C ATOM 1816 C TRP A 183 -4.461 2.232 5.271 1.00 0.37 C ATOM 1817 O TRP A 183 -4.073 3.149 5.966 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.004 2.732 3.297 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.691 2.204 1.930 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.525 0.899 1.613 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.474 2.954 0.701 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.214 0.802 0.268 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.172 2.041 -0.338 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.508 4.325 0.390 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -1.910 2.474 -1.637 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.245 4.763 -0.919 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -1.943 3.839 -1.929 1.00 0.41 C ATOM 0 H TRP A 183 -4.935 4.265 3.004 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.701 1.380 3.295 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -2.910 3.818 3.300 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.277 2.347 4.012 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.620 0.069 2.298 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.037 -0.078 -0.216 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -2.737 5.045 1.161 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.683 1.758 -2.413 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.276 5.818 -1.148 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -1.736 4.183 -2.932 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.909 1.124 5.803 1.00 0.35 N ATOM 1839 CA ARG A 184 -4.950 0.966 7.291 1.00 0.35 C ATOM 1840 C ARG A 184 -3.722 0.175 7.744 1.00 0.31 C ATOM 1841 O ARG A 184 -3.672 -1.036 7.643 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.224 0.215 7.692 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.472 0.365 9.197 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.874 -0.147 9.531 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.118 -0.022 10.996 1.00 1.57 N ATOM 1846 CZ ARG A 184 -9.336 -0.096 11.461 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -10.336 -0.273 10.642 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -9.553 0.007 12.743 1.00 2.61 N ATOM 0 H ARG A 184 -5.248 0.321 5.273 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.949 1.947 7.766 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.076 0.605 7.135 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.130 -0.840 7.434 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.724 -0.195 9.758 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.374 1.410 9.491 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.621 0.423 8.978 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.975 -1.188 9.223 1.00 1.51 H new ATOM 0 HE ARG A 184 -7.335 0.121 11.634 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -10.166 -0.353 9.639 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -11.288 -0.331 11.004 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.771 0.145 13.383 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -10.505 -0.051 13.105 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.727 0.860 8.234 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.485 0.172 8.693 1.00 0.31 C ATOM 1864 C PHE A 185 -1.787 -0.650 9.956 1.00 0.31 C ATOM 1865 O PHE A 185 -2.483 -0.205 10.849 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.423 1.247 8.985 1.00 0.40 C ATOM 1867 CG PHE A 185 0.662 0.724 9.902 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.465 0.728 11.289 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.869 0.256 9.368 1.00 0.62 C ATOM 1870 CE1 PHE A 185 1.472 0.263 12.141 1.00 0.75 C ATOM 1871 CE2 PHE A 185 2.879 -0.208 10.222 1.00 0.74 C ATOM 1872 CZ PHE A 185 2.680 -0.205 11.608 1.00 0.71 C ATOM 0 H PHE A 185 -2.720 1.875 8.338 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.116 -0.509 7.926 1.00 0.31 H new ATOM 0 HB2 PHE A 185 0.022 1.583 8.049 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.899 2.115 9.442 1.00 0.40 H new ATOM 0 HD1 PHE A 185 -0.465 1.090 11.701 1.00 0.65 H new ATOM 0 HD2 PHE A 185 2.022 0.253 8.299 1.00 0.62 H new ATOM 0 HE1 PHE A 185 1.318 0.265 13.210 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.811 -0.568 9.811 1.00 0.74 H new ATOM 0 HZ PHE A 185 3.458 -0.563 12.266 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.273 -1.851 10.029 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.527 -2.713 11.216 1.00 0.32 C ATOM 1884 C ASP A 186 -0.375 -3.713 11.377 1.00 0.30 C ATOM 1885 O ASP A 186 -0.573 -4.910 11.313 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.832 -3.469 10.981 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.359 -4.035 12.303 