USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 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 94 MET CE :methyl 175:sc= -2.92! (180deg=-2.76!) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= -0.245 USER MOD Set 2.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -170:sc= 0 USER MOD Single : A 49 CYS SG : rot 72:sc= -0.324 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= -0.126 USER MOD Single : A 57 LYS NZ :NH3+ -166:sc= -0.0262 (180deg=-0.211) USER MOD Single : A 64 SER OG : rot 180:sc= 0.0031 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.063) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -8.72! C(o=-8.7!,f=-15!) USER MOD Single : A 93 ASN : amide:sc= -0.227 K(o=-0.23,f=-2.4!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -110:sc= -1.92! USER MOD Single : A 101 THR OG1 : rot 114:sc= -0.999 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.703! USER MOD Single : A 105 LYS NZ :NH3+ 155:sc= -0.203 (180deg=-0.858) USER MOD Single : A 107 MET CE :methyl -123:sc= -2.07 (180deg=-7.71!) USER MOD Single : A 111 MET CE :methyl 142:sc= -0.752 (180deg=-3.58) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 145:sc= -0.914 (180deg=-1.98!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.367 -3.829 4.281 1.00 0.00 N ATOM 266 CA PRO A 20 -12.427 -4.249 5.325 1.00 0.00 C ATOM 267 C PRO A 20 -10.981 -4.237 4.842 1.00 0.00 C ATOM 268 O PRO A 20 -10.656 -4.822 3.809 1.00 0.00 O ATOM 269 CB PRO A 20 -12.872 -5.678 5.647 1.00 0.00 C ATOM 270 CG PRO A 20 -14.326 -5.705 5.324 1.00 0.00 C ATOM 271 CD PRO A 20 -14.550 -4.703 4.212 1.00 0.00 C ATOM 0 HA PRO A 20 -12.445 -3.578 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.321 -6.407 5.053 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.695 -5.921 6.695 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.633 -6.703 5.012 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.921 -5.448 6.201 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.629 -5.194 3.242 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.472 -4.141 4.360 1.00 0.00 H new ATOM 279 N VAL A 21 -10.116 -3.567 5.596 1.00 0.00 N ATOM 280 CA VAL A 21 -8.703 -3.480 5.246 1.00 0.00 C ATOM 281 C VAL A 21 -7.951 -4.732 5.683 1.00 0.00 C ATOM 282 O VAL A 21 -8.065 -5.171 6.827 1.00 0.00 O ATOM 283 CB VAL A 21 -8.040 -2.247 5.887 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.595 -2.120 5.432 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.826 -0.987 5.554 1.00 0.00 C ATOM 0 H VAL A 21 -10.369 -3.076 6.454 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.651 -3.388 4.161 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.044 -2.375 6.969 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.143 -1.243 5.895 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.041 -3.012 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.563 -2.014 4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.344 -0.125 6.015 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.855 -0.852 4.473 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.843 -1.081 5.936 1.00 0.00 H new ATOM 295 N VAL A 22 -7.180 -5.304 4.763 1.00 0.00 N ATOM 296 CA VAL A 22 -6.406 -6.505 5.053 1.00 0.00 C ATOM 297 C VAL A 22 -5.189 -6.181 5.912 1.00 0.00 C ATOM 298 O VAL A 22 -4.968 -6.801 6.952 1.00 0.00 O ATOM 299 CB VAL A 22 -5.938 -7.198 3.759 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.147 -8.456 4.082 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.128 -7.520 2.868 1.00 0.00 C ATOM 0 H VAL A 22 -7.075 -4.955 3.810 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.064 -7.180 5.600 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.282 -6.515 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.825 -8.931 3.155 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.273 -8.193 4.678 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.775 -9.146 4.645 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.780 -8.009 1.958 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.811 -8.184 3.398 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.648 -6.598 2.608 1.00 0.00 H new ATOM 311 N ARG A 23 -4.402 -5.206 5.469 1.00 0.00 N ATOM 312 CA ARG A 23 -3.206 -4.799 6.197 1.00 0.00 C ATOM 313 C ARG A 23 -2.594 -3.545 5.580 1.00 0.00 C ATOM 314 O ARG A 23 -2.402 -3.469 4.367 1.00 0.00 O ATOM 315 CB ARG A 23 -2.178 -5.932 6.204 1.00 0.00 C ATOM 316 CG ARG A 23 -1.251 -5.906 7.408 1.00 0.00 C ATOM 317 CD ARG A 23 0.068 -6.601 7.111 1.00 0.00 C ATOM 318 NE ARG A 23 1.064 -5.677 6.574 1.00 0.00 N ATOM 319 CZ ARG A 23 1.675 -4.750 7.303 1.00 0.00 C ATOM 320 NH1 ARG A 23 1.393 -4.624 8.593 1.00 0.00 N ATOM 321 NH2 ARG A 23 2.570 -3.947 6.743 1.00 0.00 N ATOM 0 H ARG A 23 -4.571 -4.683 4.610 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.495 -4.573 7.224 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.703 -6.887 6.181 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.580 -5.874 5.294 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -1.061 -4.873 7.700 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.737 -6.392 8.254 1.00 0.00 H new ATOM 0 HD2 ARG A 23 0.451 -7.057 8.024 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.100 -7.408 6.398 1.00 0.00 H new ATOM 0 HE ARG