USER MOD reduce.3.24.130724 H: found=0, std=0, add=699, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 697 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 88 SER OG : rot 172:sc= 0.983 USER MOD Set 1.2: A 142 CYS SG : rot 113:sc= -0.971 USER MOD Set 2.1: A 117 THR OG1 : rot 8:sc= -2.5! USER MOD Set 2.2: A 118 GLN :FLIP amide:sc= -4.29! C(o=-15!,f=-6.8!) USER MOD Set 3.1: A 102 HIS : no HD1:sc= -5.73! C(o=-7.2!,f=-18!) USER MOD Set 3.2: A 107 GLN :FLIP amide:sc= -1.45! C(o=-10!,f=-7.2!) USER MOD Set 4.1: A 89 HIS : no HE2:sc= -0.0584 K(o=0.29,f=-2.2!) USER MOD Set 4.2: A 187 SER OG : rot 26:sc= 0.352! USER MOD Single : A 79 MET CE :methyl -130:sc= -0.323 (180deg=-1.43) USER MOD Single : A 80 THR OG1 : rot 180:sc= -1.5! 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 92 LYS NZ :NH3+ -159:sc= 0.0154 (180deg=-0.516) USER MOD Single : A 94 LYS NZ :NH3+ 170:sc= -2.14! (180deg=-2.42) USER MOD Single : A 103 SER OG : rot 180:sc= 0 USER MOD Single : A 104 GLN : amide:sc= -0.198 K(o=-0.2,f=-1.8!) USER MOD Single : A 115 TYR OH : rot 180:sc= 0 USER MOD Single : A 116 HIS : no HE2:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 120 TYR OH : rot 180:sc= 0 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.106 F(o=-0.93,f=-0.11) USER MOD Single : A 126 ASN :FLIP amide:sc= -1.74 F(o=-3.5!,f=-1.7) USER MOD Single : A 127 TYR OH : rot 180:sc= -0.513 USER MOD Single : A 128 THR OG1 : rot 180:sc= 0.00355 USER MOD Single : A 135 TYR OH : rot 180:sc= 0 USER MOD Single : A 138 THR OG1 : rot -148:sc= 0.803 USER MOD Single : A 143 TYR OH : rot -88:sc= 0.756 USER MOD Single : A 144 LYS NZ :NH3+ -131:sc= 0.608 (180deg=-1.25) USER MOD Single : A 192 HIS : no HD1:sc= -0.248 K(o=-0.25,f=-3.5!) USER MOD Single : A 193 HIS :FLIP no HD1:sc= -1.37 F(o=-2,f=-1.4) USER MOD Single : A 194 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 274 N VAL A 74 20.177 0.032 -7.069 1.00 1.04 N ATOM 275 CA VAL A 74 21.032 -1.179 -6.977 1.00 0.93 C ATOM 276 C VAL A 74 20.319 -2.379 -7.641 1.00 0.86 C ATOM 277 O VAL A 74 19.107 -2.420 -7.708 1.00 0.89 O ATOM 278 CB VAL A 74 21.257 -1.453 -5.473 1.00 1.09 C ATOM 279 CG1 VAL A 74 21.392 -0.113 -4.728 1.00 1.17 C ATOM 280 CG2 VAL A 74 20.072 -2.232 -4.877 1.00 1.38 C ATOM 0 HA VAL A 74 21.982 -1.032 -7.491 1.00 0.93 H new ATOM 0 HB VAL A 74 22.165 -2.046 -5.361 1.00 1.09 H new ATOM 0 HG11 VAL A 74 21.551 -0.301 -3.666 1.00 1.17 H new ATOM 0 HG12 VAL A 74 22.240 0.442 -5.129 1.00 1.17 H new ATOM 0 HG13 VAL A 74 20.481 0.470 -4.861 1.00 1.17 H new ATOM 0 HG21 VAL A 74 20.252 -2.414 -3.817 1.00 1.38 H new ATOM 0 HG22 VAL A 74 19.158 -1.650 -4.995 1.00 1.38 H new ATOM 0 HG23 VAL A 74 19.965 -3.185 -5.396 1.00 1.38 H new ATOM 290 N PRO A 75 21.071 -3.344 -8.139 1.00 0.93 N ATOM 291 CA PRO A 75 20.507 -4.551 -8.814 1.00 1.00 C ATOM 292 C PRO A 75 19.212 -5.061 -8.170 1.00 0.88 C ATOM 293 O PRO A 75 18.847 -4.670 -7.079 1.00 0.84 O ATOM 294 CB PRO A 75 21.625 -5.582 -8.662 1.00 1.18 C ATOM 295 CG PRO A 75 22.888 -4.779 -8.711 1.00 1.37 C ATOM 296 CD PRO A 75 22.551 -3.396 -8.121 1.00 1.13 C ATOM 0 HA PRO A 75 20.226 -4.340 -9.846 1.00 1.00 H new ATOM 0 HB2 PRO A 75 21.537 -6.126 -7.722 1.00 1.18 H new ATOM 0 HB3 PRO A 75 21.594 -6.321 -9.462 1.00 1.18 H new ATOM 0 HG2 PRO A 75 23.678 -5.263 -8.137 1.00 1.37 H new ATOM 0 HG3 PRO A 75 23.249 -4.686 -9.735 1.00 1.37 H new ATOM 0 HD2 PRO A 75 22.941 -3.289 -7.109 1.00 1.13 H new ATOM 0 HD3 PRO A 75 22.985 -2.593 -8.716 1.00 1.13 H new ATOM 304 N LEU A 76 18.520 -5.937 -8.846 1.00 0.86 N ATOM 305 CA LEU A 76 17.250 -6.482 -8.289 1.00 0.77 C ATOM 306 C LEU A 76 17.546 -7.285 -7.021 1.00 0.77 C ATOM 307 O LEU A 76 18.002 -8.409 -7.079 1.00 0.85 O ATOM 308 CB LEU A 76 16.585 -7.396 -9.321 1.00 0.84 C ATOM 309 CG LEU A 76 16.138 -6.577 -10.541 1.00 0.87 C ATOM 310 CD1 LEU A 76 15.614 -7.534 -11.620 1.00 1.01 C ATOM 311 CD2 LEU A 76 15.027 -5.580 -10.141 1.00 0.76 C ATOM 0 H LEU A 76 18.781 -6.300 -9.763 1.00 0.86 H new ATOM 0 HA LEU A 76 16.582 -5.655 -8.049 1.00 0.77 H new ATOM 0 HB2 LEU A 76 17.282 -8.175 -9.631 1.00 0.84 H new ATOM 0 HB3 LEU A 76 15.726 -7.897 -8.875 1.00 0.84 H new ATOM 0 HG LEU A 76 16.987 -6.012 -10.927 1.00 0.87 H new ATOM 0 HD11 LEU A 76 15.294 -6.961 -12.490 1.00 1.01 H new ATOM 0 HD12 LEU A 76 16.407 -8.224 -11.911 1.00 1.01 H new ATOM 0 HD13 LEU A 76 14.768 -8.098 -11.226 1.00 1.01 H new ATOM 0 HD21 LEU A 76 14.720 -5.007 -11.016 1.00 0.76 H new ATOM 0 HD22 LEU A 76 14.171 -6.128 -9.748 1.00 0.76 H new ATOM 0 HD23 LEU A 76 15.405 -4.901 -9.377 1.00 0.76 H new ATOM 323 N ARG A 77 17.283 -6.720 -5.876 1.00 0.74 N ATOM 324 CA ARG A 77 17.542 -7.452 -4.605 1.00 0.79 C ATOM 325 C ARG A 77 16.395 -8.447 -4.365 1.00 0.71 C ATOM 326 O ARG A 77 15.288 -8.237 -4.824 1.00 0.73 O ATOM 327 CB ARG A 77 17.609 -6.439 -3.450 1.00 0.85 C ATOM 328 CG ARG A 77 19.010 -5.800 -3.384 1.00 1.19 C ATOM 329 CD ARG A 77 19.957 -6.681 -2.560 1.00 1.52 C ATOM 330 NE ARG A 77 21.264 -5.987 -2.394 1.00 2.13 N ATOM 331 CZ ARG A 77 22.109 -6.401 -1.490 1.00 2.66 C ATOM 332 NH1 ARG A 77 21.810 -7.427 -0.741 1.00 2.73 N ATOM 333 NH2 ARG A 77 23.250 -5.789 -1.335 1.00 3.61 N ATOM 0 H ARG A 77 16.899 -5.781 -5.765 1.00 0.74 H new ATOM 0 HA ARG A 77 18.486 -7.994 -4.663 1.00 0.79 H new ATOM 0 HB2 ARG A 77 16.854 -5.665 -3.591 1.00 0.85 H new ATOM 0 HB3 ARG A 77 17.383 -6.936 -2.507 1.00 0.85 H new ATOM 0 HG2 ARG A 77 19.406 -5.671 -4.391 1.00 1.19 H new ATOM 0 HG3 ARG A 77 18.944 -4.808 -2.938 1.00 1.19 H new ATOM 0 HD2 ARG A 77 19.518 -6.891 -1.584 1.00 1.52 H new ATOM 0 HD3 ARG A 77 20.103 -7.640 -3.057 1.00 1.52 H new ATOM 0 HE ARG A 77 21.498 -5.190 -2.986 1.00 2.13 H new ATOM 0 HH11 ARG A 77 20.917 -7.904 -0.863 1.00 2.73 H new ATOM 0 HH12 ARG A 77 22.470 -7.752 -0.034 1.00 2.73 H new ATOM 0 HH21 ARG A 77 23.482 -4.987 -1.920 1.00 3.61 H new ATOM 0 HH22 ARG A 77 23.910 -6.113 -0.628 1.00 3.61 H new ATOM 347 N PRO A 78 16.645 -9.520 -3.653 1.00 0.79 N ATOM 348 CA PRO A 78 15.598 -10.545 -3.363 1.00 0.76 C ATOM 349 C PRO A 78 14.547 -10.027 -2.373 1.00 0.67 C ATOM 350 O PRO A 78 14.866 -9.585 -1.288 1.00 0.69 O ATOM 351 CB PRO A 78 16.393 -11.717 -2.767 1.00 0.86 C ATOM 352 CG PRO A 78 17.609 -11.088 -2.166 1.00 1.18 C ATOM 353 CD PRO A 78 17.942 -9.880 -3.047 1.00 1.06 C ATOM 0 HA PRO A 78 15.033 -10.822 -4.253 1.00 0.76 H new ATOM 0 HB2 PRO A 78 15.810 -12.248 -2.015 1.00 0.86 H new ATOM 0 HB3 PRO A 78 16.662 -12.443 -3.534 1.00 0.86 H new ATOM 0 HG2 PRO A 78 17.421 -10.780 -1.138 1.00 1.18 H new ATOM 0 HG3 PRO A 78 18.440 -11.793 -2.141 1.00 1.18 H new ATOM 0 HD2 PRO A 78 18.352 -9.058 -2.461 1.00 1.06 H new ATOM 0 HD3 PRO A 78 18.683 -10.130 -3.806 1.00 1.06 H new ATOM 361 N MET A 79 13.296 -10.079 -2.743 1.00 0.65 N ATOM 362 CA MET A 79 12.223 -9.592 -1.830 1.00 0.61 C ATOM 363 C MET A 79 12.175 -10.496 -0.592 1.00 0.51 C ATOM 364 O MET A 79 11.677 -11.603 -0.643 1.00 0.56 O ATOM 365 CB MET A 79 10.873 -9.629 -2.574 1.00 0.66 C ATOM 366 CG MET A 79 9.943 -8.533 -2.041 1.00 0.74 C ATOM 367 SD MET A 79 9.701 -8.753 -0.262 1.00 1.25 S ATOM 368 CE MET A 79 9.073 -7.090 0.080 1.00 0.83 C ATOM 0 H MET A 79 12.970 -10.439 -3.640 1.00 0.65 H new ATOM 0 HA MET A 79 12.427 -8.568 -1.517 1.00 0.61 H new ATOM 0 HB2 MET A 79 11.035 -9.490 -3.643 1.00 0.66 H new ATOM 0 HB3 MET A 79 10.406 -10.606 -2.447 1.00 0.66 H new ATOM 0 HG2 MET A 79 10.370 -7.550 -2.241 1.00 0.74 H new ATOM 0 HG3 MET A 79 8.983 -8.574 -2.556 1.00 0.74 H new ATOM 0 HE1 MET A 79 9.620 -6.660 0.919 1.00 0.83 H new ATOM 0 HE2 MET A 79 9.207 -6.462 -0.801 1.00 0.83 H new ATOM 0 HE3 MET A 79 8.013 -7.145 0.328 1.00 0.83 H new ATOM 378 N THR A 80 12.698 -10.040 0.516 1.00 0.56 N ATOM 379 CA THR A 80 12.691 -10.886 1.748 1.00 0.60 C ATOM 380 C THR A 80 11.408 -10.671 2.530 1.00 0.56 C ATOM 381 O THR A 80 10.926 -9.567 2.661 1.00 0.50 O ATOM 382 CB THR A 80 13.893 -10.530 2.635 1.00 0.77 C ATOM 383 OG1 THR A 80 13.600 -9.368 3.394 1.00 0.94 O ATOM 384 CG2 THR A 80 15.122 -10.271 1.760 1.00 0.73 C ATOM 0 H THR A 80 13.129 -9.121 0.622 1.00 0.56 H new ATOM 0 HA THR A 80 12.755 -11.932 1.449 1.00 0.60 H new ATOM 0 HB THR A 80 14.098 -11.361 3.310 1.00 0.77 H new ATOM 0 HG1 THR A 80 14.368 -9.145 3.960 1.00 0.94 H new ATOM 0 HG21 THR A 80 15.973 -10.019 2.393 1.00 0.73 H new ATOM 0 HG22 THR A 80 15.352 -11.166 1.182 1.00 0.73 H new ATOM 0 HG23 THR A 80 14.917 -9.443 1.081 1.00 0.73 H new ATOM 392 N TYR A 81 10.858 -11.722 3.085 1.00 0.61 N ATOM 393 CA TYR A 81 9.626 -11.559 3.900 1.00 0.60 C ATOM 394 C TYR A 81 9.946 -10.459 4.911 1.00 0.51 C ATOM 395 O TYR A 81 9.149 -9.584 5.189 1.00 0.45 O ATOM 396 CB TYR A 81 9.301 -12.903 4.593 1.00 0.69 C ATOM 397 CG TYR A 81 8.682 -12.684 5.958 1.00 0.60 C ATOM 398 CD1 TYR A 81 7.320 -12.393 6.073 1.00 0.59 C ATOM 399 CD2 TYR A 81 9.478 -12.775 7.105 1.00 0.71 C ATOM 400 CE1 TYR A 81 6.752 -12.193 7.336 1.00 0.66 C ATOM 401 CE2 TYR A 81 8.912 -12.575 8.368 1.00 0.77 C ATOM 402 CZ TYR A 81 7.549 -12.284 8.484 1.00 0.73 C ATOM 403 OH TYR A 81 6.988 -12.085 9.729 1.00 0.90 O ATOM 0 H TYR A 81 11.209 -12.677 3.007 1.00 0.61 H new ATOM 0 HA TYR A 81 8.752 -11.286 3.308 1.00 0.60 H new ATOM 0 HB2 TYR A 81 8.617 -13.480 3.970 1.00 0.69 H new ATOM 0 HB3 TYR A 81 10.213 -13.492 4.695 1.00 0.69 H new ATOM 0 HD1 TYR A 81 6.706 -12.323 5.187 1.00 0.59 H new ATOM 0 HD2 TYR A 81 10.530 -13.000 7.015 1.00 0.71 H new ATOM 0 HE1 TYR A 81 5.699 -11.969 7.426 1.00 0.66 H new ATOM 0 HE2 TYR A 81 9.527 -12.645 9.253 1.00 0.77 H new ATOM 0 HH TYR A 81 7.677 -12.185 10.418 1.00 0.90 H new ATOM 413 N LYS A 82 11.148 -10.489 5.412 1.00 0.52 N ATOM 414 CA LYS A 82 11.595 -9.441 6.355 1.00 0.48 C ATOM 415 C LYS A 82 11.574 -8.096 5.628 1.00 0.40 C ATOM 416 O LYS A 82 11.378 -7.062 6.232 1.00 0.38 O ATOM 417 CB LYS A 82 13.018 -9.755 6.821 1.00 0.55 C ATOM 418 CG LYS A 82 13.385 -8.855 8.009 1.00 0.60 C ATOM 419 CD LYS A 82 14.784 -9.221 8.541 1.00 0.92 C ATOM 420 CE LYS A 82 14.686 -10.367 9.555 1.00 1.49 C ATOM 421 NZ LYS A 82 16.055 -10.751 10.004 1.00 2.32 N ATOM 0 H LYS A 82 11.844 -11.205 5.203 1.00 0.52 H new ATOM 0 HA