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.981 -3.521 13.343 1.00 1.23 O ATOM 1889 OD2 ASP A 186 -4.133 -4.976 12.253 1.00 1.16 O ATOM 0 H ASP A 186 -0.684 -2.272 9.310 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.598 -2.107 12.119 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.573 -2.802 10.541 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.669 -4.278 10.269 1.00 0.37 H new ATOM 1894 N SER A 187 0.825 -3.222 11.581 1.00 0.33 N ATOM 1895 CA SER A 187 2.010 -4.125 11.742 1.00 0.34 C ATOM 1896 C SER A 187 1.657 -5.320 12.635 1.00 0.35 C ATOM 1897 O SER A 187 2.369 -6.304 12.674 1.00 0.37 O ATOM 1898 CB SER A 187 3.156 -3.342 12.387 1.00 0.40 C ATOM 1899 OG SER A 187 4.028 -4.248 13.050 1.00 1.32 O ATOM 0 H SER A 187 1.036 -2.226 11.643 1.00 0.33 H new ATOM 0 HA SER A 187 2.308 -4.492 10.760 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.703 -2.783 11.628 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.761 -2.614 13.096 1.00 0.40 H new ATOM 0 HG SER A 187 4.744 -3.747 13.494 1.00 1.32 H new ATOM 1905 N ARG A 188 0.566 -5.253 13.348 1.00 0.40 N ATOM 1906 CA ARG A 188 0.184 -6.396 14.223 1.00 0.46 C ATOM 1907 C ARG A 188 -0.023 -7.633 13.348 1.00 0.42 C ATOM 1908 O ARG A 188 0.247 -8.746 13.754 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.118 -6.059 14.953 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.456 -7.169 15.949 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.783 -6.845 16.639 1.00 1.75 C ATOM 1912 NE ARG A 188 -2.764 -5.431 17.114 1.00 2.37 N ATOM 1913 CZ ARG A 188 -3.876 -4.840 17.456 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -5.009 -5.483 17.383 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -3.856 -3.603 17.871 1.00 3.87 N ATOM 0 H ARG A 188 -0.075 -4.459 13.362 1.00 0.40 H new ATOM 0 HA ARG A 188 0.968 -6.588 14.956 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -1.017 -5.108 15.475 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.929 -5.943 14.234 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -1.526 -8.127 15.433 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.662 -7.263 16.689 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -3.611 -6.996 15.947 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -2.942 -7.520 17.480 1.00 1.75 H new ATOM 0 HE ARG A 188 -1.880 -4.925 17.172 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -5.027 -6.450 17.058 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.877 -5.019 17.651 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -2.971 -3.098 17.928 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -4.725 -3.141 18.138 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.482 -7.443 12.141 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.688 -8.600 11.229 1.00 0.46 C ATOM 1931 C LEU A 189 0.663 -9.267 10.968 1.00 0.41 C ATOM 1932 O LEU A 189 0.753 -10.273 10.292 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.302 -8.106 9.908 1.00 0.57 C ATOM 1934 CG LEU A 189 -1.476 -9.288 8.910 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -2.815 -9.159 8.167 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -0.329 -9.293 7.879 1.00 1.78 C ATOM 0 H LEU A 189 -0.723 -6.533 11.748 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.367 -9.322 11.683 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -2.269 -7.641 10.101 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.663 -7.341 9.467 1.00 0.57 H new ATOM 0 HG LEU A 189 -1.458 -10.219 9.476 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -2.927 -9.991 7.471 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -3.633 -9.175 8.887 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.836 -8.219 7.615 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -0.464 -10.125 7.188 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -0.335 -8.355 7.323 1.00 1.78 H new ATOM 0 HD23 LEU A 189 0.624 -9.402 8.396 1.00 1.78 H new ATOM 1948 N ALA A 190 1.715 -8.719 11.516 1.00 0.37 N ATOM 1949 CA ALA A 190 3.062 -9.322 11.314 1.00 0.42 C ATOM 1950 C ALA A 190 3.141 -10.613 12.124 1.00 0.44 C ATOM 1951 O ALA A 190 4.108 -11.348 12.057 1.00 0.53 O ATOM 1952 CB ALA A 190 4.134 -8.348 11.807 1.00 0.47 C ATOM 0 H ALA A 190 1.698 -7.879 12.095 1.00 0.37 H new ATOM 0 HA ALA A 190 3.224 -9.531 10.257 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.120 -8.788 11.660 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.065 -7.416 11.246 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.982 -8.145 12.867 1.00 0.47 H new ATOM 1958 N PHE A 191 2.118 -10.894 12.889 1.00 0.42 N ATOM 1959 CA PHE A 191 2.098 -12.138 13.716 1.00 0.51 C ATOM 1960 C PHE A 191 0.703 -12.766 13.636 1.00 0.56 C ATOM 1961 O PHE A 191 0.301 -13.523 14.497 1.00 0.96 O ATOM 1962 CB PHE A 191 