A 23 1.303 -5.748 5.585 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.706 -5.240 9.027 1.00 0.00 H new ATOM 0 HH12 ARG A 23 1.864 -3.911 9.151 1.00 0.00 H new ATOM 0 HH21 ARG A 23 2.790 -4.041 5.751 1.00 0.00 H new ATOM 0 HH22 ARG A 23 3.038 -3.236 7.304 1.00 0.00 H new ATOM 335 N ARG A 24 -2.290 -2.565 6.424 1.00 0.00 N ATOM 336 CA ARG A 24 -1.702 -1.314 5.962 1.00 0.00 C ATOM 337 C ARG A 24 -0.363 -1.056 6.647 1.00 0.00 C ATOM 338 O ARG A 24 -0.270 -1.069 7.874 1.00 0.00 O ATOM 339 CB ARG A 24 -2.655 -0.147 6.228 1.00 0.00 C ATOM 340 CG ARG A 24 -2.794 0.202 7.700 1.00 0.00 C ATOM 341 CD ARG A 24 -3.898 1.223 7.929 1.00 0.00 C ATOM 342 NE ARG A 24 -3.926 1.698 9.310 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.921 2.415 9.820 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.965 2.736 9.068 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.874 2.811 11.086 1.00 0.00 N ATOM 0 H ARG A 24 -2.441 -2.613 7.432 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.532 -1.398 4.889 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.301 0.731 5.687 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.638 -0.393 5.827 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.009 -0.702 8.271 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.849 0.597 8.072 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.754 2.069 7.257 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.861 0.778 7.679 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.139 1.466 9.916 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.005 2.432 8.095 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.728 3.287 9.462 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.073 2.565 11.668 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.639 3.362 11.477 1.00 0.00 H new ATOM 359 N GLY A 25 0.672 -0.824 5.845 1.00 0.00 N ATOM 360 CA GLY A 25 1.992 -0.568 6.392 1.00 0.00 C ATOM 361 C GLY A 25 2.860 0.245 5.454 1.00 0.00 C ATOM 362 O GLY A 25 2.624 0.273 4.246 1.00 0.00 O ATOM 0 H GLY A 25 0.620 -0.809 4.826 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.893 -0.039 7.340 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.484 -1.517 6.606 1.00 0.00 H new ATOM 366 N TRP A 26 3.867 0.910 6.009 1.00 0.00 N ATOM 367 CA TRP A 26 4.773 1.730 5.213 1.00 0.00 C ATOM 368 C TRP A 26 5.621 0.863 4.288 1.00 0.00 C ATOM 369 O TRP A 26 6.736 0.474 4.635 1.00 0.00 O ATOM 370 CB TRP A 26 5.678 2.560 6.125 1.00 0.00 C ATOM 371 CG TRP A 26 4.988 3.748 6.724 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.411 3.823 7.960 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.803 5.029 6.113 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.877 5.075 8.153 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.105 5.833 7.036 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.159 5.576 4.878 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.758 7.153 6.759 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.814 6.886 4.605 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.120 7.663 5.542 1.00 0.00 C ATOM 0 H TRP A 26 4.077 0.897 7.007 1.00 0.00 H new ATOM 0 HA TRP A 26 4.171 2.402 4.601 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.055 1.925 6.927 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.543 2.900 5.555 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.379 3.018 8.679 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.390 5.388 8.993 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.694 4.986 4.149 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.222 7.753 7.479 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.084 7.318 3.653 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.866 8.684 5.299 1.00 0.00 H new ATOM 390 N LEU A 27 5.085 0.565 3.109 1.00 0.00 N ATOM 391 CA LEU A 27 5.793 -0.256 2.133 1.00 0.00 C ATOM 392 C LEU A 27 6.704 0.600 1.259 1.00 0.00 C ATOM 393 O LEU A 27 6.480 1.801 1.102 1.00 0.00 O ATOM 394 CB LEU A 27 4.796 -1.017 1.258 1.00 0.00 C ATOM 395 CG LEU A 27 5.377 -2.141 0.400 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.080 -3.170 1.272 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.283 -2.800 -0.428 1.00 0.00 C ATOM 0 H LEU A 27 4.163 0.880 2.806 1.00 0.00 H new ATOM 0 HA LEU A 27 6.410 -0.971 2.677 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.026 -1.441 1.903 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.302 -0.303 0.599 1.00 0.00 H new ATOM 0 HG LEU A 27 6.111 -1.710 -0.281 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.487 -3.962 0.644 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.890 -2.690 1.820 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.367 -3.597 1.978 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.715 -3.598 -1.033 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.526 -3.217 0.236 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.824 -2.058 -1.081 1.00 0.00 H new ATOM 409 N TYR A 28 7.729 -0.025 0.692 1.00 0.00 N ATOM 410 CA TYR A 28 8.674 0.680 -0.167 1.00 0.00 C ATOM 411 C TYR A 28 8.254 0.588 -1.630 1.00 0.00 C ATOM 412 O TYR A 28 7.783 -0.453 -2.090 1.00 0.00 O ATOM 413 CB TYR A 28 10.081 0.106 0.008 1.00 0.00 C ATOM 414 CG TYR A 28 10.652 0.313 1.393 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.995 