LYS A 82 10.936 -9.404 7.222 1.00 0.48 H new ATOM 0 HB2 LYS A 82 13.093 -10.803 7.110 1.00 0.55 H new ATOM 0 HB3 LYS A 82 13.721 -9.599 6.003 1.00 0.55 H new ATOM 0 HG2 LYS A 82 13.367 -7.809 7.702 1.00 0.60 H new ATOM 0 HG3 LYS A 82 12.645 -8.967 8.802 1.00 0.60 H new ATOM 0 HD2 LYS A 82 15.430 -9.513 7.713 1.00 0.92 H new ATOM 0 HD3 LYS A 82 15.241 -8.350 9.010 1.00 0.92 H new ATOM 0 HE2 LYS A 82 14.084 -10.060 10.410 1.00 1.49 H new ATOM 0 HE3 LYS A 82 14.186 -11.224 9.104 1.00 1.49 H new ATOM 0 HZ1 LYS A 82 15.989 -11.528 10.692 1.00 2.32 H new ATOM 0 HZ2 LYS A 82 16.615 -11.060 9.184 1.00 2.32 H new ATOM 0 HZ3 LYS A 82 16.517 -9.932 10.450 1.00 2.32 H new ATOM 435 N ALA A 83 11.783 -8.093 4.328 1.00 0.42 N ATOM 436 CA ALA A 83 11.774 -6.786 3.597 1.00 0.41 C ATOM 437 C ALA A 83 10.377 -6.161 3.658 1.00 0.35 C ATOM 438 O ALA A 83 10.228 -4.968 3.830 1.00 0.34 O ATOM 439 CB ALA A 83 12.163 -6.991 2.129 1.00 0.52 C ATOM 0 H ALA A 83 11.955 -8.919 3.756 1.00 0.42 H new ATOM 0 HA ALA A 83 12.496 -6.123 4.073 1.00 0.41 H new ATOM 0 HB1 ALA A 83 12.152 -6.031 1.612 1.00 0.52 H new ATOM 0 HB2 ALA A 83 13.163 -7.421 2.074 1.00 0.52 H new ATOM 0 HB3 ALA A 83 11.451 -7.667 1.655 1.00 0.52 H new ATOM 445 N ALA A 84 9.351 -6.954 3.505 1.00 0.34 N ATOM 446 CA ALA A 84 7.964 -6.403 3.539 1.00 0.31 C ATOM 447 C ALA A 84 7.665 -5.800 4.913 1.00 0.28 C ATOM 448 O ALA A 84 7.238 -4.668 5.023 1.00 0.28 O ATOM 449 CB ALA A 84 6.967 -7.528 3.253 1.00 0.34 C ATOM 0 H ALA A 84 9.413 -7.961 3.358 1.00 0.34 H new ATOM 0 HA ALA A 84 7.874 -5.623 2.783 1.00 0.31 H new ATOM 0 HB1 ALA A 84 5.953 -7.130 3.277 1.00 0.34 H new ATOM 0 HB2 ALA A 84 7.168 -7.951 2.269 1.00 0.34 H new ATOM 0 HB3 ALA A 84 7.069 -8.306 4.010 1.00 0.34 H new ATOM 455 N VAL A 85 7.868 -6.549 5.961 1.00 0.29 N ATOM 456 CA VAL A 85 7.575 -6.016 7.323 1.00 0.29 C ATOM 457 C VAL A 85 8.509 -4.847 7.635 1.00 0.29 C ATOM 458 O VAL A 85 8.081 -3.815 8.112 1.00 0.30 O ATOM 459 CB VAL A 85 7.762 -7.130 8.361 1.00 0.33 C ATOM 460 CG1 VAL A 85 7.002 -6.781 9.647 1.00 0.37 C ATOM 461 CG2 VAL A 85 7.221 -8.444 7.793 1.00 0.38 C ATOM 0 H VAL A 85 8.223 -7.505 5.935 1.00 0.29 H new ATOM 0 HA VAL A 85 6.544 -5.663 7.359 1.00 0.29 H new ATOM 0 HB VAL A 85 8.823 -7.234 8.590 1.00 0.33 H new ATOM 0 HG11 VAL A 85 7.140 -7.577 10.379 1.00 0.37 H new ATOM 0 HG12 VAL A 85 7.385 -5.845 10.053 1.00 0.37 H new ATOM 0 HG13 VAL A 85 5.940 -6.673 9.424 1.00 0.37 H new ATOM 0 HG21 VAL A 85 7.352 -9.239 8.527 1.00 0.38 H new ATOM 0 HG22 VAL A 85 6.161 -8.332 7.564 1.00 0.38 H new ATOM 0 HG23 VAL A 85 7.764 -8.698 6.883 1.00 0.38 H new ATOM 471 N ASP A 86 9.775 -4.987 7.361 1.00 0.30 N ATOM 472 CA ASP A 86 10.708 -3.863 7.640 1.00 0.32 C ATOM 473 C ASP A 86 10.259 -2.660 6.813 1.00 0.30 C ATOM 474 O ASP A 86 10.183 -1.550 7.300 1.00 0.31 O ATOM 475 CB ASP A 86 12.133 -4.265 7.242 1.00 0.36 C ATOM 476 CG ASP A 86 12.745 -5.143 8.338 1.00 0.42 C ATOM 477 OD1 ASP A 86 11.993 -5.636 9.163 1.00 1.05 O ATOM 478 OD2 ASP A 86 13.954 -5.304 8.334 1.00 1.23 O ATOM 0 H ASP A 86 10.201 -5.823 6.960 1.00 0.30 H new ATOM 0 HA ASP A 86 10.699 -3.616 8.702 1.00 0.32 H new ATOM 0 HB2 ASP A 86 12.118 -4.805 6.295 1.00 0.36 H new ATOM 0 HB3 ASP A 86 12.744 -3.375 7.092 1.00 0.36 H new ATOM 483 N LEU A 87 9.946 -2.881 5.567 1.00 0.29 N ATOM 484 CA LEU A 87 9.483 -1.761 4.705 1.00 0.30 C ATOM 485 C LEU A 87 8.189 -1.185 5.282 1.00 0.29 C ATOM 486 O LEU A 87 8.031 0.016 5.384 1.00 0.30 O ATOM 487 CB LEU A 87 9.232 -2.287 3.283 1.00 0.33 C ATOM 488 CG LEU A 87 8.887 -1.130 2.327 1.00 0.42 C ATOM 489 CD1 LEU A 87 10.158 -0.364 1.929 1.00 0.52 C ATOM 490 CD2 LEU A 87 8.228 -1.697 1.065 1.00 0.44 C ATOM 0 H LEU A 87 9.991 -3.791 5.109 1.00 0.29 H new ATOM 0 HA LEU A 87 10.242 -0.979 4.671 1.00 0.30 H new ATOM 0 HB2 LEU A 87 10.117 -2.811 2.923 1.00 0.33 H new ATOM 0 HB3 LEU A 87 8.416 -3.010 3.296 1.00 0.33 H new ATOM 0 HG LEU A 87 8.205 -0.447 2.834 1.00 0.42 H new ATOM 0 HD11 LEU A 87 9.896 0.450 1.253 1.00 0.52 H new ATOM 0 HD12 LEU A 87 10.632 0.044 2.822 1.00 0.52 H new ATOM 0 HD13 LEU A 87 10.850 -1.042 1.429 1.00 0.52 H new ATOM 0 HD21 LEU A 87 7.982 -0.881 0.385 1.00 0.44 H new ATOM 0 HD22 LEU A 87 8.916 -2.385 0.573 1.00 0.44 H new ATOM 0 HD23 LEU A 87 7.317 -2.229 1.338 1.00 0.44 H new ATOM 502 N SER A 88 7.259 -2.023 5.660 1.00 0.30 N ATOM 503 CA SER A 88 5.988 -1.495 6.222 1.00 0.34 C ATOM 504 C SER A 88 6.299 -0.545 7.379 1.00 0.33 C ATOM 505 O SER A 88 5.704 0.507 7.508 1.00 0.36 O ATOM 506 CB SER A 88 5.134 -2.656 6.731 1.00 0.40 C ATOM 507 OG SER A 88 5.503 -2.959 8.070 1.00 0.44 O ATOM 0 H SER A 88 7.326 -3.039 5.604 1.00 0.30 H new ATOM 0 HA SER A 88 5.443 -0.957 5.446 1.00 0.34 H new ATOM 0 HB2 SER A 88 4.077 -2.393 6.683 1.00 0.40 H new ATOM 0 HB3 SER A 88 5.274 -3.531 6.096 1.00 0.40 H new ATOM 0 HG SER A 88 4.872 -3.609 8.444 1.00 0.44 H new ATOM 513 N HIS A 89 7.221 -0.908 8.228 1.00 0.34 N ATOM 514 CA HIS A 89 7.559 -0.026 9.380 1.00 0.36 C ATOM 515 C HIS A 89 8.302 1.217 8.890 1.00 0.36 C ATOM 516 O HIS A 89 8.067 2.310 9.365 1.00 0.41 O ATOM 517 CB HIS A 89 8.438 -0.795 10.379 1.00 0.41 C ATOM 518 CG HIS A 89 7.578 -1.688 11.233 1.00 0.52 C ATOM 519 ND1 HIS A 89 7.197 -2.956 10.826 1.00 1.43 N ATOM 520 CD2 HIS A 89 7.017 -1.506 12.472 1.00 1.01 C ATOM 521 CE1 HIS A 89 6.438 -3.483 11.804 1.00 1.27 C ATOM 522 NE2 HIS A 89 6.297 -2.641 12.831 1.00 0.82 N ATOM 0 H HIS A 89 7.754 -1.776 8.174 1.00 0.34 H new ATOM 0 HA HIS A 89 6.637 0.284 9.872 1.00 0.36 H new ATOM 0 HB2 HIS A 89 9.177 -1.391 9.843 1.00 0.41 H new ATOM 0 HB3 HIS A 89 8.988 -0.095 11.008 1.00 0.41 H new ATOM 0 HD1 HIS A 89 7.446 -3.408 9.946 1.00 1.43 H new ATOM 0 HD2 HIS A 89 7.119 -0.617 13.077 1.00 1.01 H new ATOM 0 HE1 HIS A 89 5.996 -4.468 11.763 1.00 1.27 H new ATOM 530 N PHE A 90 9.189 1.076 7.946 1.00 0.34 N ATOM 531 CA PHE A 90 9.912 2.281 7.460 1.00 0.37 C ATOM 532 C PHE A 90 8.883 3.285 6.945 1.00 0.40 C ATOM 533 O PHE A 90 8.841 4.423 7.366 1.00 0.47 O ATOM 534 CB PHE A 90 10.867 1.892 6.329 1.00 0.38 C ATOM 535 CG PHE A 90 11.653 3.108 5.895 1.00 0.47 C ATOM 536 CD1 PHE A 90 12.750 3.538 6.653 1.00 0.57 C ATOM 537 CD2 PHE A 90 11.288 3.803 4.737 1.00 0.59 C ATOM 538 CE1 PHE A 90 13.481 4.663 6.250 1.00 0.69 C ATOM 539 CE2 PHE A 90 12.017 4.929 4.335 1.00 0.70 C ATOM 540 CZ PHE A 90 13.114 5.358 5.092 1.00 0.72 C ATOM 0 H PHE A 90 9.441 0.195 7.497 1.00 0.34 H new ATOM 0 HA PHE A 90 10.492 2.722 8.271 1.00 0.37 H new ATOM 0 HB2 PHE A 90 11.545 1.108 6.665 1.00 0.38 H new ATOM 0 HB3 PHE A 90 10.305 1.489 5.486 1.00 0.38 H new ATOM 0 HD1 PHE A 90 13.032 3.002 7.547 1.00 0.57 H new ATOM 0 HD2 PHE A 90 10.443 3.471 4.152 1.00 0.59 H new ATOM 0 HE1 PHE A 90 14.328 4.994 6.833 1.00 0.69 H new ATOM 0 HE2 PHE A 90 11.733 5.466 3.442 1.00 0.70 H new ATOM 0 HZ PHE A 90 13.677 6.226 4.782 1.00 0.72 H new ATOM 550 N LEU A 91 8.049 2.866 6.036 1.00 0.37 N ATOM 551 CA LEU A 91 7.016 3.786 5.488 1.00 0.42 C ATOM 552 C LEU A 91 6.035 4.210 6.591 1.00 0.47 C ATOM 553 O LEU A 91 5.315 5.178 6.446 1.00 0.57 O ATOM 554 CB LEU A 91 6.246 3.080 4.368 1.00 0.41 C ATOM 555 CG LEU A 91 7.211 2.666 3.248 1.00 0.41 C ATOM 556 CD1 LEU A 91 6.475 1.753 2.263 1.00 0.42 C ATOM 557 CD2 LEU A 91 7.733 3.910 2.504 1.00 0.54 C ATOM 0 H LEU A 91 8.038 1.923 5.648 1.00 0.37 H new ATOM 0 HA LEU A 91 7.511 4.674 5.095 1.00 0.42 H new ATOM 0 HB2 LEU A 91 5.736 2.201 4.764 1.00 0.41 H new ATOM 0 HB3 LEU A 91 5.477 3.742 3.970 1.00 0.41 H new ATOM 0 HG LEU A 91 8.058 2.137 3.684 1.00 0.41 H new ATOM 0 HD11 LEU A 91 7.155 1.455 1.465 1.00 0.42 H new ATOM 0 HD12 LEU A 91 6.119 0.865 2.786 1.00 0.42 H new ATOM 0 HD13 LEU A 91 5.626 2.287 1.836 1.00 0.42 H new ATOM 0 HD21 LEU A 91 8.416 3.601 1.713 1.00 0.54 H new ATOM 0 HD22 LEU A 91 6.894 4.452 2.068 1.00 0.54 H new ATOM 0 HD23 LEU A 91 8.259 4.559 3.204 1.00 0.54 H new ATOM 569 N LYS A 92 5.981 3.499 7.686 1.00 0.45 N ATOM 570 CA LYS A 92 5.022 3.884 8.763 1.00 0.53 C ATOM 571 C LYS A 92 5.358 5.284 9.291 1.00 0.63 C ATOM 572 O LYS A 92 4.633 6.233 9.061 1.00 0.85 O ATOM 573 CB LYS A 92 5.098 2.867 9.907 1.00 0.54 C ATOM 574 CG LYS A 92 3.975 3.128 10.921 1.00 0.73 C ATOM 575 CD LYS A 92 4.285 2.392 12.228 1.00 1.20 C ATOM 576 CE LYS A 92 3.076 2.470 13.163 1.00 1.61 C ATOM 577 NZ LYS A 92 2.610 3.882 13.261 1.00 2.27 N ATOM 0 H LYS A 92 6.553 2.677 7.881 1.00 0.45 H new ATOM 0 HA LYS A 92 4.012 3.894 8.354 1.00 0.53 H new ATOM 0 HB2 LYS A 92 5.013 1.855 9.511 1.00 0.54 H new ATOM 0 HB3 LYS A 92 6.067 2.935 10.401 1.00 0.54 H new ATOM 0 HG2 LYS A 92 3.880 4.198 11.107 1.00 0.73 H new ATOM 0 HG3 LYS A 92 3.021 2.789 10.518 1.00 0.73 H new ATOM 0 HD2 LYS A 92 4.530 1.350 12.021 1.00 1.20 H new ATOM 0 HD3 LYS A 92 5.157 2.835 12.708 1.00 1.20 H new ATOM 0 HE2 LYS A 92 2.272 1.836 12.788 1.00 1.61 H new ATOM 0 HE3 LYS A 92 3.343 2.095 14.151 1.00 1.61 H new ATOM 0 HZ1 LYS A 92 2.051 4.003 14.129 1.00 2.27 H new ATOM 0 HZ2 LYS A 92 3.432 4.518 13.287 1.00 2.27 H new ATOM 0 HZ3 LYS A 92 2.021 4.111 12.435 1.00 2.27 H new ATOM 591 N GLU A 93 6.434 5.418 10.014 1.00 0.62 N ATOM 592 CA GLU A 93 6.797 6.753 10.575 1.00 0.76 C ATOM 593 C GLU A 93 7.220 7.721 9.464 1.00 0.77 C ATOM 594 O GLU A 93 6.727 8.827 9.374 1.00 1.05 O ATOM 595 CB GLU A 93 7.957 6.588 11.561 1.00 0.94 C ATOM 596 CG GLU A 93 7.627 5.480 12.563 1.00 1.22 C ATOM 597 CD GLU A 93 6.385 5.868 13.367 1.00 2.00 C ATOM 598 OE1 GLU A 93 6.240 7.042 13.666 1.00 2.73 O ATOM 599 OE2 GLU A 93 5.600 4.985 13.669 1.00 2.54 O ATOM 0 H GLU A 93 7.079 4.662 10.242 1.00 0.62 H new ATOM 0 HA GLU A 93 5.923 7.163 11.080 1.00 0.76 H new ATOM 0 HB2 GLU A 93 8.873 6.344 11.023 1.00 0.94 H new ATOM 0 HB3 GLU A 93 8.136 7.526 12.087 1.00 0.94 H new ATOM 0 HG2 GLU A 93 7.454 4.541 12.038 1.00 1.22 H new ATOM 0 HG3 GLU A 93 8.471 5.319 13.234 1.00 1.22 H new ATOM 606 N LYS A 94 8.150 7.329 8.638 1.00 0.80 N ATOM 607 CA LYS A 94 8.627 8.242 7.557 1.00 1.02 C ATOM 608 C LYS A 94 7.609 8.328 6.415 1.00 0.96 C ATOM 609 O LYS A 94 7.252 9.403 5.976 1.00 1.41 O ATOM 610 CB LYS A 94 9.961 7.719 7.012 1.00 1.39 C ATOM 611 CG