2.416 -11.789 15.172 1.00 0.58 C ATOM 1963 CG PHE A 191 3.708 -11.003 15.233 1.00 1.14 C ATOM 1964 CD1 PHE A 191 4.914 -11.616 14.870 1.00 1.81 C ATOM 1965 CD2 PHE A 191 3.701 -9.664 15.650 1.00 1.98 C ATOM 1966 CE1 PHE A 191 6.113 -10.892 14.925 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.899 -8.942 15.705 1.00 2.87 C ATOM 1968 CZ PHE A 191 6.105 -9.555 15.342 1.00 3.15 C ATOM 0 H PHE A 191 1.287 -10.309 12.977 1.00 0.42 H new ATOM 0 HA PHE A 191 2.843 -12.841 13.343 1.00 0.51 H new ATOM 0 HB2 PHE A 191 1.602 -11.206 15.603 1.00 0.58 H new ATOM 0 HB3 PHE A 191 2.504 -12.700 15.764 1.00 0.58 H new ATOM 0 HD1 PHE A 191 4.920 -12.647 14.548 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.771 -9.190 15.929 1.00 1.98 H new ATOM 0 HE1 PHE A 191 7.043 -11.365 14.646 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.893 -7.911 16.028 1.00 2.87 H new ATOM 0 HZ PHE A 191 7.029 -8.997 15.384 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.037 -12.452 12.606 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.408 -13.022 12.462 1.00 0.72 C ATOM 1980 C HIS A 192 -1.801 -13.031 10.983 1.00 0.67 C ATOM 1981 O HIS A 192 -2.441 -12.121 10.496 1.00 1.26 O ATOM 1982 CB HIS A 192 -2.400 -12.160 13.247 1.00 1.01 C ATOM 1983 CG HIS A 192 -3.735 -12.850 13.306 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -3.998 -14.017 12.604 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -4.893 -12.550 13.980 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.269 -14.372 12.871 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -5.860 -13.512 13.704 1.00 3.35 N ATOM 0 H HIS A 192 0.250 -11.823 11.856 1.00 0.64 H new ATOM 0 HA HIS A 192 -1.423 -14.041 12.849 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -2.026 -11.985 14.256 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -2.505 -11.185 12.772 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.032 -11.696 14.627 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -5.752 -15.247 12.461 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -6.815 -13.552 14.061 1.00 3.35 H new ATOM 1995 N HIS A 193 -1.419 -14.052 10.266 1.00 0.77 N ATOM 1996 CA HIS A 193 -1.769 -14.118 8.819 1.00 0.85 C ATOM 1997 C HIS A 193 -3.279 -14.335 8.672 1.00 0.74 C ATOM 1998 O HIS A 193 -3.776 -15.432 8.825 1.00 0.78 O ATOM 1999 CB HIS A 193 -1.008 -15.277 8.166 1.00 1.28 C ATOM 2000 CG HIS A 193 -0.950 -16.437 9.124 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -2.092 -17.063 9.597 1.00 2.84 N ATOM 2002 CD2 HIS A 193 0.106 -17.092 9.708 1.00 2.99 C ATOM 2003 CE1 HIS A 193 -1.701 -18.047 10.428 1.00 3.75 C ATOM 2004 NE2 HIS A 193 -0.371 -18.107 10.532 1.00 3.87 N ATOM 0 H HIS A 193 -0.880 -14.843 10.619 1.00 0.77 H new ATOM 0 HA HIS A 193 -1.492 -13.185 8.328 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.503 -15.578 7.243 1.00 1.28 H new ATOM 0 HB3 HIS A 193 0.000 -14.960 7.899 1.00 1.28 H new ATOM 0 HD1 HIS A 193 -3.054 -16.822 9.359 1.00 2.84 H new ATOM 0 HD2 HIS A 193 1.148 -16.856 9.552 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -2.380 -18.707 10.947 1.00 3.75 H new ATOM 2012 N MET A 194 -4.010 -13.295 8.376 1.00 0.73 N ATOM 2013 CA MET A 194 -5.485 -13.437 8.221 1.00 0.79 C ATOM 2014 C MET A 194 -5.800 -14.028 6.845 1.00 0.75 C ATOM 2015 O MET A 194 -6.664 -14.869 6.704 1.00 0.90 O ATOM 2016 CB MET A 194 -6.145 -12.062 8.349 1.00 0.91 C ATOM 2017 CG MET A 194 -5.941 -11.527 9.768 1.00 1.47 C ATOM 2018 SD MET A 194 -6.914 -12.521 10.933 1.00 2.35 S ATOM 2019 CE MET A 194 -8.147 -11.268 11.371 1.00 2.94 C ATOM 0 H MET A 194 -3.648 -12.352 8.235 1.00 0.73 H new ATOM 0 HA MET A 194 -5.870 -14.099 8.997 1.00 0.79 H new ATOM 0 HB2 MET A 194 -5.715 -11.372 7.623 1.00 0.91 H new ATOM 0 HB3 MET A 194 -7.209 -12.136 8.126 1.00 0.91 H new ATOM 0 HG2 MET A 194 -4.885 -11.565 10.034 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.246 -10.482 9.822 1.00 1.47 H new ATOM 0 HE1 MET A 194 -8.851 -11.686 12.090 1.00 2.94 H new ATOM 0 HE2 MET A 194 -7.648 -10.405 11.812 1.00 2.94 H new ATOM 0 HE3 MET A 194 -8.684 -10.958 10.475 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.104 -13.592 5.831 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.364 -14.126 4.466 1.00 0.76 C ATOM 2031 C ALA A 195 -5.320 -15.656 4.495 1.00 0.90 C ATOM 2032 O ALA A 195 -6.071 -16.322 3.811 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.294 -13.606 3.504 1.00 0.82 C ATOM 0 H ALA A 195 -4.367 -12.889 5.890 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.348 -13.798 4.131 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.483 -13.996 2.504 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.325 -12.517 3.480 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.311 -13.934 3.842 1.00 0.82 H new