1.582 1.842 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.846 -0.761 2.253 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.518 1.775 3.106 1.00 0.00 C ATOM 418 CE2 TYR A 28 11.367 -0.577 3.520 1.00 0.00 C ATOM 419 CZ TYR A 28 11.701 0.693 3.941 1.00 0.00 C ATOM 420 OH TYR A 28 12.220 0.882 5.202 1.00 0.00 O ATOM 0 H TYR A 28 7.927 -1.018 0.811 1.00 0.00 H new ATOM 0 HA TYR A 28 8.678 1.730 0.126 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.058 -0.962 -0.211 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.746 0.567 -0.723 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.850 2.432 1.192 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.585 -1.757 1.926 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.782 2.768 3.438 1.00 0.00 H new ATOM 0 HE2 TYR A 28 11.512 -1.423 4.176 1.00 0.00 H new ATOM 0 HH TYR A 28 12.284 0.019 5.662 1.00 0.00 H new ATOM 430 N LYS A 29 8.427 1.686 -2.359 1.00 0.00 N ATOM 431 CA LYS A 29 8.069 1.732 -3.771 1.00 0.00 C ATOM 432 C LYS A 29 9.288 2.048 -4.632 1.00 0.00 C ATOM 433 O LYS A 29 10.024 2.995 -4.356 1.00 0.00 O ATOM 434 CB LYS A 29 6.979 2.779 -4.008 1.00 0.00 C ATOM 435 CG LYS A 29 6.625 2.969 -5.473 1.00 0.00 C ATOM 436 CD LYS A 29 5.500 2.040 -5.900 1.00 0.00 C ATOM 437 CE LYS A 29 4.636 2.672 -6.981 1.00 0.00 C ATOM 438 NZ LYS A 29 3.594 3.566 -6.406 1.00 0.00 N ATOM 0 H LYS A 29 8.813 2.557 -1.994 1.00 0.00 H new ATOM 0 HA LYS A 29 7.690 0.751 -4.056 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.082 2.488 -3.461 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.308 3.733 -3.596 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.329 4.004 -5.645 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.505 2.783 -6.088 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.920 1.104 -6.269 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.882 1.794 -5.036 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.267 3.242 -7.663 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.158 1.888 -7.568 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.027 3.977 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 2.976 3.018 -5.774 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.050 4.329 -5.867 1.00 0.00 H new ATOM 571 N TRP A 38 14.697 3.102 -3.647 1.00 0.00 N ATOM 572 CA TRP A 38 13.456 2.775 -2.954 1.00 0.00 C ATOM 573 C TRP A 38 12.905 3.993 -2.220 1.00 0.00 C ATOM 574 O TRP A 38 13.662 4.797 -1.675 1.00 0.00 O ATOM 575 CB TRP A 38 13.686 1.630 -1.966 1.00 0.00 C ATOM 576 CG TRP A 38 14.199 0.380 -2.615 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.505 0.049 -2.838 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.415 -0.704 -3.127 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.580 -1.176 -3.458 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.312 -1.658 -3.645 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.043 -0.961 -3.195 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.879 -2.848 -4.223 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.615 -2.143 -3.770 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.530 -3.075 -4.278 1.00 0.00 C ATOM 0 HA TRP A 38 12.725 2.462 -3.699 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.396 1.953 -1.205 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.750 1.407 -1.454 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.354 0.659 -2.567 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.441 -1.649 -3.734 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.330 -0.249 -2.805 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.583 -3.567 -4.615 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.557 -2.352 -3.829 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.164 -3.989 -4.721 1.00 0.00 H new ATOM 595 N LYS A 39 11.583 4.124 -2.209 1.00 0.00 N ATOM 596 CA LYS A 39 10.930 5.243 -1.541 1.00 0.00 C ATOM 597 C LYS A 39 9.950 4.748 -0.483 1.00 0.00 C ATOM 598 O LYS A 39 9.209 3.790 -0.707 1.00 0.00 O ATOM 599 CB LYS A 39 10.197 6.116 -2.562 1.00 0.00 C ATOM 600 CG LYS A 39 11.121 6.784 -3.565 1.00 0.00 C ATOM 601 CD LYS A 39 11.899 7.926 -2.933 1.00 0.00 C ATOM 602 CE LYS A 39 13.213 8.173 -3.658 1.00 0.00 C ATOM 603 NZ LYS A 39 13.037 9.066 -4.837 1.00 0.00 N ATOM 0 H LYS A 39 10.942 3.468 -2.656 1.00 0.00 H new ATOM 0 HA LYS A 39 11.699 5.838 -1.049 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.474 5.503 -3.099 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.633 6.884 -2.033 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.817 6.047 -3.967 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.537 7.161 -4.404 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.295 8.833 -2.952 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.097 7.697 -1.886 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.930 8.619 -2.969 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.633 7.221 -3.