LYS A 94 11.075 7.926 8.058 1.00 1.63 C ATOM 612 CD LYS A 94 11.689 9.337 7.924 1.00 2.18 C ATOM 613 CE LYS A 94 12.879 9.313 6.951 1.00 2.61 C ATOM 614 NZ LYS A 94 12.588 8.391 5.816 1.00 2.96 N ATOM 0 H LYS A 94 8.602 6.415 8.664 1.00 0.80 H new ATOM 0 HA LYS A 94 8.754 9.240 7.977 1.00 1.02 H new ATOM 0 HB2 LYS A 94 9.873 6.661 6.767 1.00 1.39 H new ATOM 0 HB3 LYS A 94 10.216 8.240 6.089 1.00 1.39 H new ATOM 0 HG2 LYS A 94 10.669 7.794 9.061 1.00 1.63 H new ATOM 0 HG3 LYS A 94 11.851 7.172 7.926 1.00 1.63 H new ATOM 0 HD2 LYS A 94 10.933 10.037 7.567 1.00 2.18 H new ATOM 0 HD3 LYS A 94 12.017 9.692 8.901 1.00 2.18 H new ATOM 0 HE2 LYS A 94 13.072 10.317 6.575 1.00 2.61 H new ATOM 0 HE3 LYS A 94 13.780 8.989 7.472 1.00 2.61 H new ATOM 0 HZ1 LYS A 94 13.315 8.505 5.081 1.00 2.96 H new ATOM 0 HZ2 LYS A 94 12.592 7.409 6.157 1.00 2.96 H new ATOM 0 HZ3 LYS A 94 11.654 8.615 5.417 1.00 2.96 H new ATOM 628 N GLY A 95 7.156 7.214 5.911 1.00 1.12 N ATOM 629 CA GLY A 95 6.184 7.256 4.779 1.00 1.51 C ATOM 630 C GLY A 95 4.899 7.975 5.197 1.00 1.10 C ATOM 631 O GLY A 95 4.547 9.000 4.648 1.00 1.71 O ATOM 0 H GLY A 95 7.414 6.280 6.231 1.00 1.12 H new ATOM 0 HA2 GLY A 95 6.632 7.767 3.927 1.00 1.51 H new ATOM 0 HA3 GLY A 95 5.951 6.242 4.456 1.00 1.51 H new ATOM 635 N GLY A 96 4.189 7.444 6.153 1.00 1.17 N ATOM 636 CA GLY A 96 2.921 8.097 6.585 1.00 0.99 C ATOM 637 C GLY A 96 1.810 7.751 5.586 1.00 0.81 C ATOM 638 O GLY A 96 0.945 8.555 5.301 1.00 0.83 O ATOM 0 H GLY A 96 4.431 6.588 6.653 1.00 1.17 H new ATOM 0 HA2 GLY A 96 2.646 7.759 7.584 1.00 0.99 H new ATOM 0 HA3 GLY A 96 3.054 9.177 6.639 1.00 0.99 H new ATOM 642 N LEU A 97 1.832 6.558 5.055 1.00 0.67 N ATOM 643 CA LEU A 97 0.786 6.147 4.077 1.00 0.55 C ATOM 644 C LEU A 97 -0.470 5.729 4.848 1.00 0.46 C ATOM 645 O LEU A 97 -1.567 5.727 4.326 1.00 0.49 O ATOM 646 CB LEU A 97 1.322 4.962 3.254 1.00 0.54 C ATOM 647 CG LEU A 97 0.300 4.517 2.193 1.00 0.54 C ATOM 648 CD1 LEU A 97 0.191 5.570 1.081 1.00 0.65 C ATOM 649 CD2 LEU A 97 0.758 3.184 1.591 1.00 0.66 C ATOM 0 H LEU A 97 2.534 5.847 5.259 1.00 0.67 H new ATOM 0 HA LEU A 97 0.539 6.970 3.406 1.00 0.55 H new ATOM 0 HB2 LEU A 97 2.255 5.246 2.768 1.00 0.54 H new ATOM 0 HB3 LEU A 97 1.549 4.127 3.917 1.00 0.54 H new ATOM 0 HG LEU A 97 -0.677 4.402 2.662 1.00 0.54 H new ATOM 0 HD11 LEU A 97 -0.536 5.241 0.338 1.00 0.65 H new ATOM 0 HD12 LEU A 97 -0.132 6.519 1.509 1.00 0.65 H new ATOM 0 HD13 LEU A 97 1.163 5.699 0.605 1.00 0.65 H new ATOM 0 HD21 LEU A 97 0.040 2.859 0.838 1.00 0.66 H new ATOM 0 HD22 LEU A 97 1.737 3.311 1.129 1.00 0.66 H new ATOM 0 HD23 LEU A 97 0.823 2.433 2.378 1.00 0.66 H new ATOM 661 N GLU A 98 -0.313 5.376 6.091 1.00 0.44 N ATOM 662 CA GLU A 98 -1.486 4.955 6.906 1.00 0.40 C ATOM 663 C GLU A 98 -2.589 6.010 6.834 1.00 0.40 C ATOM 664 O GLU A 98 -2.339 7.194 6.733 1.00 0.58 O ATOM 665 CB GLU A 98 -1.051 4.774 8.362 1.00 0.49 C ATOM 666 CG GLU A 98 -2.258 4.394 9.237 1.00 0.48 C ATOM 667 CD GLU A 98 -3.052 5.648 9.625 1.00 1.26 C ATOM 668 OE1 GLU A 98 -2.444 6.697 9.761 1.00 1.94 O ATOM 669 OE2 GLU A 98 -4.257 5.534 9.781 1.00 2.03 O ATOM 0 H GLU A 98 0.581 5.361 6.581 1.00 0.44 H new ATOM 0 HA GLU A 98 -1.871 4.014 6.513 1.00 0.40 H new ATOM 0 HB2 GLU A 98 -0.288 3.998 8.427 1.00 0.49 H new ATOM 0 HB3 GLU A 98 -0.601 5.696 8.731 1.00 0.49 H new ATOM 0 HG2 GLU A 98 -2.902 3.700 8.697 1.00 0.48 H new ATOM 0 HG3 GLU A 98 -1.917 3.879 10.135 1.00 0.48 H new ATOM 676 N GLY A 99 -3.810 5.571 6.917 1.00 0.39 N ATOM 677 CA GLY A 99 -4.969 6.509 6.891 1.00 0.42 C ATOM 678 C GLY A 99 -4.958 7.387 5.631 1.00 0.42 C ATOM 679 O GLY A 99 -5.833 8.207 5.441 1.00 0.46 O ATOM 0 H GLY A 99 -4.061 4.586 7.003 1.00 0.39 H new ATOM 0 HA2 GLY A 99 -5.898 5.941 6.931 1.00 0.42 H new ATOM 0 HA3 GLY A 99 -4.944 7.143 7.777 1.00 0.42 H new ATOM 683 N LEU A 100 -3.991 7.234 4.767 1.00 0.41 N ATOM 684 CA LEU A 100 -3.970 8.084 3.535 1.00 0.43 C ATOM 685 C LEU A 100 -5.036 7.576 2.554 1.00 0.42 C ATOM 686 O LEU A 100 -4.990 6.449 2.103 1.00 0.44 O ATOM 687 CB LEU A 100 -2.575 8.019 2.883 1.00 0.45 C ATOM 688 CG LEU A 100 -2.324 9.278 2.021 1.00 0.55 C ATOM 689 CD1 LEU A 100 -1.771 10.413 2.892 1.00 1.15 C ATOM 690 CD2 LEU A 100 -1.302 8.961 0.920 1.00 1.17 C ATOM 0 H LEU A 100 -3.223 6.568 4.855 1.00 0.41 H new ATOM 0 HA LEU A 100 -4.186 9.119 3.798 1.00 0.43 H new ATOM 0 HB2 LEU A 100 -1.809 7.940 3.655 1.00 0.45 H new ATOM 0 HB3 LEU A 100 -2.497 7.125 2.264 1.00 0.45 H new ATOM 0 HG LEU A 100 -3.270 9.585 1.574 1.00 0.55 H new ATOM 0 HD11 LEU A 100 -1.598 11.294 2.274 1.00 1.15 H new ATOM 0 HD12 LEU A 100 -2.490 10.654 3.675 1.00 1.15 H new ATOM 0 HD13 LEU A 100 -0.831 10.098 3.346 1.00 1.15 H new ATOM 0 HD21 LEU A 100 -1.130 9.852 0.316 1.00 1.17 H new ATOM 0 HD22 LEU A 100 -0.364 8.644 1.375 1.00 1.17 H new ATOM 0 HD23 LEU A 100 -1.686 8.162 0.286 1.00 1.17 H new ATOM 702 N ILE A 101 -6.005 8.396 2.230 1.00 0.44 N ATOM 703 CA ILE A 101 -7.076 7.951 1.291 1.00 0.45 C ATOM 704 C ILE A 101 -6.470 7.609 -0.075 1.00 0.46 C ATOM 705 O ILE A 101 -6.054 8.472 -0.823 1.00 0.49 O ATOM 706 CB ILE A 101 -8.153 9.050 1.176 1.00 0.50 C ATOM 707 CG1 ILE A 101 -9.081 8.996 2.417 1.00 0.51 C ATOM 708 CG2 ILE A 101 -8.979 8.872 -0.107 1.00 0.54 C ATOM 709 CD1 ILE A 101 -10.161 7.895 2.285 1.00 0.52 C ATOM 0 H ILE A 101 -6.099 9.351 2.575 1.00 0.44 H new ATOM 0 HA ILE A 101 -7.551 7.049 1.676 1.00 0.45 H new ATOM 0 HB ILE A 101 -7.660 10.021 1.131 1.00 0.50 H new ATOM 0 HG12 ILE A 101 -8.483 8.812 3.309 1.00 0.51 H new ATOM 0 HG13 ILE A 101 -9.564 9.964 2.551 1.00 0.51 H new ATOM 0 HG21 ILE A 101 -9.732 9.658 -0.167 1.00 0.54 H new ATOM 0 HG22 ILE A 101 -8.322 8.932 -0.974 1.00 0.54 H new ATOM 0 HG23 ILE A 101 -9.470 7.899 -0.091 1.00 0.54 H new ATOM 0 HD11 ILE A 101 -10.789 7.892 3.176 1.00 0.52 H new ATOM 0 HD12 ILE A 101 -10.777 8.093 1.408 1.00 0.52 H new ATOM 0 HD13 ILE A 101 -9.679 6.923 2.178 1.00 0.52 H new ATOM 721 N HIS A 102 -6.429 6.342 -0.393 1.00 0.47 N ATOM 722 CA HIS A 102 -5.863 5.901 -1.699 1.00 0.51 C ATOM 723 C HIS A 102 -6.743 6.400 -2.844 1.00 0.58 C ATOM 724 O HIS A 102 -7.801 5.857 -3.111 1.00 0.64 O ATOM 725 CB HIS A 102 -5.802 4.370 -1.732 1.00 0.57 C ATOM 726 CG HIS A 102 -5.268 3.914 -3.056 1.00 0.64 C ATOM 727 ND1 HIS A 102 -4.739 4.794 -3.984 1.00 1.41 N ATOM 728 CD2 HIS A 102 -5.186 2.669 -3.627 1.00 0.64 C ATOM 729 CE1 HIS A 102 -4.367 4.073 -5.056 1.00 1.36 C ATOM 730 NE2 HIS A 102 -4.621 2.773 -4.892 1.00 0.70 N ATOM 0 H HIS A 102 -6.767 5.587 0.204 1.00 0.47 H new ATOM 0 HA HIS A 102 -4.860 6.313 -1.814 1.00 0.51 H new ATOM 0 HB2 HIS A 102 -5.165 4.004 -0.927 1.00 0.57 H new ATOM 0 HB3 HIS A 102 -6.796 3.953 -1.567 1.00 0.57 H new ATOM 0 HD2 HIS A 102 -5.511 1.749 -3.164 1.00 0.64 H new ATOM 0 HE1 HIS A 102 -3.917 4.495 -5.943 1.00 1.36 H new ATOM 0 HE2 HIS A 102 -4.439 2.018 -5.553 1.00 0.70 H new ATOM 738 N SER A 103 -6.307 7.428 -3.524 1.00 0.60 N ATOM 739 CA SER A 103 -7.097 7.968 -4.664 1.00 0.69 C ATOM 740 C SER A 103 -7.055 6.973 -5.826 1.00 0.76 C ATOM 741 O SER A 103 -8.024 6.301 -6.117 1.00 0.85 O ATOM 742 CB SER A 103 -6.499 9.302 -5.111 1.00 0.74 C ATOM 743 OG SER A 103 -7.387 9.933 -6.026 1.00 1.49 O ATOM 0 H SER A 103 -5.432 7.918 -3.336 1.00 0.60 H new ATOM 0 HA SER A 103 -8.130 8.121 -4.353 1.00 0.69 H new ATOM 0 HB2 SER A 103 -6.331 9.946 -4.248 1.00 0.74 H new ATOM 0 HB3 SER A 103 -5.529 9.139 -5.581 1.00 0.74 H new ATOM 0 HG SER A 103 -7.007 10.789 -6.313 1.00 1.49 H new ATOM 749 N GLN A 104 -5.933 6.875 -6.491 1.00 0.81 N ATOM 750 CA GLN A 104 -5.823 5.923 -7.634 1.00 0.92 C ATOM 751 C GLN A 104 -4.362 5.836 -8.095 1.00 0.93 C ATOM 752 O GLN A 104 -3.845 4.765 -8.340 1.00 1.37 O ATOM 753 CB GLN A 104 -6.697 6.413 -8.793 1.00 1.06 C ATOM 754 CG GLN A 104 -6.732 5.353 -9.900 1.00 1.76 C ATOM 755 CD GLN A 104 -7.482 4.115 -9.407 1.00 2.14 C ATOM 756 OE1 GLN A 104 -8.284 4.197 -8.497 1.00 2.64 O ATOM 757 NE2 GLN A 104 -7.255 2.962 -9.975 1.00 2.70 N ATOM 0 H GLN A 104 -5.090 7.413 -6.292 1.00 0.81 H new ATOM 0 HA GLN A 104 -6.160 4.936 -7.316 1.00 0.92 H new ATOM 0 HB2 GLN A 104 -7.708 6.615 -8.438 1.00 1.06 H new ATOM 0 HB3 GLN A 104 -6.304 7.350 -9.186 1.00 1.06 H new ATOM 0 HG2 GLN A 104 -7.220 5.756 -10.787 1.00 1.76 H new ATOM 0 HG3 GLN A 104 -5.717 5.083 -10.190 1.00 1.76 H new ATOM 0 HE21 GLN A 104 -6.582 2.893 -10.738 1.00 2.70 H new ATOM 0 HE22 GLN A 104 -7.751 2.130 -9.655 1.00 2.70 H new ATOM 766 N ARG A 105 -3.697 6.953 -8.224 1.00 0.83 N ATOM 767 CA ARG A 105 -2.273 6.934 -8.678 1.00 0.87 C ATOM 768 C ARG A 105 -1.340 6.738 -7.472 1.00 0.74 C ATOM 769 O ARG A 105 -0.181 6.408 -7.621 1.00 0.70 O ATOM 770 CB ARG A 105 -1.953 8.272 -9.377 1.00 1.06 C ATOM 771 CG ARG A 105 -0.852 8.077 -10.441 1.00 1.71 C ATOM 772 CD ARG A 105 -1.477 7.633 -11.770 1.00 1.99 C ATOM 773 NE ARG A 105 -2.459 8.660 -12.225 1.00 2.86 N ATOM 774 CZ ARG A 105 -2.885 8.655 -13.459 1.00 3.60 C ATOM 775 NH1 ARG A 105 -2.438 7.765 -14.301 1.00 3.73 N ATOM 776 NH2 ARG A 105 -3.757 9.544 -13.852 1.00 4.61 N ATOM 0 H ARG A 105 -4.078 7.880 -8.035 1.00 0.83 H new ATOM 0 HA ARG A 105 -2.121 6.109 -9.374 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -2.854 8.669 -9.846 1.00 1.06 H new ATOM 0 HB3 ARG A 105 -1.628 9.006 -8.639 1.00 1.06 H new ATOM 0 HG2 ARG A 105 -0.302 9.008 -10.582 1.00 1.71 H new ATOM 0 HG3 ARG A 105 -0.134 7.331 -10.100 1.00 1.71 H new ATOM 0 HD2 ARG A 105 -0.700 7.499 -12.523 1.00 1.99 H new ATOM 0 HD3 ARG A 105 -1.972 6.670 -11.648 1.00 1.99 H new ATOM 0 HE ARG A 105 -2.798 9.366 -11.572 1.00 2.86 H new ATOM 0 HH11 ARG A 105 -1.755 7.072 -13.996 1.00 3.73 H new ATOM 0 HH12 ARG A 105 -2.772 7.762 -15.265 1.00 3.73 H new ATOM 0 HH21 ARG A 105 -4.105 10.242 -13.195 1.00 4.61 H new ATOM 0 HH22 ARG A 105 -4.090 9.540 -14.816 1.00 4.61 H new ATOM 790 N ARG A 106 -1.834 6.954 -6.283 1.00 0.71 N ATOM 791 CA ARG A 106 -0.971 6.797 -5.074 1.00 0.65 C ATOM 792 C ARG A 106 -0.342 5.395 -5.047 1.00 0.54 C ATOM 793 O ARG A 106 0.821 5.240 -4.732 1.00 0.50 O ATOM 794 CB ARG A 106 -1.820 7.014 -3.810 1.00 0.70 C ATOM 795 CG ARG A 106 -1.941 