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.955 9.210 -5.304 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.372 8.629 -5.507 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.660 9.984 -4.524 1.00 0.00 H new ATOM 617 N LYS A 40 9.950 5.406 0.671 1.00 0.00 N ATOM 618 CA LYS A 40 9.059 5.035 1.764 1.00 0.00 C ATOM 619 C LYS A 40 7.723 5.763 1.648 1.00 0.00 C ATOM 620 O LYS A 40 7.667 6.991 1.714 1.00 0.00 O ATOM 621 CB LYS A 40 9.710 5.355 3.112 1.00 0.00 C ATOM 622 CG LYS A 40 8.868 4.943 4.307 1.00 0.00 C ATOM 623 CD LYS A 40 9.046 3.470 4.634 1.00 0.00 C ATOM 624 CE LYS A 40 8.860 3.202 6.120 1.00 0.00 C ATOM 625 NZ LYS A 40 10.142 3.314 6.868 1.00 0.00 N ATOM 0 H LYS A 40 10.558 6.200 0.874 1.00 0.00 H new ATOM 0 HA LYS A 40 8.876 3.962 1.701 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.676 4.853 3.168 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.904 6.426 3.167 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.145 5.545 5.173 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.817 5.146 4.100 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.328 2.880 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.040 3.146 4.326 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.138 3.909 6.529 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.444 2.204 6.260 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.973 3.124 7.877 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.823 2.622 6.495 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.527 4.274 6.756 1.00 0.00 H new ATOM 639 N ARG A 41 6.650 4.997 1.477 1.00 0.00 N ATOM 640 CA ARG A 41 5.315 5.569 1.352 1.00 0.00 C ATOM 641 C ARG A 41 4.301 4.765 2.161 1.00 0.00 C ATOM 642 O ARG A 41 4.604 3.676 2.648 1.00 0.00 O ATOM 643 CB ARG A 41 4.891 5.614 -0.117 1.00 0.00 C ATOM 644 CG ARG A 41 5.532 6.747 -0.902 1.00 0.00 C ATOM 645 CD ARG A 41 4.842 8.074 -0.628 1.00 0.00 C ATOM 646 NE ARG A 41 5.598 9.205 -1.161 1.00 0.00 N ATOM 647 CZ ARG A 41 5.440 10.456 -0.744 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.557 10.736 0.205 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.165 11.431 -1.278 1.00 0.00 N ATOM 0 H ARG A 41 6.680 3.979 1.422 1.00 0.00 H new ATOM 0 HA ARG A 41 5.344 6.585 1.745 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.147 4.666 -0.589 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.807 5.714 -0.171 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.587 6.823 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.485 6.525 -1.968 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.846 8.063 -1.071 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.712 8.200 0.447 1.00 0.00 H new ATOM 0 HE ARG A 41 6.285 9.024 -1.893 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.997 9.990 0.617 1.00 0.00 H new ATOM 0 HH12 ARG A 41 4.438 11.698 0.523 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.844 11.220 -2.009 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.043 12.392 -0.957 1.00 0.00 H new ATOM 663 N TRP A 42 3.098 5.310 2.299 1.00 0.00 N ATOM 664 CA TRP A 42 2.039 4.643 3.049 1.00 0.00 C ATOM 665 C TRP A 42 1.134 3.844 2.119 1.00 0.00 C ATOM 666 O TRP A 42 0.463 4.407 1.254 1.00 0.00 O ATOM 667 CB TRP A 42 1.214 5.669 3.827 1.00 0.00 C ATOM 668 CG TRP A 42 0.244 5.047 4.786 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.108 5.234 4.821 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.553 4.140 5.850 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.658 4.498 5.843 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.660 3.817 6.488 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.737 3.567 6.324 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.721 2.948 7.574 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.674 2.706 7.402 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.453 2.402 8.018 1.00 0.00 C ATOM 0 H TRP A 42 2.831 6.211 1.902 1.00 0.00 H new ATOM 0 HA TRP A 42 2.505 3.953 3.753 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.888 6.325 4.378 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.666 6.294 3.122 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.663 5.867 4.145 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.649 4.464 6.082 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.683 3.794 5.856 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.662 2.713 8.050 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.583 2.259 7.777 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.438 1.724 8.859 1.00 0.00 H new ATOM 687 N PHE A 43 1.118 2.527 2.303 1.00 0.00 N ATOM 688 CA PHE A 43 0.294 1.650 1.479 1.00 0.00 C ATOM 689 C PHE A 43 -0.837 1.038 2.299 1.00 0.00 C ATOM 690 O PHE A 43 -0.690 0.794 3.497 1.00 0.00 O ATOM 691 CB PHE A 43 1.150 0.542 0.863 1.00 0.00 C ATOM 692 CG PHE A 43 1.731 0.905 -0.473 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.036 0.637 -1.642 1.00 0.00 C ATOM 694 CD2 PHE A 43 2.972 1.516 -0.562 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.569 0.969 -2.873 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.509 1.852 -1.790 1.00 0.00 C ATOM 697 CZ PHE A 43 2.806 1.579 -2.947 1.00 0.00 C ATOM 0 H PHE A 43 1.666 2.044 3.015 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.143 2.249 0.680 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.961 0.297 1.549 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.543 -0.357 0.754 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.067 0.163 -1.590 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.526 1.732 0.340 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.019 