8.515 -3.505 1.00 1.01 C ATOM 796 CD ARG A 106 -2.465 9.261 -4.738 1.00 1.24 C ATOM 797 NE ARG A 106 -3.046 10.568 -4.317 1.00 1.86 N ATOM 798 CZ ARG A 106 -3.267 11.501 -5.203 1.00 2.48 C ATOM 799 NH1 ARG A 106 -2.962 11.299 -6.455 1.00 2.86 N ATOM 800 NH2 ARG A 106 -3.790 12.639 -4.836 1.00 3.29 N ATOM 0 H ARG A 106 -2.797 7.232 -6.095 1.00 0.71 H new ATOM 0 HA ARG A 106 -0.171 7.537 -5.107 1.00 0.65 H new ATOM 0 HB2 ARG A 106 -2.811 6.583 -3.950 1.00 0.70 H new ATOM 0 HB3 ARG A 106 -1.365 6.499 -2.964 1.00 0.70 H new ATOM 0 HG2 ARG A 106 -2.615 8.670 -2.663 1.00 1.01 H new ATOM 0 HG3 ARG A 106 -0.970 8.915 -3.214 1.00 1.01 H new ATOM 0 HD2 ARG A 106 -1.656 9.423 -5.450 1.00 1.24 H new ATOM 0 HD3 ARG A 106 -3.221 8.661 -5.245 1.00 1.24 H new ATOM 0 HE ARG A 106 -3.271 10.733 -3.336 1.00 1.86 H new ATOM 0 HH11 ARG A 106 -2.550 10.411 -6.743 1.00 2.86 H new ATOM 0 HH12 ARG A 106 -3.135 12.029 -7.146 1.00 2.86 H new ATOM 0 HH21 ARG A 106 -4.026 12.800 -3.857 1.00 3.29 H new ATOM 0 HH22 ARG A 106 -3.963 13.368 -5.528 1.00 3.29 H new ATOM 814 N GLN A 107 -1.092 4.373 -5.366 1.00 0.55 N ATOM 815 CA GLN A 107 -0.511 2.997 -5.343 1.00 0.52 C ATOM 816 C GLN A 107 0.624 2.908 -6.367 1.00 0.49 C ATOM 817 O GLN A 107 1.670 2.348 -6.108 1.00 0.44 O ATOM 818 CB GLN A 107 -1.587 1.975 -5.708 1.00 0.63 C ATOM 819 CG GLN A 107 -2.149 2.284 -7.099 1.00 1.11 C ATOM 820 CD GLN A 107 -3.470 1.539 -7.296 1.00 1.53 C ATOM 821 OE1 GLN A 107 -3.837 0.646 -6.416 1.00 2.13 O flip ATOM 822 NE2 GLN A 107 -4.176 1.770 -8.257 1.00 2.12 N flip ATOM 0 H GLN A 107 -2.073 4.429 -5.639 1.00 0.55 H new ATOM 0 HA GLN A 107 -0.130 2.787 -4.344 1.00 0.52 H new ATOM 0 HB2 GLN A 107 -1.166 0.970 -5.691 1.00 0.63 H new ATOM 0 HB3 GLN A 107 -2.388 1.998 -4.969 1.00 0.63 H new ATOM 0 HG2 GLN A 107 -2.305 3.357 -7.209 1.00 1.11 H new ATOM 0 HG3 GLN A 107 -1.434 1.986 -7.866 1.00 1.11 H new ATOM 0 HE21 GLN A 107 -3.890 2.467 -8.944 1.00 2.12 H new ATOM 0 HE22 GLN A 107 -5.055 1.267 -8.377 1.00 2.12 H new ATOM 831 N ASP A 108 0.418 3.457 -7.530 1.00 0.56 N ATOM 832 CA ASP A 108 1.472 3.406 -8.583 1.00 0.59 C ATOM 833 C ASP A 108 2.771 4.013 -8.045 1.00 0.54 C ATOM 834 O ASP A 108 3.815 3.392 -8.072 1.00 0.54 O ATOM 835 CB ASP A 108 1.008 4.205 -9.802 1.00 0.72 C ATOM 836 CG ASP A 108 -0.224 3.536 -10.414 1.00 0.81 C ATOM 837 OD1 ASP A 108 -1.306 3.738 -9.888 1.00 1.42 O ATOM 838 OD2 ASP A 108 -0.064 2.836 -11.401 1.00 1.33 O ATOM 0 H ASP A 108 -0.438 3.941 -7.799 1.00 0.56 H new ATOM 0 HA ASP A 108 1.649 2.369 -8.867 1.00 0.59 H new ATOM 0 HB2 ASP A 108 0.772 5.228 -9.510 1.00 0.72 H new ATOM 0 HB3 ASP A 108 1.809 4.260 -10.540 1.00 0.72 H new ATOM 843 N ILE A 109 2.715 5.222 -7.562 1.00 0.55 N ATOM 844 CA ILE A 109 3.947 5.873 -7.029 1.00 0.54 C ATOM 845 C ILE A 109 4.630 4.944 -6.023 1.00 0.47 C ATOM 846 O ILE A 109 5.832 4.770 -6.042 1.00 0.53 O ATOM 847 CB ILE A 109 3.567 7.179 -6.331 1.00 0.59 C ATOM 848 CG1 ILE A 109 2.914 8.126 -7.339 1.00 0.70 C ATOM 849 CG2 ILE A 109 4.823 7.836 -5.757 1.00 0.63 C ATOM 850 CD1 ILE A 109 2.291 9.308 -6.597 1.00 1.47 C ATOM 0 H ILE A 109 1.869 5.790 -7.513 1.00 0.55 H new ATOM 0 HA ILE A 109 4.631 6.079 -7.853 1.00 0.54 H new ATOM 0 HB ILE A 109 2.866 6.967 -5.524 1.00 0.59 H new ATOM 0 HG12 ILE A 109 3.656 8.482 -8.054 1.00 0.70 H new ATOM 0 HG13 ILE A 109 2.150 7.597 -7.909 1.00 0.70 H new ATOM 0 HG21 ILE A 109 4.552 8.767 -5.259 1.00 0.63 H new ATOM 0 HG22 ILE A 109 5.289 7.163 -5.038 1.00 0.63 H new ATOM 0 HG23 ILE A 109 5.524 8.047 -6.564 1.00 0.63 H new ATOM 0 HD11 ILE A 109 1.825 9.984 -7.315 1.00 1.47 H new ATOM 0 HD12 ILE A 109 1.537 8.943 -5.900 1.00 1.47 H new ATOM 0 HD13 ILE A 109 3.066 9.841 -6.047 1.00 1.47 H new ATOM 862 N LEU A 110 3.874 4.356 -5.140 1.00 0.43 N ATOM 863 CA LEU A 110 4.479 3.447 -4.127 1.00 0.39 C ATOM 864 C LEU A 110 5.327 2.383 -4.830 1.00 0.38 C ATOM 865 O LEU A 110 6.535 2.371 -4.724 1.00 0.38 O ATOM 866 CB LEU A 110 3.357 2.774 -3.323 1.00 0.42 C ATOM 867 CG LEU A 110 3.938 1.753 -2.330 1.00 0.44 C ATOM 868 CD1 LEU A 110 4.944 2.437 -1.393 1.00 0.56 C ATOM 869 CD2 LEU A 110 2.791 1.157 -1.505 1.00 0.66 C ATOM 0 H LEU A 110 2.862 4.465 -5.075 1.00 0.43 H new ATOM 0 HA LEU A 110 5.117 4.019 -3.453 1.00 0.39 H new ATOM 0 HB2 LEU A 110 2.786 3.529 -2.783 1.00 0.42 H new ATOM 0 HB3 LEU A 110 2.665 2.276 -4.002 1.00 0.42 H new ATOM 0 HG LEU A 110 4.453 0.965 -2.880 1.00 0.44 H new ATOM 0 HD11 LEU A 110 5.348 1.704 -0.695 1.00 0.56 H new ATOM 0 HD12 LEU A 110 5.756 2.864 -1.981 1.00 0.56 H new ATOM 0 HD13 LEU A 110 4.443 3.229 -0.837 1.00 0.56 H new ATOM 0 HD21 LEU A 110 3.191 0.431 -0.797 1.00 0.66 H new ATOM 0 HD22 LEU A 110 2.283 1.953 -0.961 1.00 0.66 H new ATOM 0 HD23 LEU A 110 2.083 0.663 -2.170 1.00 0.66 H new ATOM 881 N ASP A 111 4.700 1.485 -5.538 1.00 0.40 N ATOM 882 CA ASP A 111 5.463 0.406 -6.233 1.00 0.42 C ATOM 883 C ASP A 111 6.694 0.982 -6.940 1.00 0.43 C ATOM 884 O ASP A 111 7.793 0.487 -6.784 1.00 0.42 O ATOM 885 CB ASP A 111 4.556 -0.268 -7.266 1.00 0.50 C ATOM 886 CG ASP A 111 3.308 -0.816 -6.572 1.00 0.59 C ATOM 887 OD1 ASP A 111 3.411 -1.181 -5.413 1.00 1.19 O ATOM 888 OD2 ASP A 111 2.270 -0.861 -7.212 1.00 1.30 O ATOM 0 H ASP A 111 3.689 1.450 -5.667 1.00 0.40 H new ATOM 0 HA ASP A 111 5.794 -0.321 -5.492 1.00 0.42 H new ATOM 0 HB2 ASP A 111 4.271 0.448 -8.037 1.00 0.50 H new ATOM 0 HB3 ASP A 111 5.092 -1.076 -7.764 1.00 0.50 H new ATOM 893 N LEU A 112 6.526 2.007 -7.730 1.00 0.48 N ATOM 894 CA LEU A 112 7.698 2.584 -8.453 1.00 0.52 C ATOM 895 C LEU A 112 8.701 3.173 -7.457 1.00 0.48 C ATOM 896 O LEU A 112 9.886 2.926 -7.547 1.00 0.47 O ATOM 897 CB LEU A 112 7.221 3.679 -9.412 1.00 0.60 C ATOM 898 CG LEU A 112 8.355 4.061 -10.384 1.00 0.70 C ATOM 899 CD1 LEU A 112 8.504 3.002 -11.493 1.00 1.45 C ATOM 900 CD2 LEU A 112 8.039 5.420 -11.020 1.00 1.26 C ATOM 0 H LEU A 112 5.634 2.469 -7.906 1.00 0.48 H new ATOM 0 HA LEU A 112 8.189 1.792 -9.018 1.00 0.52 H new ATOM 0 HB2 LEU A 112 6.353 3.330 -9.972 1.00 0.60 H new ATOM 0 HB3 LEU A 112 6.905 4.556 -8.847 1.00 0.60 H new ATOM 0 HG LEU A 112 9.290 4.115 -9.826 1.00 0.70 H new ATOM 0 HD11 LEU A 112 9.310 3.292 -12.167 1.00 1.45 H new ATOM 0 HD12 LEU A 112 8.736 2.036 -11.045 1.00 1.45 H new ATOM 0 HD13 LEU A 112 7.572 2.928 -12.053 1.00 1.45 H new ATOM 0 HD21 LEU A 112 8.838 5.694 -11.708 1.00 1.26 H new ATOM 0 HD22 LEU A 112 7.097 5.357 -11.565 1.00 1.26 H new ATOM 0 HD23 LEU A 112 7.957 6.177 -10.240 1.00 1.26 H new ATOM 912 N TRP A 113 8.248 3.948 -6.509 1.00 0.48 N ATOM 913 CA TRP A 113 9.205 4.537 -5.528 1.00 0.48 C ATOM 914 C TRP A 113 10.077 3.424 -4.945 1.00 0.43 C ATOM 915 O TRP A 113 11.285 3.541 -4.882 1.00 0.45 O ATOM 916 CB TRP A 113 8.435 5.234 -4.403 1.00 0.52 C ATOM 917 CG TRP A 113 9.401 5.732 -3.372 1.00 0.56 C ATOM 918 CD1 TRP A 113 10.055 6.915 -3.424 1.00 0.66 C ATOM 919 CD2 TRP A 113 9.832 5.082 -2.141 1.00 0.55 C ATOM 920 NE1 TRP A 113 10.861 7.031 -2.305 1.00 0.70 N ATOM 921 CE2 TRP A 113 10.757 5.925 -1.483 1.00 0.65 C ATOM 922 CE3 TRP A 113 9.511 3.855 -1.540 1.00 0.51 C ATOM 923 CZ2 TRP A 113 11.343 5.560 -0.269 1.00 0.70 C ATOM 924 CZ3 TRP A 113 10.096 3.482 -0.320 1.00 0.58 C ATOM 925 CH2 TRP A 113 11.012 4.333 0.315 1.00 0.67 C ATOM 0 H TRP A 113 7.268 4.197 -6.371 1.00 0.48 H new ATOM 0 HA TRP A 113 9.836 5.270 -6.031 1.00 0.48 H new ATOM 0 HB2 TRP A 113 7.855 6.065 -4.805 1.00 0.52 H new ATOM 0 HB3 TRP A 113 7.727 4.541 -3.949 1.00 0.52 H new ATOM 0 HD1 TRP A 113 9.963 7.649 -4.211 1.00 0.66 H new ATOM 0 HE1 TRP A 113 11.459 7.834 -2.111 1.00 0.70 H new ATOM 0 HE3 TRP A 113 8.807 3.192 -2.021 1.00 0.51 H new ATOM 0 HZ2 TRP A 113 12.047 6.221 0.215 1.00 0.70 H new ATOM 0 HZ3 TRP A 113 9.840 2.535 0.132 1.00 0.58 H new ATOM 0 HH2 TRP A 113 11.461 4.042 1.253 1.00 0.67 H new ATOM 936 N ILE A 114 9.481 2.341 -4.524 1.00 0.39 N ATOM 937 CA ILE A 114 10.293 1.228 -3.959 1.00 0.37 C ATOM 938 C ILE A 114 11.303 0.760 -5.011 1.00 0.39 C ATOM 939 O ILE A 114 12.356 0.245 -4.690 1.00 0.44 O ATOM 940 CB ILE A 114 9.380 0.062 -3.563 1.00 0.37 C ATOM 941 CG1 ILE A 114 8.305 0.565 -2.595 1.00 0.37 C ATOM 942 CG2 ILE A 114 10.210 -1.024 -2.873 1.00 0.42 C ATOM 943 CD1 ILE A 114 7.304 -0.552 -2.299 1.00 1.00 C ATOM 0 H ILE A 114 8.474 2.180 -4.547 1.00 0.39 H new ATOM 0 HA ILE A 114 10.821 1.578 -3.072 1.00 0.37 H new ATOM 0 HB ILE A 114 8.908 -0.349 -4.455 1.00 0.37 H new ATOM 0 HG12 ILE A 114 8.768 0.904 -1.669 1.00 0.37 H new ATOM 0 HG13 ILE A 114 7.788 1.423 -3.026 1.00 0.37 H new ATOM 0 HG21 ILE A 114 9.561 -1.853 -2.591 1.00 0.42 H new ATOM 0 HG22 ILE A 114 10.981 -1.382 -3.556 1.00 0.42 H new ATOM 0 HG23 ILE A 114 10.680 -0.611 -1.980 1.00 0.42 H new ATOM 0 HD11 ILE A 114 6.543 -0.186 -1.610 1.00 1.00 H new ATOM 0 HD12 ILE A 114 6.830 -0.871 -3.227 1.00 1.00 H new ATOM 0 HD13 ILE A 114 7.825 -1.397 -1.849 1.00 1.00 H new ATOM 955 N TYR A 115 10.990 0.924 -6.268 1.00 0.40 N ATOM 956 CA TYR A 115 11.938 0.483 -7.330 1.00 0.46 C ATOM 957 C TYR A 115 13.201 1.357 -7.302 1.00 0.51 C ATOM 958 O TYR A 115 14.284 0.892 -7.009 1.00 0.54 O ATOM 959 CB TYR A 115 11.257 0.597 -8.701 1.00 0.53 C ATOM 960 CG TYR A 115 11.978 -0.276 -9.705 1.00 0.59 C ATOM 961 CD1 TYR A 115 11.784 -1.664 -9.691 1.00 0.56 C ATOM 962 CD2 TYR A 115 12.842 0.299 -10.646 1.00 0.74 C ATOM 963 CE1 TYR A 115 12.452 -2.474 -10.617 1.00 0.65 C ATOM 964 CE2 TYR A 115 13.510 -0.513 -11.572 1.00 0.82 C ATOM 965 CZ TYR A 115 13.313 -1.899 -11.557 1.00 0.77 C ATOM 966 OH TYR A 115 13.973 -2.699 -12.469 1.00 0.87 O ATOM 0 H TYR A 115 10.123 1.342 -6.604 1.00 0.40 H new ATOM 0 HA TYR A 115 12.222 -0.554 -7.151 1.00 0.46 H new ATOM 0 HB2 TYR A 115 10.213 0.294 -8.625 1.00 0.53 H new ATOM 0 HB3 TYR A 115 11.264 1.634 -9.036 1.00 0.53 H new ATOM 0 HD1 TYR A 115 11.119 -2.109 -8.966 1.00 0.56 H new ATOM 0 HD2 TYR A 115 12.993 1.368 -10.658 1.00 0.74 H new ATOM 0 HE1 TYR A 115 12.302 -3.544 -10.605 1.00 0.65 H new ATOM 0 HE2 TYR A 115 14.177 -0.070 -12.297 1.00 0.82 H new ATOM 0 HH TYR A 115 14.530 -2.141 -13.051 1.00 0.87 H new ATOM 976 N HIS A 116 13.068 2.618 -7.620 1.00 0.58 N ATOM 