0.752 -3.777 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.477 2.327 -1.845 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.223 1.842 -3.908 1.00 0.00 H new ATOM 707 N VAL A 44 -1.969 0.793 1.645 1.00 0.00 N ATOM 708 CA VAL A 44 -3.126 0.209 2.313 1.00 0.00 C ATOM 709 C VAL A 44 -3.796 -0.840 1.433 1.00 0.00 C ATOM 710 O VAL A 44 -4.319 -0.527 0.363 1.00 0.00 O ATOM 711 CB VAL A 44 -4.162 1.287 2.686 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.451 0.643 3.172 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.595 2.227 3.740 1.00 0.00 C ATOM 0 H VAL A 44 -2.109 0.990 0.654 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.760 -0.264 3.224 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.390 1.872 1.795 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.171 1.420 3.431 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.864 0.014 2.383 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.244 0.033 4.051 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.339 2.982 3.992 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.338 1.659 4.634 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.701 2.714 3.350 1.00 0.00 H new ATOM 723 N LEU A 45 -3.777 -2.087 1.891 1.00 0.00 N ATOM 724 CA LEU A 45 -4.384 -3.185 1.146 1.00 0.00 C ATOM 725 C LEU A 45 -5.843 -3.375 1.547 1.00 0.00 C ATOM 726 O LEU A 45 -6.140 -3.975 2.580 1.00 0.00 O ATOM 727 CB LEU A 45 -3.605 -4.480 1.383 1.00 0.00 C ATOM 728 CG LEU A 45 -3.611 -5.488 0.233 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.949 -6.207 0.162 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.306 -4.793 -1.086 1.00 0.00 C ATOM 0 H LEU A 45 -3.348 -2.363 2.774 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.348 -2.935 0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.570 -4.222 1.608 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.011 -4.968 2.269 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.833 -6.228 0.419 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.935 -6.920 -0.662 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.127 -6.737 1.098 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.745 -5.480 -0.001 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.314 -5.525 -1.893 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.061 -4.031 -1.279 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.324 -4.324 -1.032 1.00 0.00 H new ATOM 742 N SER A 46 -6.750 -2.861 0.723 1.00 0.00 N ATOM 743 CA SER A 46 -8.179 -2.973 0.992 1.00 0.00 C ATOM 744 C SER A 46 -8.973 -3.039 -0.308 1.00 0.00 C ATOM 745 O SER A 46 -8.530 -2.545 -1.346 1.00 0.00 O ATOM 746 CB SER A 46 -8.654 -1.787 1.834 1.00 0.00 C ATOM 747 OG SER A 46 -9.937 -2.034 2.383 1.00 0.00 O ATOM 0 H SER A 46 -6.521 -2.363 -0.137 1.00 0.00 H new ATOM 0 HA SER A 46 -8.349 -3.895 1.547 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.941 -1.598 2.637 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.685 -0.888 1.218 1.00 0.00 H new ATOM 0 HG SER A 46 -10.286 -1.210 2.782 1.00 0.00 H new ATOM 753 N ASP A 47 -10.150 -3.652 -0.245 1.00 0.00 N ATOM 754 CA ASP A 47 -11.008 -3.783 -1.416 1.00 0.00 C ATOM 755 C ASP A 47 -10.246 -4.405 -2.582 1.00 0.00 C ATOM 756 O ASP A 47 -10.335 -3.934 -3.717 1.00 0.00 O ATOM 757 CB ASP A 47 -11.563 -2.417 -1.823 1.00 0.00 C ATOM 758 CG ASP A 47 -12.810 -2.530 -2.679 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.878 -2.868 -2.128 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.717 -2.282 -3.899 1.00 0.00 O ATOM 0 H ASP A 47 -10.532 -4.066 0.605 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.837 -4.441 -1.156 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.792 -1.840 -0.927 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.799 -1.866 -2.371 1.00 0.00 H new ATOM 765 N LEU A 48 -9.496 -5.463 -2.295 1.00 0.00 N ATOM 766 CA LEU A 48 -8.716 -6.149 -3.319 1.00 0.00 C ATOM 767 C LEU A 48 -8.049 -5.148 -4.257 1.00 0.00 C ATOM 768 O LEU A 48 -8.026 -5.342 -5.473 1.00 0.00 O ATOM 769 CB LEU A 48 -9.611 -7.097 -4.120 1.00 0.00 C ATOM 770 CG LEU A 48 -10.383 -8.137 -3.307 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.560 -8.673 -4.107 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.463 -9.273 -2.883 1.00 0.00 C ATOM 0 H LEU A 48 -9.411 -5.865 -1.361 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.938 -6.727 -2.821 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.328 -6.499 -4.683 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.992 -7.621 -4.848 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.769 -7.654 -2.409 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -12.098 -9.412 -3.513 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -12.232 -7.853 -4.360 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.196 -9.139 -5.022 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.029 -10.004 -2.305 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.047 -9.754 -3.768 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.653 -8.876 -2.271 1.00 0.00 H new ATOM 784 N CYS A 49 -7.507 -4.079 -3.685 1.00 0.00 N ATOM 785 CA CYS A 49 -6.838 -3.048 -4.469 1.00 0.00 C ATOM 786 C CYS A 49 -5.750 -2.361 -3.650 1.00 0.00 C ATOM 787 O CYS A 49 -5.612 -2.608 -2.451 1.00 0.00 O ATOM 788 CB CYS A 49 -7.851 -2.014 -4.962 1.00 0.00 C ATOM 789 SG CYS A 49 -9.144 -2.696 -6.026 1.00 0.00 S ATOM 0 H CYS A 49 -7.518 -3.904 -2.680 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.371 -3.528 -5.329 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.318 -1.539 -4.099 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.321 -1.233 -5.507 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.961 -3.412 -5.312 1.00 0.00 H new ATOM 795 N LEU A 50 -4.978 -1.501 -4.305 1.00 0.00 N ATOM 796 CA LEU A 50 -3.900 -0.779 -3.638 1.00 0.00 C ATOM 797 C LEU A 50 -4.206 0.713 -3.567 1.00 0.00 C ATOM 798 O LEU A 50 -4.680 1.307 -4.536 1.00 0.00 O ATOM 799 CB LEU A 50 -2.577 -1.006 -4.372 1.00 0.00 C ATOM 800 CG LEU A 50 -1.829 -2.294 -4.024 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.677 -2.519 -4.991 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.322 -2.245 -2.590 1.00 0.00 C ATOM 0 H LEU A 50 -5.078 -1.287 -5.297 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.814 -1.162 -2.621 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.774 -1.002 -5.444 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.920 -0.161 -4.166 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.522 -3.130 -4.115 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -0.156 -3.440 -4.728 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -1.065 -2.598 -6.007 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.017 -1.680 -4.932 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.792 -3.169 -2.360 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.644 -1.399 -2.472 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.166 -2.131 -1.909 1.00 0.00 H new ATOM 814 N PHE A 51 -3.929 1.315 -2.415 1.00 0.00 N ATOM 815 CA PHE A 51 -4.173 2.739 -2.218 1.00 0.00 C ATOM 816 C PHE A 51 -3.142 3.342 -1.269 1.00 0.00 C ATOM 817 O PHE A 51 -2.996 2.898 -0.130 1.00 0.00 O ATOM 818 CB PHE A 51 -5.583 2.965 -1.667 1.00 0.00 C ATOM 819 CG PHE A 51 -6.669 2.479 -2.584 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.944 3.144 -3.768 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.416 1.358 -2.261 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.943 2.700 -4.613 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.416 0.908 -3.102 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.681 1.581 -4.280 1.00 0.00 C ATOM 0 H PHE A 51 -3.535 0.839 -1.604 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.084 3.234 -3.185 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.675 2.458 -0.707 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.725 4.029 -1.480 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.371 4.020 -4.034 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.214 0.829 -1.341 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.147 3.228 -5.533 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.990 0.032 -2.839 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.463 1.233 -4.938 1.00 0.00 H new ATOM 834 N TYR A 52 -2.428 4.355 -1.747 1.00 0.00 N ATOM 835 CA TYR A 52 -1.407 5.017 -0.944 1.00 0.00 C ATOM 836 C TYR A 52 -1.708 6.506 -0.801 1.00 0.00 C ATOM 837 O TYR A 52 -2.368 7.102 -1.652 1.00 0.00 O ATOM 838 CB TYR A 52 -0.027 4.823 -1.573 1.00 0.00 C ATOM 839 CG TYR A 52 0.004 5.093 -3.060 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.036 6.392 -3.551 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.072 4.049 -3.975 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.008 6.644 -4.909 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.102 4.292 -5.335 1.00 0.00 C ATOM 844 CZ TYR A 52 0.061 5.591 -5.797 1.00 0.00 C ATOM 845 OH TYR A 52 0.089 5.836 -7.150 1.00 0.00 O ATOM 0 H TYR A 52 -2.538 4.736 -2.687 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.413 4.566 0.048 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.685 5.483 -1.077 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.306 3.801 -1.391 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.090 7.219 -2.859 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.102 3.031 -3.617 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.040 7.660 -5.273 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.157 3.469 -6.032 1.00 0.00 H new ATOM 0 HH TYR A 52 0.139 4.986 -7.635 1.00 0.00 H new ATOM 855 N TYR A 53 -1.218 7.100 0.282 1.00 0.00 N ATOM 856 CA TYR A 53 -1.435 8.519 0.539 1.00 0.00 C ATOM 857 C TYR A 53 -0.131 9.207 0.933 1.00 0.00 C ATOM 858 O TYR A 53 0.901 8.557 1.098 1.00 0.00 O ATOM 859 CB TYR A 53 -2.477 8.705 1.643 1.00 0.00 C ATOM 860 CG TYR A 53 -3.711 7.850 1.461 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.630 6.464 1.495 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.957 8.429 1.258 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.755 5.679 1.329 1.00 0.00 C ATOM 864 CE2 TYR A 53 -6.088 7.652 1.092 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.981 6.277 1.128 1.00 0.00 C ATOM 866 OH TYR A 53 -7.104 5.499 0.964 1.00 0.00 O ATOM 0 H TYR A 53 -0.668 6.621 0.995 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.803 8.977 -0.379 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.021 8.470 2.605 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.773 9.753 1.678 