977 CA HIS A 116 14.255 3.531 -7.632 1.00 0.67 C ATOM 978 C HIS A 116 14.823 3.716 -6.222 1.00 0.67 C ATOM 979 O HIS A 116 15.422 4.731 -5.925 1.00 0.81 O ATOM 980 CB HIS A 116 13.843 4.895 -8.190 1.00 0.79 C ATOM 981 CG HIS A 116 13.102 4.708 -9.485 1.00 1.20 C ATOM 982 ND1 HIS A 116 13.648 4.019 -10.555 1.00 1.99 N ATOM 983 CD2 HIS A 116 11.857 5.118 -9.896 1.00 2.05 C ATOM 984 CE1 HIS A 116 12.743 4.033 -11.550 1.00 2.71 C ATOM 985 NE2 HIS A 116 11.633 4.689 -11.201 1.00 2.74 N ATOM 0 H HIS A 116 12.184 3.059 -7.874 1.00 0.58 H new ATOM 0 HA HIS A 116 15.025 3.083 -8.260 1.00 0.67 H new ATOM 0 HB2 HIS A 116 13.212 5.418 -7.471 1.00 0.79 H new ATOM 0 HB3 HIS A 116 14.725 5.515 -8.350 1.00 0.79 H new ATOM 0 HD1 HIS A 116 14.569 3.581 -10.583 1.00 1.99 H new ATOM 0 HD2 HIS A 116 11.159 5.686 -9.298 1.00 2.05 H new ATOM 0 HE1 HIS A 116 12.895 3.570 -12.514 1.00 2.71 H new ATOM 993 N THR A 117 14.669 2.740 -5.360 1.00 0.63 N ATOM 994 CA THR A 117 15.238 2.838 -3.973 1.00 0.68 C ATOM 995 C THR A 117 16.116 1.608 -3.735 1.00 0.66 C ATOM 996 O THR A 117 17.298 1.612 -4.015 1.00 0.73 O ATOM 997 CB THR A 117 14.117 2.869 -2.930 1.00 0.80 C ATOM 998 OG1 THR A 117 13.116 1.934 -3.285 1.00 0.85 O ATOM 999 CG2 THR A 117 13.510 4.272 -2.863 1.00 0.91 C ATOM 0 H THR A 117 14.170 1.872 -5.557 1.00 0.63 H new ATOM 0 HA THR A 117 15.818 3.756 -3.879 1.00 0.68 H new ATOM 0 HB THR A 117 14.526 2.610 -1.954 1.00 0.80 H new ATOM 0 HG1 THR A 117 13.429 1.389 -4.037 1.00 0.85 H new ATOM 0 HG21 THR A 117 12.713 4.289 -2.120 1.00 0.91 H new ATOM 0 HG22 THR A 117 14.282 4.989 -2.584 1.00 0.91 H new ATOM 0 HG23 THR A 117 13.102 4.539 -3.838 1.00 0.91 H new ATOM 1007 N GLN A 118 15.538 0.546 -3.233 1.00 0.73 N ATOM 1008 CA GLN A 118 16.330 -0.696 -2.990 1.00 0.83 C ATOM 1009 C GLN A 118 16.338 -1.539 -4.273 1.00 0.72 C ATOM 1010 O GLN A 118 17.071 -2.500 -4.394 1.00 0.91 O ATOM 1011 CB GLN A 118 15.705 -1.492 -1.829 1.00 1.06 C ATOM 1012 CG GLN A 118 15.049 -0.529 -0.828 1.00 1.48 C ATOM 1013 CD GLN A 118 13.664 -0.093 -1.329 1.00 2.12 C ATOM 1014 OE1 GLN A 118 13.183 -0.594 -2.436 1.00 2.89 O flip ATOM 1015 NE2 GLN A 118 13.011 0.716 -0.700 1.00 2.13 N flip ATOM 0 H GLN A 118 14.551 0.486 -2.981 1.00 0.73 H new ATOM 0 HA GLN A 118 17.354 -0.439 -2.721 1.00 0.83 H new ATOM 0 HB2 GLN A 118 14.963 -2.191 -2.214 1.00 1.06 H new ATOM 0 HB3 GLN A 118 16.471 -2.084 -1.329 1.00 1.06 H new ATOM 0 HG2 GLN A 118 14.955 -1.014 0.144 1.00 1.48 H new ATOM 0 HG3 GLN A 118 15.683 0.346 -0.687 1.00 1.48 H new ATOM 0 HE21 GLN A 118 13.382 1.110 0.165 1.00 2.13 H new ATOM 0 HE22 GLN A 118 12.091 1.001 -1.037 1.00 2.13 H new ATOM 1024 N GLY A 119 15.537 -1.169 -5.239 1.00 0.86 N ATOM 1025 CA GLY A 119 15.506 -1.926 -6.525 1.00 0.85 C ATOM 1026 C GLY A 119 14.732 -3.241 -6.380 1.00 0.65 C ATOM 1027 O GLY A 119 15.077 -4.233 -6.986 1.00 0.67 O ATOM 0 H GLY A 119 14.901 -0.373 -5.192 1.00 0.86 H new ATOM 0 HA2 GLY A 119 15.044 -1.313 -7.299 1.00 0.85 H new ATOM 0 HA3 GLY A 119 16.525 -2.136 -6.851 1.00 0.85 H new ATOM 1031 N TYR A 120 13.684 -3.270 -5.600 1.00 0.54 N ATOM 1032 CA TYR A 120 12.911 -4.543 -5.459 1.00 0.44 C ATOM 1033 C TYR A 120 12.014 -4.733 -6.689 1.00 0.49 C ATOM 1034 O TYR A 120 11.387 -3.805 -7.158 1.00 0.70 O ATOM 1035 CB TYR A 120 12.028 -4.492 -4.203 1.00 0.48 C ATOM 1036 CG TYR A 120 12.855 -4.786 -2.968 1.00 0.52 C ATOM 1037 CD1 TYR A 120 13.483 -6.030 -2.818 1.00 0.58 C ATOM 1038 CD2 TYR A 120 12.990 -3.813 -1.971 1.00 0.60 C ATOM 1039 CE1 TYR A 120 14.245 -6.295 -1.673 1.00 0.71 C ATOM 1040 CE2 TYR A 120 13.751 -4.077 -0.829 1.00 0.71 C ATOM 1041 CZ TYR A 120 14.380 -5.319 -0.680 1.00 0.75 C ATOM 1042 OH TYR A 120 15.132 -5.579 0.447 1.00 0.91 O ATOM 0 H TYR A 120 13.332 -2.480 -5.060 1.00 0.54 H new ATOM 0 HA TYR A 120 13.613 -5.373 -5.373 1.00 0.44 H new ATOM 0 HB2 TYR A 120 11.566 -3.509 -4.114 1.00 0.48 H new ATOM 0 HB3 TYR A 120 11.219 -5.218 -4.289 1.00 0.48 H new ATOM 0 HD1 TYR A 120 13.379 -6.784 -3.585 1.00 0.58 H new ATOM 0 HD2 TYR A 120 12.504 -2.855 -2.085 1.00 0.60 H new ATOM 0 HE1 TYR A 120 14.729 -7.254 -1.557 1.00 0.71 H new ATOM 0 HE2 TYR A 120 13.854 -3.324 -0.062 1.00 0.71 H new ATOM 0 HH TYR A 120 15.123 -4.795 1.035 1.00 0.91 H new ATOM 1052 N PHE A 121 11.933 -5.933 -7.199 1.00 0.48 N ATOM 1053 CA PHE A 121 11.058 -6.182 -8.381 1.00 0.57 C ATOM 1054 C PHE A 121 9.617 -6.371 -7.879 1.00 0.55 C ATOM 1055 O PHE A 121 9.401 -7.036 -6.885 1.00 0.59 O ATOM 1056 CB PHE A 121 11.514 -7.459 -9.094 1.00 0.68 C ATOM 1057 CG PHE A 121 10.746 -7.623 -10.384 1.00 1.42 C ATOM 1058 CD1 PHE A 121 9.494 -8.250 -10.377 1.00 2.33 C ATOM 1059 CD2 PHE A 121 11.286 -7.152 -11.586 1.00 2.32 C ATOM 1060 CE1 PHE A 121 8.782 -8.404 -11.573 1.00 3.43 C ATOM 1061 CE2 PHE A 121 10.574 -7.306 -12.783 1.00 3.44 C ATOM 1062 CZ PHE A 121 9.322 -7.932 -12.775 1.00 3.85 C ATOM 0 H PHE A 121 12.434 -6.750 -6.849 1.00 0.48 H new ATOM 0 HA PHE A 121 11.114 -5.343 -9.075 1.00 0.57 H new ATOM 0 HB2 PHE A 121 12.583 -7.410 -9.300 1.00 0.68 H new ATOM 0 HB3 PHE A 121 11.352 -8.324 -8.451 1.00 0.68 H new ATOM 0 HD1 PHE A 121 9.078 -8.615 -9.450 1.00 2.33 H new ATOM 0 HD2 PHE A 121 12.252 -6.669 -11.591 1.00 2.32 H new ATOM 0 HE1 PHE A 121 7.816 -8.887 -11.568 1.00 3.43 H new ATOM 0 HE2 PHE A 121 10.991 -6.942 -13.711 1.00 3.44 H new ATOM 0 HZ PHE A 121 8.772 -8.051 -13.697 1.00 3.85 H new ATOM 1072 N PRO A 122 8.631 -5.801 -8.535 1.00 0.64 N ATOM 1073 CA PRO A 122 7.213 -5.939 -8.093 1.00 0.67 C ATOM 1074 C PRO A 122 6.639 -7.328 -8.399 1.00 0.73 C ATOM 1075 O PRO A 122 6.235 -7.621 -9.507 1.00 1.19 O ATOM 1076 CB PRO A 122 6.481 -4.850 -8.886 1.00 0.80 C ATOM 1077 CG PRO A 122 7.277 -4.701 -10.142 1.00 1.05 C ATOM 1078 CD PRO A 122 8.736 -4.969 -9.753 1.00 0.87 C ATOM 0 HA PRO A 122 7.108 -5.829 -7.014 1.00 0.67 H new ATOM 0 HB2 PRO A 122 5.452 -5.139 -9.100 1.00 0.80 H new ATOM 0 HB3 PRO A 122 6.440 -3.914 -8.329 1.00 0.80 H new ATOM 0 HG2 PRO A 122 6.941 -5.405 -10.903 1.00 1.05 H new ATOM 0 HG3 PRO A 122 7.162 -3.701 -10.560 1.00 1.05 H new ATOM 0 HD2 PRO A 122 9.272 -5.489 -10.547 1.00 0.87 H new ATOM 0 HD3 PRO A 122 9.275 -4.042 -9.558 1.00 0.87 H new ATOM 1086 N ASP A 123 6.593 -8.174 -7.410 1.00 0.56 N ATOM 1087 CA ASP A 123 6.040 -9.543 -7.599 1.00 0.64 C ATOM 1088 C ASP A 123 5.525 -10.024 -6.248 1.00 0.58 C ATOM 1089 O ASP A 123 5.405 -11.206 -5.992 1.00 0.65 O ATOM 1090 CB ASP A 123 7.139 -10.485 -8.097 1.00 0.74 C ATOM 1091 CG ASP A 123 8.410 -10.269 -7.275 1.00 0.77 C ATOM 1092 OD1 ASP A 123 8.379 -9.443 -6.378 1.00 1.27 O ATOM 1093 OD2 ASP A 123 9.393 -10.935 -7.555 1.00 1.38 O ATOM 0 H ASP A 123 6.920 -7.972 -6.465 1.00 0.56 H new ATOM 0 HA ASP A 123 5.236 -9.531 -8.335 1.00 0.64 H new ATOM 0 HB2 ASP A 123 6.810 -11.521 -8.012 1.00 0.74 H new ATOM 0 HB3 ASP A 123 7.340 -10.300 -9.152 1.00 0.74 H new ATOM 1098 N TRP A 124 5.236 -9.092 -5.376 1.00 0.53 N ATOM 1099 CA TRP A 124 4.737 -9.432 -4.010 1.00 0.52 C ATOM 1100 C TRP A 124 3.436 -8.682 -3.747 1.00 0.51 C ATOM 1101 O TRP A 124 2.702 -8.977 -2.824 1.00 0.55 O ATOM 1102 CB TRP A 124 5.782 -8.983 -2.992 1.00 0.49 C ATOM 1103 CG TRP A 124 6.026 -7.519 -3.180 1.00 0.43 C ATOM 1104 CD1 TRP A 124 6.973 -6.980 -3.988 1.00 0.44 C ATOM 1105 CD2 TRP A 124 5.316 -6.397 -2.580 1.00 0.42 C ATOM 1106 NE1 TRP A 124 6.893 -5.602 -3.910 1.00 0.42 N ATOM 1107 CE2 TRP A 124 5.889 -5.194 -3.056 1.00 0.41 C ATOM 1108 CE3 TRP A 124 4.244 -6.308 -1.674 1.00 0.51 C ATOM 1109 CZ2 TRP A 124 5.413 -3.947 -2.651 1.00 0.46 C ATOM 1110 CZ3 TRP A 124 3.763 -5.054 -1.264 1.00 0.58 C ATOM 1111 CH2 TRP A 124 4.347 -3.877 -1.751 1.00 0.55 C ATOM 0 H TRP A 124 5.327 -8.092 -5.557 1.00 0.53 H new ATOM 0 HA TRP A 124 4.562 -10.505 -3.930 1.00 0.52 H new ATOM 0 HB2 TRP A 124 5.434 -9.182 -1.978 1.00 0.49 H new ATOM 0 HB3 TRP A 124 6.708 -9.542 -3.127 1.00 0.49 H new ATOM 0 HD1 TRP A 124 7.674 -7.536 -4.593 1.00 0.44 H new ATOM 0 HE1 TRP A 124 7.502 -4.964 -4.422 1.00 0.42 H new ATOM 0 HE3 TRP A 124 3.788 -7.209 -1.291 1.00 0.51 H new ATOM 0 HZ2 TRP A 124 5.865 -3.043 -3.030 1.00 0.46 H new ATOM 0 HZ3 TRP A 124 2.938 -4.996 -0.569 1.00 0.58 H new ATOM 0 HH2 TRP A 124 3.973 -2.916 -1.431 1.00 0.55 H new ATOM 1122 N GLN A 125 3.158 -7.712 -4.554 1.00 0.53 N ATOM 1123 CA GLN A 125 1.915 -6.910 -4.377 1.00 0.60 C ATOM 1124 C GLN A 125 0.713 -7.698 -4.910 1.00 0.66 C ATOM 1125 O GLN A 125 0.273 -7.496 -6.025 1.00 0.84 O ATOM 1126 CB GLN A 125 2.056 -5.582 -5.131 1.00 0.69 C ATOM 1127 CG GLN A 125 2.761 -5.824 -6.467 1.00 1.56 C ATOM 1128 CD GLN A 125 2.619 -4.583 -7.352 1.00 2.18 C ATOM 1129 OE1 GLN A 125 3.577 -3.699 -7.372 1.00 2.78 O flip ATOM 1130 NE2 GLN A 125 1.625 -4.419 -8.032 1.00 2.82 N flip ATOM 0 H GLN A 125 3.742 -7.431 -5.342 1.00 0.53 H new ATOM 0 HA GLN A 125 1.758 -6.704 -3.318 1.00 0.60 H new ATOM 0 HB2 GLN A 125 1.073 -5.142 -5.301 1.00 0.69 H new ATOM 0 HB3 GLN A 125 2.624 -4.870 -4.532 1.00 0.69 H new ATOM 0 HG2 GLN A 125 3.815 -6.045 -6.299 1.00 1.56 H new ATOM 0 HG3 GLN A 125 2.329 -6.691 -6.966 1.00 1.56 H new ATOM 0 HE21 GLN A 125 0.876 -5.111 -8.016 1.00 2.82 H new ATOM 0 HE22 GLN A 125 1.540 -3.589 -8.619 1.00 2.82 H new ATOM 1139 N ASN A 126 0.180 -8.592 -4.112 1.00 0.64 N ATOM 1140 CA ASN A 126 -1.003 -9.408 -4.542 1.00 0.72 C ATOM 1141 C ASN A 126 -2.125 -9.230 -3.515 1.00 0.69 C ATOM 1142 O ASN A 126 -1.900 -8.760 -2.419 1.00 1.22 O ATOM 1143 CB ASN A 126 -0.596 -10.884 -4.615 1.00 0.84 C ATOM 1144 CG ASN A 126 0.764 -11.007 -5.304 1.00 0.89 C ATOM 1145 OD1 ASN A 126 1.158 -10.068 -6.122 1.00 1.53 O flip ATOM 1146 ND2 ASN A 126 1.479 -11.966 -5.093 1.00 0.88 N flip ATOM 0 H ASN A 126 0.517 -8.794 -3.171 1.00 0.64 H new ATOM 0 HA ASN A 126 -1.350 -9.082 -5.523 1.00 0.72 H new ATOM 0 HB2 ASN A 126 -0.547 -11.308 -3.612 1.00 0.84 H new ATOM 0 HB3 ASN A 126 -1.346 -11.452 -5.165 1.00 0.84 H new ATOM 0 HD21 ASN A 126 1.173 -12.700 -4.454 1.00 0.88 H new ATOM 0 HD22 ASN A 126 2.386 -12.037 -5.554 1.00 0.88 H new ATOM 1153 N TYR A 127 -3.334 -9.602 -3.853 1.00 0.69 N ATOM 1154 CA TYR A 127 -4.464 -9.436 -2.886 1.00 0.61 C ATOM 1155 C TYR A 127 -5.628 -10.344 -3.301 1.00 0.63 C ATOM 1156 O TYR A 127 -5.619 -10.943 -4.358 1.00 0.75 O ATOM 1157 CB TYR A 127 -4.965 -7.968 -2.886 1.00 0.65 C ATOM 1158 CG TYR A 127 -3.848 -7.010 -3.227 1.00 0.79 C ATOM 1159 CD1 TYR A 127 -3.603 -6.659 -4.561 1.00 0.93 C ATOM 1160 CD2 TYR A 127 -3.066 -6.462 -2.207 1.00 0.98 C ATOM 1161 CE1 TYR A 127 -2.575 -5.760 -4.870 1.00 1.14 C ATOM 1162 CE2 TYR A 127 -2.037 -5.566 -2.515 1.00 1.19 C ATOM 1163 CZ TYR A 127 -1.792 -5.214 -3.845 1.00 1.23 C ATOM 1164 OH TYR A 127 -0.779 -4.326 -4.147 1.00 1.48 O ATOM 0 H TYR A 127 -3.588 -10.012 -4.752 1.00 0.69 H new ATOM 0 HA TYR A 127 -4.109 -9.700 -1.890 1.00 0.61 H new ATOM 0 HB2 TYR A 127 -5.775 -7.857 -3.607 1.00 0.65 H new ATOM 0 HB3 TYR A 127 -5.374 -7.720 -1.906 1.00 0.65 H new ATOM 0 HD1 TYR A 127 -4.207 -7.082 -5.351 1.00 0.93 H new ATOM 0 HD2 TYR A 127 -3.256 -6.731 -1.178 1.00 0.98 H new ATOM 0 HE1 TYR A 127 -2.386 -5.488 -5.898 1.00 1.14 H new ATOM 0 HE2 TYR A 127 -1.432 -5.146 -1.725 1.00 1.19 H new ATOM 0 HH TYR A 127 -0.335 -4.043 -3.320 1.00 1.48 H new ATOM 1174 N THR A 128 -6.632 -10.443 -2.471 1.00 0.62 N ATOM 1175 CA THR A 128 -7.797 -11.303 -2.812 1.00 0.68 C ATOM 1176 C THR A 128 -8.491 -10.732 -4.059 1.00 0.75 C ATOM 1177 O THR A 128 -8.491 -9.534 -4.268 1.00 0.97 O ATOM 1178 CB THR A 128 -8.779 -11.313 -1.635 1.00 0.86 C ATOM 1179 OG1 THR A 128 -9.034 -9.978 -1.223 1.00 1.22 O ATOM 1180 CG2 THR A 128 -8.176 -12.101 -0.470 1.00 0.90 C ATOM 0 H THR A 128 -6.694 -9.965 -1.572 1.00 0.62 H new ATOM 0 HA THR A 128 -7.463 -12.321 -3.013 1.00 0.68 H new ATOM 0 HB THR A 128 -9.712 -11.784 -1.944 1.00 0.86 H new ATOM 0 HG1 THR A 128 -9.663 -9.982 -0.472 1.00 1.22 H new ATOM 0 HG21 THR A 128 -8.876 -12.107 0.366 1.00 0.90 H new ATOM 0 HG22 THR A 128 -7.980 -13.125 -0.786 1.00 0.90 H new ATOM 0 HG23 THR A 128 -7.242 -11.633 -0.158 1.00 0.90 H new ATOM 1249 N ARG A 134 -9.527 -5.080 1.276 1.00 0.51 N ATOM 1250 CA ARG A 134 -8.517 -5.786 0.431 1.00 0.49 C ATOM 1251 C ARG A 134 -7.400 -6.355 1.319 1.00 0.40 C ATOM 1252 O ARG A 134 -6.554 -5.625 1.810 1.00 0.38 O ATOM 1253 CB ARG A 134 -7.936 -4.798 -0.610 1.00 0.58 C ATOM 1254 CG ARG A 134 -7.887 -5.453 -2.005 1.00 1.06 C ATOM 1255 CD ARG A 134 -7.201 -4.509 -3.021 1.00 1.37 C ATOM 1256 NE ARG A 134 -7.992 -4.458 -4.294 1.00 1.86 N ATOM 1257 CZ ARG A 134 -8.443 -5.547 -4.863 1.00 2.52 C ATOM 1258 NH1 ARG A 134 -8.129 -6.719 -4.386 1.00 2.83 N ATOM 1259 NH2 ARG A 134 -9.189 -5.461 -5.930 1.00 3.36 N ATOM 0 HA ARG A 134 -8.993 -6.613 -0.096 1.00 0.49 H new ATOM 0 HB2 ARG A 134 -8.548 -3.897 -0.646 1.00 0.58 H new ATOM 0 HB3 ARG A 134 -6.934 -4.491 -0.310 1.00 0.58 H new ATOM 0 HG2 ARG A 134 -7.344 -6.397 -1.952 1.00 1.06 H new ATOM 0 HG3 ARG A 134 -8.898 -5.685 -2.340 1.00 1.06 H new ATOM 0 HD2 ARG A 134 -7.114 -3.508 -2.598 1.00 1.37 H new ATOM 0 HD3 ARG A 134 -6.189 -4.857 -3.227 1.00 1.37 H new ATOM 0 HE ARG A 134 -8.183 -3.554 -4.726 1.00 1.86 H new ATOM 0 HH11 ARG A 134 -7.529 -6.791 -3.565 1.00 2.83 H new ATOM 0 HH12 ARG A 134 -8.484 -7.564 -4.834 1.00 2.83 H new ATOM 0 HH21 ARG A 134 -9.419 -4.547 -6.319 1.00 3.36 H new ATOM 0 HH22 ARG A 134 -9.542 -6.308 -6.375 1.00 3.36 H new ATOM 1273 N TYR A 135 -7.386 -7.653 1.517 1.00 0.41 N ATOM 1274 CA TYR A 135 -6.319 -8.280 2.355 1.00 0.39 C ATOM 1275 C TYR A 135 -5.135 -8.660 1.449 1.00 0.36 C ATOM 1276 O TYR A 135 -5.327 -8.986 0.295 1.00 0.39 O ATOM 1277 CB TYR A 135 -6.854 -9.557 3.014 1.00 0.46 C ATOM 1278 CG TYR A 135 -8.182 -9.289 3.679 1.00 0.50 C ATOM 1279 CD1 TYR A 135 -9.369 -9.420 2.949 1.00 0.72 C ATOM 1280 CD2 TYR A 135 -8.227 -8.927 5.030 1.00 0.66 C ATOM 1281 CE1 TYR A 135 -10.601 -9.190 3.572 1.00 0.91 C ATOM 1282 CE2 TYR A 135 -9.459 -8.693 5.652 1.00 0.85 C ATOM 1283 CZ TYR A 135 -10.646 -8.827 4.923 1.00 0.92 C ATOM 1284 OH TYR A 135 -11.863 -8.600 5.536 1.00 1.17 O ATOM 0 H TYR A 135 -8.070 -8.304 1.132 1.00 0.41 H new ATOM 0 HA TYR A 135 -6.006 -7.574 3.124 1.00 0.39 H new ATOM 0 HB2 TYR A 135 -6.967 -10.341 2.265 1.00 0.46 H new ATOM 0 HB3 TYR A 135 -6.138 -9.921 3.751 1.00 0.46 H new ATOM 0 HD1 TYR A 135 -9.334 -9.698 1.906 1.00 0.72 H new ATOM 0 HD2 TYR A 135 -7.311 -8.828 5.593 1.00 0.66 H new ATOM 0 HE1 TYR A 135 -11.517 -9.293 3.010 1.00 0.91 H new ATOM 0 HE2 TYR A 135 -9.493 -8.409 6.694 1.00 0.85 H new ATOM 0 HH TYR A 135 -11.717 -8.358 6.474 1.00 1.17 H new ATOM 1294 N PRO A 136 -3.922 -8.651 1.958 1.00 0.37 N ATOM 1295 CA PRO A 136 -2.722 -9.036 1.157 1.00 0.38 C ATOM 1296 C PRO A 136 -2.537 -10.556 1.104 1.00 0.37 C ATOM 1297 O PRO A 136 -2.329 -11.193 2.119 1.00 0.38 O ATOM 1298 CB PRO A 136 -1.571 -8.398 1.936 1.00 0.42 C ATOM 1299 CG PRO A 136 -2.019 -8.459 3.362 1.00 0.51 C ATOM 1300 CD PRO A 136 -3.544 -8.273 3.336 1.00 0.44 C ATOM 0 HA PRO A 136 -2.794 -8.711 0.119 1.00 0.38 H new ATOM 0 HB2 PRO A 136 -0.639 -8.943 1.787 1.00 0.42 H new ATOM 0 HB3 PRO A 136 -1.395 -7.371 1.617 1.00 0.42 H new ATOM 0 HG2 PRO A 136 -1.750 -9.413 3.815 1.00 0.51 H new ATOM 0 HG3 PRO A 136 -1.541 -7.679 3.955 1.00 0.51 H new ATOM 0 HD2 PRO A 136 -4.037 -8.906 4.074 1.00 0.44 H new ATOM 0 HD3 PRO A 136 -3.825 -7.244 3.560 1.00 0.44 H new ATOM 1308 N LEU A 137 -2.594 -11.151 -0.056 1.00 0.40 N ATOM 1309 CA LEU A 137 -2.398 -12.626 -0.114 1.00 0.43 C ATOM 1310 C LEU A 137 -0.997 -12.936 0.413 1.00 0.41 C ATOM 1311 O LEU A 137 -0.793 -13.879 1.151 1.00 0.38 O ATOM 1312 CB LEU A 137 -2.538 -13.130 -1.556 1.00 0.51 C ATOM 1313 CG LEU A 137 -4.009 -13.069 -2.004 1.00 0.59 C ATOM 1314 CD1 LEU A 137 -4.071 -13.178 -3.526 1.00 0.64 C ATOM 1315 CD2 LEU A 137 -4.820 -14.227 -1.402 1.00 0.92 C ATOM 0 H LEU A 137 -2.764 -10.690 -0.950 1.00 0.40 H new ATOM 0 HA LEU A 137 -3.153 -13.126 0.492 1.00 0.43 H new ATOM 0 HB2 LEU A 137 -1.923 -12.524 -2.221 1.00 0.51 H new ATOM 0 HB3 LEU A 137 -2.171 -14.154 -1.628 1.00 0.51 H new ATOM 0 HG LEU A 137 -4.432 -12.125 -1.661 1.00 0.59 H new ATOM 0 HD11 LEU A 137 -5.110 -13.136 -3.852 1.00 0.64 H new ATOM 0 HD12 LEU A 137 -3.517 -12.353 -3.973 1.00 0.64 H new ATOM 0 HD13 LEU A 137 -3.630 -14.124 -3.841 1.00 0.64 H new ATOM 0 HD21 LEU A 137 -5.855 -14.158 -1.736 1.00 0.92 H new ATOM 0 HD22 LEU A 137 -4.396 -15.177 -1.728 1.00 0.92 H new ATOM 0 HD23 LEU A 137 -4.785 -14.169 -0.314 1.00 0.92 H new ATOM 1327 N THR A 138 -0.030 -12.133 0.055 1.00 0.50 N ATOM 1328 CA THR A 138 1.352 -12.368 0.555 1.00 0.55 C ATOM 1329 C THR A 138 1.380 -12.102 2.061 1.00 0.47 C ATOM 1330 O THR A 138 0.560 -11.378 2.590 1.00 0.50 O ATOM 1331 CB THR A 138 2.335 -11.429 -0.160 1.00 0.73 C ATOM 1332 OG1 THR A 138 1.712 -10.172 -0.378 1.00 0.98 O ATOM 1333 CG2 THR A 138 2.745 -12.038 -1.502 1.00 1.04 C ATOM 0 H THR A 138 -0.139 -11.327 -0.561 1.00 0.50 H new ATOM 0 HA THR A 138 1.647 -13.398 0.355 1.00 0.55 H new ATOM 0 HB THR A 138 3.222 -11.293 0.459 1.00 0.73 H new ATOM 0 HG1 THR A 138 2.055 -9.776 -1.206 1.00 0.98 H new ATOM 0 HG21 THR A 138 3.442 -11.370 -2.007 1.00 1.04 H new ATOM 0 HG22 THR A 138 3.224 -13.002 -1.333 1.00 1.04 H new ATOM 0 HG23 THR A 138 1.861 -12.177 -2.124 1.00 1.04 H new ATOM 1341 N PHE A 139 2.314 -12.693 2.755 1.00 0.51 N ATOM 1342 CA PHE A 139 2.405 -12.493 4.236 1.00 0.49 C ATOM 1343 C PHE A 139 3.492 -11.462 4.563 1.00 0.65 C ATOM 1344 O PHE A 139 4.400 -11.235 3.790 1.00 1.43 O ATOM 1345 CB PHE A 139 2.754 -13.830 4.894 1.00 0.52 C ATOM 1346 CG PHE A 139 2.753 -13.684 6.401 1.00 0.50 C ATOM 1347 CD1 PHE A 139 1.561 -13.382 7.074 1.00 0.67 C ATOM 1348 CD2 PHE A 139 3.940 -13.854 7.127 1.00 0.59 C ATOM 1349 CE1 PHE A 139 1.557 -13.252 8.468 1.00 0.77 C ATOM 1350 CE2 PHE A 139 3.935 -13.722 8.520 1.00 0.62 C ATOM 1351 CZ PHE A 139 2.744 -13.421 9.192 1.00 0.66 C ATOM 0 H PHE A 139 3.024 -13.310 2.360 1.00 0.51 H new ATOM 0 HA PHE A 139 1.450 -12.128 4.613 1.00 0.49 H new ATOM 0 HB2 PHE A 139 2.033 -14.591 4.594 1.00 0.52 H new ATOM 0 HB3 PHE A 139 3.733 -14.167 4.554 1.00 0.52 H new ATOM 0 HD1 PHE A 139 0.645 -13.250 6.517 1.00 0.67 H new ATOM 0 HD2 PHE A 139 4.859 -14.087 6.611 1.00 0.59 H new ATOM 0 HE1 PHE A 139 0.638 -13.021 8.986 1.00 0.77 H new ATOM 0 HE2 PHE A 139 4.851 -13.852 9.077 1.00 0.62 H new ATOM 0 HZ PHE A 139 2.741 -13.319 10.267 1.00 0.66 H new ATOM 1361 N GLY A 140 3.407 -10.841 5.711 1.00 0.46 N ATOM 1362 CA GLY A 140 4.435 -9.832 6.113 1.00 0.43 C ATOM 1363 C GLY A 140 3.941 -8.419 5.803 1.00 0.35 C ATOM 1364 O GLY A 140 4.177 -7.491 6.551 1.00 0.32 O ATOM 0 H GLY A 140 2.664 -10.990 6.393 1.00 0.46 H new ATOM 0 HA2 GLY A 140 4.648 -9.925 7.178 1.00 0.43 H new ATOM 0 HA3 GLY A 140 5.368 -10.023 5.583 1.00 0.43 H new ATOM 1368 N TRP A 141 3.261 -8.244 4.707 1.00 0.34 N ATOM 1369 CA TRP A 141 2.759 -6.881 4.352 1.00 0.29 C ATOM 1370 C TRP A 141 1.543 -6.553 5.226 1.00 0.32 C ATOM 1371 O TRP A 141 0.440 -6.996 4.976 1.00 0.40 O ATOM 1372 CB TRP A 141 2.407 -6.859 2.855 1.00 0.33 C ATOM 1373 CG TRP A 141 2.154 -5.463 2.350 1.00 0.31 C ATOM 1374 CD1 TRP A 141 1.074 -5.119 1.607 1.00 0.35 C ATOM 1375 CD2 TRP A 141 2.958 -4.237 2.490 1.00 0.28 C ATOM 1376 NE1 TRP A 141 1.147 -3.774 1.295 1.00 0.33 N ATOM 1377 CE2 TRP A 141 2.280 -3.185 1.817 1.00 0.30 C ATOM 1378 CE3 TRP A 141 4.183 -3.922 3.128 1.00 0.28 C ATOM 1379 CZ2 TRP A 141 2.790 -1.887 1.777 1.00 0.32 C ATOM 1380 CZ3 TRP A 141 4.692 -2.613 3.085 1.00 0.31 C ATOM 1381 CH2 TRP A 141 3.997 -1.600 2.413 1.00 0.33 C ATOM 0 H TRP A 141 3.029 -8.981 4.041 1.00 0.34 H new ATOM 0 HA TRP A 141 3.520 -6.123 4.536 1.00 0.29 H new ATOM 0 HB2 TRP A 141 3.221 -7.307 2.286 1.00 0.33 H new ATOM 0 HB3 TRP A 141 1.522 -7.472 2.683 1.00 0.33 H new ATOM 0 HD1 TRP A 141 0.282 -5.789 1.306 1.00 0.35 H new ATOM 0 HE1 TRP A 141 0.447 -3.277 0.745 1.00 0.33 H new ATOM 0 HE3 TRP A 141 4.729 -4.693 3.651 1.00 0.28 H new ATOM 0 HZ2 TRP A 141 2.253 -1.108 1.256 1.00 0.32 H new ATOM 0 HZ3 TRP A 141 5.628 -2.386 3.575 1.00 0.31 H new ATOM 0 HH2 TRP A 141 4.396 -0.597 2.387 1.00 0.33 H new ATOM 1392 N CYS A 142 1.759 -5.800 6.277 1.00 0.31 N ATOM 1393 CA CYS A 142 0.657 -5.450 7.215 1.00 0.40 C ATOM 1394 C CYS A 142 -0.167 -4.276 6.681 1.00 0.39 C ATOM 1395 O CYS A 142 -0.390 -3.297 