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.672 5.992 1.654 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.044 9.505 1.229 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -4.674 4.602 1.357 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -7.049 8.118 0.935 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.885 6.076 0.834 1.00 0.00 H new ATOM 876 N ARG A 54 -0.188 10.526 1.084 1.00 0.00 N ATOM 877 CA ARG A 54 0.987 11.303 1.459 1.00 0.00 C ATOM 878 C ARG A 54 1.603 10.770 2.749 1.00 0.00 C ATOM 879 O ARG A 54 2.818 10.592 2.841 1.00 0.00 O ATOM 880 CB ARG A 54 0.617 12.778 1.629 1.00 0.00 C ATOM 881 CG ARG A 54 0.524 13.538 0.317 1.00 0.00 C ATOM 882 CD ARG A 54 0.789 15.023 0.513 1.00 0.00 C ATOM 883 NE ARG A 54 0.968 15.720 -0.757 1.00 0.00 N ATOM 884 CZ ARG A 54 2.129 15.787 -1.401 1.00 0.00 C ATOM 885 NH1 ARG A 54 3.206 15.201 -0.896 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.213 16.439 -2.553 1.00 0.00 N ATOM 0 H ARG A 54 -1.035 11.079 0.952 1.00 0.00 H new ATOM 0 HA ARG A 54 1.723 11.210 0.660 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.340 12.846 2.147 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.360 13.259 2.266 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.243 13.130 -0.393 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.466 13.398 -0.116 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.042 15.471 1.058 1.00 0.00 H new ATOM 0 HD3 ARG A 54 1.680 15.154 1.127 1.00 0.00 H new ATOM 0 HE ARG A 54 0.158 16.181 -1.173 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.145 14.697 -0.011 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.096 15.254 -1.392 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.386 16.890 -2.945 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.104 16.490 -3.046 1.00 0.00 H new ATOM 900 N ASP A 55 0.757 10.518 3.742 1.00 0.00 N ATOM 901 CA ASP A 55 1.218 10.005 5.027 1.00 0.00 C ATOM 902 C ASP A 55 0.096 9.266 5.750 1.00 0.00 C ATOM 903 O ASP A 55 -1.010 9.133 5.228 1.00 0.00 O ATOM 904 CB ASP A 55 1.739 11.147 5.899 1.00 0.00 C ATOM 905 CG ASP A 55 2.740 10.674 6.936 1.00 0.00 C ATOM 906 OD1 ASP A 55 3.916 10.469 6.573 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.345 10.509 8.109 1.00 0.00 O ATOM 0 H ASP A 55 -0.251 10.661 3.682 1.00 0.00 H new ATOM 0 HA ASP A 55 2.030 9.303 4.840 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.206 11.901 5.265 1.00 0.00 H new ATOM 0 HB3 ASP A 55 0.900 11.629 6.401 1.00 0.00 H new ATOM 912 N GLU A 56 0.391 8.787 6.955 1.00 0.00 N ATOM 913 CA GLU A 56 -0.593 8.060 7.749 1.00 0.00 C ATOM 914 C GLU A 56 -1.900 8.842 7.844 1.00 0.00 C ATOM 915 O GLU A 56 -2.964 8.268 8.076 1.00 0.00 O ATOM 916 CB GLU A 56 -0.047 7.786 9.152 1.00 0.00 C ATOM 917 CG GLU A 56 0.364 9.042 9.902 1.00 0.00 C ATOM 918 CD GLU A 56 0.210 8.901 11.404 1.00 0.00 C ATOM 919 OE1 GLU A 56 -0.933 8.710 11.868 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.234 8.982 12.114 1.00 0.00 O ATOM 0 H GLU A 56 1.302 8.889 7.402 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.793 7.110 7.253 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.805 7.259 9.731 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.814 7.122 9.074 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.402 9.277 9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.239 9.881 9.556 1.00 0.00 H new ATOM 927 N LYS A 57 -1.811 10.155 7.664 1.00 0.00 N ATOM 928 CA LYS A 57 -2.985 11.018 7.728 1.00 0.00 C ATOM 929 C LYS A 57 -4.056 10.553 6.747 1.00 0.00 C ATOM 930 O LYS A 57 -5.248 10.766 6.969 1.00 0.00 O ATOM 931 CB LYS A 57 -2.596 12.467 7.426 1.00 0.00 C ATOM 932 CG LYS A 57 -1.458 12.984 8.289 1.00 0.00 C ATOM 933 CD LYS A 57 -1.897 13.183 9.730 1.00 0.00 C ATOM 934 CE LYS A 57 -0.719 13.525 10.629 1.00 0.00 C ATOM 935 NZ LYS A 57 0.224 12.380 10.767 1.00 0.00 N ATOM 0 H LYS A 57 -0.937 10.646 7.472 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.392 10.961 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.310 12.547 6.377 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.468 13.106 7.568 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.626 12.281 8.255 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.094 13.929 7.885 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.637 13.981 9.779 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.382 12.276 10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.188 14.385 10.221 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.086 13.814 11.614 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 0.875 12.560 11.558 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.313 11.508 10.