7.367 1.00 0.48 O ATOM 1396 CB CYS A 142 1.269 -5.077 8.558 1.00 0.47 C ATOM 1397 SG CYS A 142 2.753 -4.081 8.280 1.00 1.45 S ATOM 0 H CYS A 142 2.668 -5.409 6.525 1.00 0.31 H new ATOM 0 HA CYS A 142 -0.009 -6.307 7.322 1.00 0.40 H new ATOM 0 HB2 CYS A 142 0.549 -4.519 9.157 1.00 0.47 H new ATOM 0 HB3 CYS A 142 1.521 -5.977 9.119 1.00 0.47 H new ATOM 0 HG CYS A 142 2.547 -2.869 8.702 1.00 1.45 H new ATOM 1403 N TYR A 143 -0.623 -4.378 5.472 1.00 0.38 N ATOM 1404 CA TYR A 143 -1.451 -3.290 4.853 1.00 0.40 C ATOM 1405 C TYR A 143 -2.926 -3.741 4.783 1.00 0.43 C ATOM 1406 O TYR A 143 -3.233 -4.868 4.462 1.00 0.65 O ATOM 1407 CB TYR A 143 -0.830 -2.969 3.457 1.00 0.55 C ATOM 1408 CG TYR A 143 -1.737 -3.364 2.299 1.00 1.43 C ATOM 1409 CD1 TYR A 143 -2.137 -4.696 2.159 1.00 2.16 C ATOM 1410 CD2 TYR A 143 -2.172 -2.409 1.371 1.00 2.17 C ATOM 1411 CE1 TYR A 143 -2.971 -5.074 1.104 1.00 3.14 C ATOM 1412 CE2 TYR A 143 -3.008 -2.786 0.313 1.00 3.14 C ATOM 1413 CZ TYR A 143 -3.412 -4.119 0.181 1.00 3.52 C ATOM 1414 OH TYR A 143 -4.236 -4.492 -0.862 1.00 4.57 O ATOM 0 H TYR A 143 -0.459 -5.182 4.866 1.00 0.38 H new ATOM 0 HA TYR A 143 -1.444 -2.376 5.447 1.00 0.40 H new ATOM 0 HB2 TYR A 143 -0.617 -1.902 3.397 1.00 0.55 H new ATOM 0 HB3 TYR A 143 0.122 -3.490 3.360 1.00 0.55 H new ATOM 0 HD1 TYR A 143 -1.800 -5.436 2.870 1.00 2.16 H new ATOM 0 HD2 TYR A 143 -1.862 -1.379 1.472 1.00 2.17 H new ATOM 0 HE1 TYR A 143 -3.276 -6.105 1.001 1.00 3.14 H new ATOM 0 HE2 TYR A 143 -3.341 -2.048 -0.401 1.00 3.14 H new ATOM 0 HH TYR A 143 -3.690 -4.779 -1.624 1.00 4.57 H new ATOM 1424 N LYS A 144 -3.845 -2.873 5.133 1.00 0.39 N ATOM 1425 CA LYS A 144 -5.299 -3.251 5.109 1.00 0.51 C ATOM 1426 C LYS A 144 -6.107 -2.139 4.423 1.00 0.43 C ATOM 1427 O LYS A 144 -6.420 -1.134 5.029 1.00 0.45 O ATOM 1428 CB LYS A 144 -5.790 -3.454 6.568 1.00 0.70 C ATOM 1429 CG LYS A 144 -6.156 -4.926 6.816 1.00 1.21 C ATOM 1430 CD LYS A 144 -6.692 -5.091 8.243 1.00 1.24 C ATOM 1431 CE LYS A 144 -7.467 -6.406 8.354 1.00 1.57 C ATOM 1432 NZ LYS A 144 -8.781 -6.267 7.662 1.00 2.32 N ATOM 0 H LYS A 144 -3.653 -1.918 5.435 1.00 0.39 H new ATOM 0 HA LYS A 144 -5.437 -4.177 4.551 1.00 0.51 H new ATOM 0 HB2 LYS A 144 -5.012 -3.145 7.266 1.00 0.70 H new ATOM 0 HB3 LYS A 144 -6.657 -2.821 6.757 1.00 0.70 H new ATOM 0 HG2 LYS A 144 -6.907 -5.251 6.095 1.00 1.21 H new ATOM 0 HG3 LYS A 144 -5.280 -5.558 6.671 1.00 1.21 H new ATOM 0 HD2 LYS A 144 -5.867 -5.083 8.955 1.00 1.24 H new ATOM 0 HD3 LYS A 144 -7.341 -4.253 8.497 1.00 1.24 H new ATOM 0 HE2 LYS A 144 -6.893 -7.218 7.908 1.00 1.57 H new ATOM 0 HE3 LYS A 144 -7.621 -6.663 9.402 1.00 1.57 H new ATOM 0 HZ1 LYS A 144 -9.540 -6.607 8.286 1.00 2.32 H new ATOM 0 HZ2 LYS A 144 -8.947 -5.267 7.429 1.00 2.32 H new ATOM 0 HZ3 LYS A 144 -8.774 -6.830 6.787 1.00 2.32 H new ATOM 1446 N LEU A 145 -6.476 -2.310 3.178 1.00 0.40 N ATOM 1447 CA LEU A 145 -7.292 -1.248 2.516 1.00 0.37 C ATOM 1448 C LEU A 145 -8.720 -1.356 3.053 1.00 0.38 C ATOM 1449 O LEU A 145 -9.199 -2.441 3.319 1.00 0.41 O ATOM 1450 CB LEU A 145 -7.282 -1.442 0.996 1.00 0.42 C ATOM 1451 CG LEU A 145 -5.962 -0.916 0.403 1.00 0.50 C ATOM 1452 CD1 LEU A 145 -5.870 -1.347 -1.065 1.00 0.63 C ATOM 1453 CD2 LEU A 145 -5.893 0.628 0.500 1.00 0.52 C ATOM 0 H LEU A 145 -6.253 -3.122 2.602 1.00 0.40 H new ATOM 0 HA LEU A 145 -6.879 -0.263 2.731 1.00 0.37 H new ATOM 0 HB2 LEU A 145 -7.402 -2.498 0.756 1.00 0.42 H new ATOM 0 HB3 LEU A 145 -8.125 -0.916 0.549 1.00 0.42 H new ATOM 0 HG LEU A 145 -5.128 -1.331 0.968 1.00 0.50 H new ATOM 0 HD11 LEU A 145 -4.938 -0.979 -1.494 1.00 0.63 H new ATOM 0 HD12 LEU A 145 -5.894 -2.435 -1.127 1.00 0.63 H new ATOM 0 HD13 LEU A 145 -6.713 -0.934 -1.619 1.00 0.63 H new ATOM 0 HD21 LEU A 145 -4.952 0.978 0.075 1.00 0.52 H new ATOM 0 HD22 LEU A 145 -6.725 1.065 -0.052 1.00 0.52 H new ATOM 0 HD23 LEU A 145 -5.953 0.930 1.546 1.00 0.52 H new ATOM 1465 N VAL A 146 -9.405 -0.253 3.238 1.00 0.43 N ATOM 1466 CA VAL A 146 -10.795 -0.327 3.795 1.00 0.50 C ATOM 1467 C VAL A 146 -11.626 0.884 3.319 1.00 0.59 C ATOM 1468 O VAL A 146 -11.326 2.006 3.675 1.00 0.63 O ATOM 1469 CB VAL A 146 -10.718 -0.257 5.327 1.00 0.56 C ATOM 1470 CG1 VAL A 146 -12.127 -0.368 5.909 1.00 0.68 C ATOM 1471 CG2 VAL A 146 -9.854 -1.397 5.872 1.00 0.56 C ATOM 0 H VAL A 146 -9.067 0.687 3.030 1.00 0.43 H new ATOM 0 HA VAL A 146 -11.258 -1.255 3.460 1.00 0.50 H new ATOM 0 HB VAL A 146 -10.269 0.694 5.614 1.00 0.56 H new ATOM 0 HG11 VAL A 146 -12.076 -0.319 6.997 1.00 0.68 H new ATOM 0 HG12 VAL A 146 -12.740 0.453 5.537 1.00 0.68 H new ATOM 0 HG13 VAL A 146 -12.571 -1.317 5.609 1.00 0.68 H new ATOM 0 HG21 VAL A 146 -9.810 -1.332 6.959 1.00 0.56 H new ATOM 0 HG22 VAL A 146 -10.289 -2.354 5.583 1.00 0.56 H new ATOM 0 HG23 VAL A 146 -8.847 -1.318 5.463 1.00 0.56 H new ATOM 1481 N PRO A 147 -12.676 0.678 2.544 1.00 0.68 N ATOM 1482 CA PRO A 147 -13.541 1.801 2.070 1.00 0.81 C ATOM 1483 C PRO A 147 -13.932 2.756 3.208 1.00 0.91 C ATOM 1484 O PRO A 147 -13.719 2.473 4.371 1.00 1.12 O ATOM 1485 CB PRO A 147 -14.782 1.094 1.509 1.00 0.87 C ATOM 1486 CG PRO A 147 -14.291 -0.246 1.068 1.00 0.97 C ATOM 1487 CD PRO A 147 -13.154 -0.621 2.026 1.00 0.75 C ATOM 0 HA PRO A 147 -13.029 2.425 1.338 1.00 0.81 H new ATOM 0 HB2 PRO A 147 -15.560 1.001 2.266 1.00 0.87 H new ATOM 0 HB3 PRO A 147 -15.212 1.651 0.677 1.00 0.87 H new ATOM 0 HG2 PRO A 147 -15.091 -0.985 1.105 1.00 0.97 H new ATOM 0 HG3 PRO A 147 -13.937 -0.211 0.038 1.00 0.97 H new ATOM 0 HD2 PRO A 147 -13.507 -1.266 2.831 1.00 0.75 H new ATOM 0 HD3 PRO A 147 -12.360 -1.161 1.510 1.00 0.75 H new ATOM 1780 N LEU A 181 -10.248 4.344 -1.011 1.00 0.58 N ATOM 1781 CA LEU A 181 -9.873 3.411 0.107 1.00 0.52 C ATOM 1782 C LEU A 181 -8.721 3.996 0.936 1.00 0.47 C ATOM 1783 O LEU A 181 -7.767 4.515 0.405 1.00 0.51 O ATOM 1784 CB LEU A 181 -9.424 2.071 -0.492 1.00 0.60 C ATOM 1785 CG LEU A 181 -10.379 1.648 -1.616 1.00 0.74 C ATOM 1786 CD1 LEU A 181 -9.901 0.323 -2.216 1.00 0.95 C ATOM 1787 CD2 LEU A 181 -11.794 1.470 -1.053 1.00 0.87 C ATOM 0 HA LEU A 181 -10.739 3.271 0.755 1.00 0.52 H new ATOM 0 HB2 LEU A 181 -8.409 2.160 -0.881 1.00 0.60 H new ATOM 0 HB3 LEU A 181 -9.402 1.306 0.284 1.00 0.60 H new ATOM 0 HG LEU A 181 -10.392 2.418 -2.388 1.00 0.74 H new ATOM 0 HD11 LEU A 181 -10.578 0.020 -3.015 1.00 0.95 H new ATOM 0 HD12 LEU A 181 -8.896 0.448 -2.620 1.00 0.95 H new ATOM 0 HD13 LEU A 181 -9.888 -0.444 -1.441 1.00 0.95 H new ATOM 0 HD21 LEU A 181 -12.469 1.170 -1.854 1.00 0.87 H new ATOM 0 HD22 LEU A 181 -11.784 0.702 -0.280 1.00 0.87 H new ATOM 0 HD23 LEU A 181 -12.136 2.412 -0.624 1.00 0.87 H new ATOM 1799 N GLU A 182 -8.797 3.904 2.240 1.00 0.45 N ATOM 1800 CA GLU A 182 -7.698 4.440 3.107 1.00 0.45 C ATOM 1801 C GLU A 182 -6.779 3.306 3.566 1.00 0.42 C ATOM 1802 O GLU A 182 -7.219 2.229 3.920 1.00 0.43 O ATOM 1803 CB GLU A 182 -8.300 5.135 4.331 1.00 0.49 C ATOM 1804 CG GLU A 182 -9.127 4.133 5.137 1.00 0.56 C ATOM 1805 CD GLU A 182 -10.002 4.884 6.142 1.00 0.90 C ATOM 1806 OE1 GLU A 182 -11.027 5.406 5.733 1.00 1.49 O ATOM 1807 OE2 GLU A 182 -9.633 4.926 7.305 1.00 1.62 O ATOM 0 H GLU A 182 -9.575 3.480 2.745 1.00 0.45 H new ATOM 0 HA GLU A 182 -7.114 5.156 2.528 1.00 0.45 H new ATOM 0 HB2 GLU A 182 -7.507 5.550 4.953 1.00 0.49 H new ATOM 0 HB3 GLU A 182 -8.927 5.969 4.016 1.00 0.49 H new ATOM 0 HG2 GLU A 182 -9.750 3.539 4.469 1.00 0.56 H new ATOM 0 HG3 GLU A 182 -8.469 3.439 5.659 1.00 0.56 H new ATOM 1814 N TRP A 183 -5.496 3.561 3.560 1.00 0.40 N ATOM 1815 CA TRP A 183 -4.507 2.534 3.992 1.00 0.38 C ATOM 1816 C TRP A 183 -4.526 2.400 5.516 1.00 0.37 C ATOM 1817 O TRP A 183 -4.092 3.280 6.230 1.00 0.43 O ATOM 1818 CB TRP A 183 -3.094 2.961 3.532 1.00 0.41 C ATOM 1819 CG TRP A 183 -2.778 2.388 2.187 1.00 0.42 C ATOM 1820 CD1 TRP A 183 -2.530 1.084 1.962 1.00 0.52 C ATOM 1821 CD2 TRP A 183 -2.650 3.059 0.901 1.00 0.38 C ATOM 1822 NE1 TRP A 183 -2.251 0.902 0.616 1.00 0.53 N ATOM 1823 CE2 TRP A 183 -2.316 2.096 -0.082 1.00 0.44 C ATOM 1824 CE3 TRP A 183 -2.790 4.396 0.498 1.00 0.38 C ATOM 1825 CZ2 TRP A 183 -2.126 2.454 -1.423 1.00 0.44 C ATOM 1826 CZ3 TRP A 183 -2.601 4.759 -0.845 1.00 0.41 C ATOM 1827 CH2 TRP A 183 -2.268 3.791 -1.802 1.00 0.41 C ATOM 0 H TRP A 183 -5.088 4.450 3.270 1.00 0.40 H new ATOM 0 HA TRP A 183 -4.767 1.574 3.545 1.00 0.38 H new ATOM 0 HB2 TRP A 183 -3.033 4.049 3.493 1.00 0.41 H new ATOM 0 HB3 TRP A 183 -2.353 2.626 4.258 1.00 0.41 H new ATOM 0 HD1 TRP A 183 -2.546 0.305 2.710 1.00 0.52 H new ATOM 0 HE1 TRP A 183 -2.026 0.001 0.193 1.00 0.53 H new ATOM 0 HE3 TRP A 183 -3.045 5.151 1.227 1.00 0.38 H new ATOM 0 HZ2 TRP A 183 -1.872 1.703 -2.157 1.00 0.44 H new ATOM 0 HZ3 TRP A 183 -2.713 5.791 -1.143 1.00 0.41 H new ATOM 0 HH2 TRP A 183 -2.121 4.079 -2.833 1.00 0.41 H new ATOM 1838 N ARG A 184 -4.998 1.290 6.017 1.00 0.35 N ATOM 1839 CA ARG A 184 -5.016 1.079 7.493 1.00 0.35 C ATOM 1840 C ARG A 184 -3.792 0.246 7.874 1.00 0.31 C ATOM 1841 O ARG A 184 -3.806 -0.968 7.815 1.00 0.31 O ATOM 1842 CB ARG A 184 -6.292 0.338 7.893 1.00 0.40 C ATOM 1843 CG ARG A 184 -6.313 0.142 9.416 1.00 0.98 C ATOM 1844 CD ARG A 184 -7.657 -0.471 9.866 1.00 1.51 C ATOM 1845 NE ARG A 184 -8.105 0.182 11.138 1.00 1.57 N ATOM 1846 CZ ARG A 184 -7.286 0.337 12.145 1.00 2.13 C ATOM 1847 NH1 ARG A 184 -6.101 -0.209 12.128 1.00 2.82 N ATOM 1848 NH2 ARG A 184 -7.676 1.004 13.198 1.00 2.61 N ATOM 0 H ARG A 184 -5.373 0.518 5.466 1.00 0.35 H new ATOM 0 HA ARG A 184 -4.992 2.038 8.010 1.00 0.35 H new ATOM 0 HB2 ARG A 184 -7.168 0.903 7.576 1.00 0.40 H new ATOM 0 HB3 ARG A 184 -6.337 -0.628 7.390 1.00 0.40 H new ATOM 0 HG2 ARG A 184 -5.492 -0.509 9.716 1.00 0.98 H new ATOM 0 HG3 ARG A 184 -6.159 1.099 9.914 1.00 0.98 H new ATOM 0 HD2 ARG A 184 -8.410 -0.333 9.090 1.00 1.51 H new ATOM 0 HD3 ARG A 184 -7.547 -1.545 10.016 1.00 1.51 H new ATOM 0 HE ARG A 184 -9.067 0.512 11.220 1.00 1.57 H new ATOM 0 HH11 ARG A 184 -5.806 -0.763 11.324 1.00 2.82 H new ATOM 0 HH12 ARG A 184 -5.470 -0.082 12.919 1.00 2.82 H new ATOM 0 HH21 ARG A 184 -8.615 1.401 13.232 1.00 2.61 H new ATOM 0 HH22 ARG A 184 -7.041 1.128 13.987 1.00 2.61 H new ATOM 1862 N PHE A 185 -2.730 0.899 8.249 1.00 0.31 N ATOM 1863 CA PHE A 185 -1.486 0.167 8.630 1.00 0.31 C ATOM 1864 C PHE A 185 -1.719 -0.600 9.936 1.00 0.31 C ATOM 1865 O PHE A 185 -2.320 -0.093 10.863 1.00 0.37 O ATOM 1866 CB PHE A 185 -0.363 1.191 8.828 1.00 0.40 C ATOM 1867 CG PHE A 185 0.865 0.533 9.417 1.00 0.44 C ATOM 1868 CD1 PHE A 185 0.926 0.274 10.792 1.00 0.65 C ATOM 1869 CD2 PHE A 185 1.948 0.197 8.593 1.00 0.62 C ATOM 1870 CE1 PHE A 185 2.067 -0.321 11.342 1.00 0.75 C ATOM 1871 CE2 PHE A 185 3.088 -0.394 9.145 1.00 0.74 C ATOM 1872 CZ PHE A 185 3.148 -0.654 10.518 1.00 0.71 C ATOM 0 H PHE A 185 -2.667 1.915 8.309 1.00 0.31 H new ATOM 0 HA PHE A 185 -1.214 -0.542 7.848 1.00 0.31 H new ATOM 0 HB2 PHE A 185 -0.112 1.651 7.872 1.00 0.40 H new ATOM 0 HB3 PHE A 185 -0.705 1.990 9.487 1.00 0.40 H new ATOM 0 HD1 PHE A 185 0.092 0.533 11.428 1.00 0.65 H new ATOM 0 HD2 PHE A 185 1.902 0.395 7.532 1.00 0.62 H new ATOM 0 HE1 PHE A 185 2.113 -0.523 12.402 1.00 0.75 H new ATOM 0 HE2 PHE A 185 3.924 -0.650 8.511 1.00 0.74 H new ATOM 0 HZ PHE A 185 4.029 -1.112 10.943 1.00 0.71 H new ATOM 1882 N ASP A 186 -1.258 -1.822 10.017 1.00 0.28 N ATOM 1883 CA ASP A 186 -1.464 -2.618 11.258 1.00 0.32 C ATOM 1884 C ASP A 186 -0.367 -3.687 11.371 1.00 0.30 C ATOM 1885 O ASP A 186 -0.602 -4.855 11.128 1.00 0.32 O ATOM 1886 CB ASP A 186 -2.831 -3.288 11.164 1.00 0.37 C ATOM 1887 CG ASP A 186 -3.302 -3.732 12.552 1.00 0.47 C ATOM 1888 OD1 ASP A 186 -2.918 -3.099 13.521 1.00 1.16 O ATOM 1889 OD2 ASP A 186 -4.043 -4.698 12.622 1.00 1.23 O ATOM 0 H ASP A 186 -0.748 -2.301 9.275 1.00 0.28 H new ATOM 0 HA ASP A 186 -1.417 -1.975 12.137 1.00 0.32 H new ATOM 0 HB2 ASP A 186 -3.554 -2.596 10.731 1.00 0.37 H new ATOM 0 HB3 ASP A 186 -2.776 -4.149 10.498 1.00 0.37 H new ATOM 1894 N SER A 187 0.830 -3.293 11.729 1.00 0.33 N ATOM 1895 CA SER A 187 1.952 -4.278 11.850 1.00 0.34 C ATOM 1896 C SER A 187 1.500 -5.502 12.655 1.00 0.35 C ATOM 1897 O SER A 187 2.202 -6.490 12.734 1.00 0.37 O ATOM 1898 CB SER A 187 3.138 -3.608 12.560 1.00 0.40 C ATOM 1899 OG SER A 187 3.792 -4.554 13.397 1.00 1.32 O ATOM 0 H SER A 187 1.080 -2.328 11.944 1.00 0.33 H new ATOM 0 HA SER A 187 2.251 -4.603 10.853 1.00 0.34 H new ATOM 0 HB2 SER A 187 3.839 -3.213 11.824 1.00 0.40 H new ATOM 0 HB3 SER A 187 2.789 -2.763 13.153 1.00 0.40 H new ATOM 0 HG SER A 187 3.640 -5.458 13.050 1.00 1.32 H new ATOM 1905 N ARG A 188 0.341 -5.456 13.251 1.00 0.40 N ATOM 1906 CA ARG A 188 -0.124 -6.631 14.039 1.00 0.46 C ATOM 1907 C ARG A 188 -0.260 -7.832 13.100 1.00 0.42 C ATOM 1908 O ARG A 188 -0.091 -8.967 13.498 1.00 0.43 O ATOM 1909 CB ARG A 188 -1.483 -6.319 14.674 1.00 0.58 C ATOM 1910 CG ARG A 188 -1.293 -5.353 15.846 1.00 1.40 C ATOM 1911 CD ARG A 188 -2.640 -5.108 16.532 1.00 1.75 C ATOM 1912 NE ARG A 188 -3.193 -6.405 17.018 1.00 2.37 N ATOM 1913 CZ ARG A 188 -4.172 -6.415 17.882 1.00 2.99 C ATOM 1914 NH1 ARG A 188 -4.665 -5.289 18.322 1.00 3.19 N ATOM 1915 NH2 ARG A 188 -4.656 -7.551 18.306 1.00 3.87 N ATOM 0 H ARG A 188 -0.300 -4.663 13.227 1.00 0.40 H new ATOM 0 HA ARG A 188 0.594 -6.856 14.827 1.00 0.46 H new ATOM 0 HB2 ARG A 188 -2.150 -5.880 13.932 1.00 0.58 H new ATOM 0 HB3 ARG A 188 -1.953 -7.239 15.021 1.00 0.58 H new ATOM 0 HG2 ARG A 188 -0.580 -5.766 16.559 1.00 1.40 H new ATOM 0 HG3 ARG A 188 -0.878 -4.410 15.490 1.00 1.40 H new ATOM 0 HD2 ARG A 188 -2.515 -4.418 17.367 1.00 1.75 H new ATOM 0 HD3 ARG A 188 -3.336 -4.642 15.835 1.00 1.75 H new ATOM 0 HE ARG A 188 -2.806 -7.284 16.675 1.00 2.37 H new ATOM 0 HH11 ARG A 188 -4.285 -4.402 17.991 1.00 3.19 H new ATOM 0 HH12 ARG A 188 -5.430 -5.296 18.997 1.00 3.19 H new ATOM 0 HH21 ARG A 188 -4.269 -8.430 17.962 1.00 3.87 H new ATOM 0 HH22 ARG A 188 -5.421 -7.559 18.981 1.00 3.87 H new ATOM 1929 N LEU A 189 -0.545 -7.584 11.851 1.00 0.43 N ATOM 1930 CA LEU A 189 -0.672 -8.701 10.875 1.00 0.46 C ATOM 1931 C LEU A 189 0.689 -9.396 10.757 1.00 0.41 C ATOM 1932 O LEU A 189 0.849 -10.353 10.025 1.00 0.46 O ATOM 1933 CB LEU A 189 -1.109 -8.143 9.503 1.00 0.57 C ATOM 1934 CG LEU A 189 -2.651 -8.123 9.395 1.00 1.05 C ATOM 1935 CD1 LEU A 189 -3.088 -7.086 8.354 1.00 1.46 C ATOM 1936 CD2 LEU A 189 -3.167 -9.503 8.965 1.00 1.78 C ATOM 0 H LEU A 189 -0.696 -6.652 11.464 1.00 0.43 H new ATOM 0 HA LEU A 189 -1.422 -9.416 11.212 1.00 0.46 H new ATOM 0 HB2 LEU A 189 -0.716 -7.135 9.371 1.00 0.57 H new ATOM 0 HB3 LEU A 189 -0.690 -8.755 8.704 1.00 0.57 H new ATOM 0 HG LEU A 189 -3.064 -7.865 10.370 1.00 1.05 H new ATOM 0 HD11 LEU A 189 -4.176 -7.077 8.283 1.00 1.46 H new ATOM 0 HD12 LEU A 189 -2.736 -6.099 8.654 1.00 1.46 H new ATOM 0 HD13 LEU A 189 -2.663 -7.343 7.384 1.00 1.46 H new ATOM 0 HD21 LEU A 189 -4.254 -9.478 8.892 1.00 1.78 H new ATOM 0 HD22 LEU A 189 -2.744 -9.764 7.995 1.00 1.78 H new ATOM 0 HD23 LEU A 189 -2.870 -10.249 9.702 1.00 1.78 H new ATOM 1948 N ALA A 190 1.666 -8.920 11.478 1.00 0.37 N ATOM 1949 CA ALA A 190 3.012 -9.549 11.416 1.00 0.42 C ATOM 1950 C ALA A 190 2.964 -10.879 12.165 1.00 0.44 C ATOM 1951 O ALA A 190 3.947 -11.586 12.267 1.00 0.53 O ATOM 1952 CB ALA A 190 4.037 -8.627 12.078 1.00 0.47 C ATOM 0 H ALA A 190 1.589 -8.121 12.108 1.00 0.37 H new ATOM 0 HA ALA A 190 3.299 -9.716 10.378 1.00 0.42 H new ATOM 0 HB1 ALA A 190 5.024 -9.088 12.033 1.00 0.47 H new ATOM 0 HB2 ALA A 190 4.058 -7.671 11.554 1.00 0.47 H new ATOM 0 HB3 ALA A 190 3.760 -8.464 13.120 1.00 0.47 H new ATOM 1958 N PHE A 191 1.813 -11.220 12.692 1.00 0.42 N ATOM 1959 CA PHE A 191 1.665 -12.507 13.445 1.00 0.51 C ATOM 1960 C PHE A 191 0.402 -13.228 12.972 1.00 0.56 C ATOM 1961 O PHE A 191 0.459 -14.331 12.467 1.00 0.96 O ATOM 1962 CB PHE A 191 1.550 -12.206 14.942 1.00 0.58 C ATOM 1963 CG PHE A 191 2.827 -11.558 15.421 1.00 1.14 C ATOM 1964 CD1 PHE A 191 3.950 -12.347 15.696 1.00 1.81 C ATOM 1965 CD2 PHE A 191 2.890 -10.169 15.587 1.00 1.98 C ATOM 1966 CE1 PHE A 191 5.136 -11.747 16.137 1.00 2.75 C ATOM 1967 CE2 PHE A 191 4.075 -9.569 16.028 1.00 2.87 C ATOM 1968 CZ PHE A 191 5.199 -10.359 16.303 1.00 3.15 C ATOM 0 H PHE A 191 0.963 -10.659 12.633 1.00 0.42 H new ATOM 0 HA PHE A 191 2.534 -13.140 13.265 1.00 0.51 H new ATOM 0 HB2 PHE A 191 0.702 -11.547 15.128 1.00 0.58 H new ATOM 0 HB3 PHE A 191 1.366 -13.126 15.496 1.00 0.58 H new ATOM 0 HD1 PHE A 191 3.902 -13.418 15.568 1.00 1.81 H new ATOM 0 HD2 PHE A 191 2.024 -9.560 15.375 1.00 1.98 H new ATOM 0 HE1 PHE A 191 6.002 -12.356 16.349 1.00 2.75 H new ATOM 0 HE2 PHE A 191 4.123 -8.498 16.156 1.00 2.87 H new ATOM 0 HZ PHE A 191 6.114 -9.897 16.643 1.00 3.15 H new ATOM 1978 N HIS A 192 -0.738 -12.613 13.125 1.00 0.64 N ATOM 1979 CA HIS A 192 -1.999 -13.265 12.677 1.00 0.72 C ATOM 1980 C HIS A 192 -2.070 -13.226 11.150 1.00 0.67 C ATOM 1981 O HIS A 192 -1.377 -12.461 10.509 1.00 1.26 O ATOM 1982 CB HIS A 192 -3.198 -12.519 13.266 1.00 1.01 C ATOM 1983 CG HIS A 192 -4.469 -13.222 12.877 1.00 1.62 C ATOM 1984 ND1 HIS A 192 -4.568 -14.603 12.838 1.00 2.46 N ATOM 1985 CD2 HIS A 192 -5.705 -12.747 12.511 1.00 2.48 C ATOM 1986 CE1 HIS A 192 -5.823 -14.910 12.462 1.00 3.29 C ATOM 1987 NE2 HIS A 192 -6.558 -13.814 12.250 1.00 3.35 N ATOM 0 H HIS A 192 -0.850 -11.688 13.540 1.00 0.64 H new ATOM 0 HA HIS A 192 -2.018 -14.300 13.017 1.00 0.72 H new ATOM 0 HB2 HIS A 192 -3.113 -12.473 14.352 1.00 1.01 H new ATOM 0 HB3 HIS A 192 -3.213 -11.491 12.904 1.00 1.01 H new ATOM 0 HD2 HIS A 192 -5.973 -11.704 12.437 1.00 2.48 H new ATOM 0 HE1 HIS A 192 -6.191 -15.919 12.346 1.00 3.29 H new ATOM 0 HE2 HIS A 192 -7.535 -13.770 11.959 1.00 3.35 H new ATOM 1995 N HIS A 193 -2.897 -14.045 10.560 1.00 0.77 N ATOM 1996 CA HIS A 193 -3.007 -14.058 9.069 1.00 0.85 C ATOM 1997 C HIS A 193 -4.450 -14.387 8.672 1.00 0.74 C ATOM 1998 O HIS A 193 -4.845 -15.535 8.629 1.00 0.78 O ATOM 1999 CB HIS A 193 -2.050 -15.126 8.508 1.00 1.28 C ATOM 2000 CG HIS A 193 -1.674 -14.800 7.086 1.00 2.09 C ATOM 2001 ND1 HIS A 193 -0.862 -15.443 6.185 1.00 2.84 N flip ATOM 2002 CD2 HIS A 193 -2.145 -13.672 6.431 1.00 2.99 C flip ATOM 2003 CE1 HIS A 193 -0.826 -14.728 4.992 1.00 3.75 C flip ATOM 2004 NE2 HIS A 193 -1.616 -13.670 5.194 1.00 3.87 N flip ATOM 0 H HIS A 193 -3.503 -14.707 11.044 1.00 0.77 H new ATOM 0 HA HIS A 193 -2.739 -13.082 8.663 1.00 0.85 H new ATOM 0 HB2 HIS A 193 -1.153 -15.180 9.125 1.00 1.28 H new ATOM 0 HB3 HIS A 193 -2.524 -16.106 8.550 1.00 1.28 H new ATOM 0 HD2 HIS A 193 -2.815 -12.930 6.840 1.00 2.99 H new ATOM 0 HE1 HIS A 193 -0.277 -14.975 4.095 1.00 3.75 H new ATOM 0 HE2 HIS A 193 -1.796 -12.949 4.496 1.00 3.87 H new ATOM 2012 N MET A 194 -5.239 -13.389 8.383 1.00 0.73 N ATOM 2013 CA MET A 194 -6.654 -13.647 7.991 1.00 0.79 C ATOM 2014 C MET A 194 -6.696 -14.170 6.553 1.00 0.75 C ATOM 2015 O MET A 194 -7.454 -15.062 6.228 1.00 0.90 O ATOM 2016 CB MET A 194 -7.456 -12.346 8.083 1.00 0.91 C ATOM 2017 CG MET A 194 -7.622 -11.950 9.552 1.00 1.47 C ATOM 2018 SD MET A 194 -8.173 -10.229 9.651 1.00 2.35 S ATOM 2019 CE MET A 194 -8.824 -10.297 11.337 1.00 2.94 C ATOM 0 H MET A 194 -4.966 -12.406 8.401 1.00 0.73 H new ATOM 0 HA MET A 194 -7.087 -14.389 8.662 1.00 0.79 H new ATOM 0 HB2 MET A 194 -6.946 -11.553 7.537 1.00 0.91 H new ATOM 0 HB3 MET A 194 -8.433 -12.475 7.618 1.00 0.91 H new ATOM 0 HG2 MET A 194 -8.347 -12.604 10.037 1.00 1.47 H new ATOM 0 HG3 MET A 194 -6.678 -12.072 10.082 1.00 1.47 H new ATOM 0 HE1 MET A 194 -9.224 -9.321 11.612 1.00 2.94 H new ATOM 0 HE2 MET A 194 -9.617 -11.042 11.391 1.00 2.94 H new ATOM 0 HE3 MET A 194 -8.024 -10.569 12.025 1.00 2.94 H new ATOM 2029 N ALA A 195 -5.884 -13.622 5.690 1.00 0.66 N ATOM 2030 CA ALA A 195 -5.875 -14.086 4.273 1.00 0.76 C ATOM 2031 C ALA A 195 -5.688 -15.608 4.233 1.00 0.90 C ATOM 2032 O ALA A 195 -6.194 -16.284 3.359 1.00 1.11 O ATOM 2033 CB ALA A 195 -4.723 -13.406 3.526 1.00 0.82 C ATOM 0 H ALA A 195 -5.226 -12.873 5.905 1.00 0.66 H new ATOM 0 HA ALA A 195 -6.821 -13.827 3.797 1.00 0.76 H new ATOM 0 HB1 ALA A 195 -4.713 -13.743 2.489 1.00 0.82 H new ATOM 0 HB2 ALA A 195 -4.858 -12.325 3.555 1.00 0.82 H new ATOM 0 HB3 ALA A 195 -3.777 -13.666 4.001 1.00 0.82 H new