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.769 12.272 9.888 1.00 0.00 H new ATOM 949 N GLU A 58 -3.624 9.916 5.663 1.00 0.00 N ATOM 950 CA GLU A 58 -4.547 9.420 4.649 1.00 0.00 C ATOM 951 C GLU A 58 -5.448 10.542 4.139 1.00 0.00 C ATOM 952 O GLU A 58 -6.668 10.393 4.081 1.00 0.00 O ATOM 953 CB GLU A 58 -5.401 8.284 5.216 1.00 0.00 C ATOM 954 CG GLU A 58 -4.786 6.907 5.025 1.00 0.00 C ATOM 955 CD GLU A 58 -5.381 5.869 5.956 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.004 5.853 7.147 1.00 0.00 O ATOM 957 OE2 GLU A 58 -6.223 5.071 5.494 1.00 0.00 O ATOM 0 H GLU A 58 -2.641 9.731 5.465 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.959 9.040 3.814 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.561 8.457 6.280 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.381 8.304 4.739 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.930 6.589 3.992 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.711 6.967 5.193 1.00 0.00 H new ATOM 964 N GLU A 59 -4.836 11.663 3.772 1.00 0.00 N ATOM 965 CA GLU A 59 -5.583 12.810 3.269 1.00 0.00 C ATOM 966 C GLU A 59 -5.557 12.849 1.743 1.00 0.00 C ATOM 967 O GLU A 59 -4.611 13.354 1.140 1.00 0.00 O ATOM 968 CB GLU A 59 -5.006 14.110 3.833 1.00 0.00 C ATOM 969 CG GLU A 59 -5.170 14.247 5.337 1.00 0.00 C ATOM 970 CD GLU A 59 -4.721 15.601 5.852 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.193 16.625 5.316 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.897 15.636 6.790 1.00 0.00 O ATOM 0 H GLU A 59 -3.826 11.802 3.813 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.618 12.709 3.596 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.946 14.165 3.585 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.491 14.955 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.216 14.091 5.600 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.596 13.465 5.834 1.00 0.00 H new ATOM 979 N GLY A 60 -6.605 12.311 1.126 1.00 0.00 N ATOM 980 CA GLY A 60 -6.683 12.293 -0.323 1.00 0.00 C ATOM 981 C GLY A 60 -5.675 11.348 -0.947 1.00 0.00 C ATOM 982 O GLY A 60 -4.470 11.489 -0.736 1.00 0.00 O ATOM 0 H GLY A 60 -7.401 11.888 1.604 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.688 11.999 -0.626 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.517 13.300 -0.705 1.00 0.00 H new ATOM 986 N ILE A 61 -6.168 10.382 -1.714 1.00 0.00 N ATOM 987 CA ILE A 61 -5.302 9.410 -2.369 1.00 0.00 C ATOM 988 C ILE A 61 -4.524 10.050 -3.513 1.00 0.00 C ATOM 989 O ILE A 61 -5.096 10.738 -4.360 1.00 0.00 O ATOM 990 CB ILE A 61 -6.107 8.216 -2.916 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.640 7.362 -1.763 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.245 7.378 -3.848 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.576 6.261 -2.210 1.00 0.00 C ATOM 0 H ILE A 61 -7.163 10.252 -1.897 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.603 9.051 -1.613 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.955 8.598 -3.484 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.799 6.919 -1.231 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.161 8.006 -1.055 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.828 6.538 -4.226 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.909 7.992 -4.684 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.379 7.002 -3.303 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.915 5.696 -1.341 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.436 6.698 -2.717 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.052 5.594 -2.895 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.216 9.819 -3.534 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.357 10.372 -4.576 1.00 0.00 C ATOM 1007 C LEU A 62 -2.445 9.540 -5.852 1.00 0.00 C ATOM 1008 O LEU A 62 -2.227 10.047 -6.952 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.908 10.432 -4.092 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.710 10.654 -2.592 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.758 10.899 -2.278 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.562 11.818 -2.108 1.00 0.00 C ATOM 0 H LEU A 62 -2.727 9.252 -2.841 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.701 11.382 -4.798 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.414 9.501 -4.369 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.400 11.234 -4.628 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.028 9.754 -2.066 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.880 11.055 -1.206 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.346 10.035 -2.588 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.102 11.783 -2.815 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.408 11.961 -1.038 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.275 12.725 -2.641 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.614 11.603 -2.298 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.768 8.260 -5.697 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.882 7.379 -6.844 1.00 0.00 C ATOM 1026 C GLY A 63 -3.215 5.954 -6.451 1.00 0.00 C ATOM 1027 O GLY A 63 -2.568 5.377 -5.576 1.00 0.00 O ATOM 0 H GLY A 63 -2.953 7.817 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.654 7.758 -7.513 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.945 7.389 -7.400 1.00 0.00 H new ATOM 1031 N SER A 64 -4.228 5.384 -7.096 1.00 0.00 N ATOM 1032 CA SER A 64 -4.649 4.019 -6.805 1.00 0.00 C ATOM 1033 C SER A 64 -4.010 3.034 -7.779 1.00 0.00 C ATOM 1034 O SER A 64 -3.696 3.384 -8.916 1.00 0.00 O ATOM 1035 CB SER A 64 -6.173 3.908 -6.874 1.00 0.00 C ATOM 1036 OG SER A 64 -6.673 4.486 -8.068 1.00 0.00 O ATOM 0 H SER A 64 -4.772 5.847 -7.824 1.00 0.00 H new ATOM 0 HA SER A 64 -4.319 3.770 -5.796 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.467 2.860 -6.823 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.616 4.406 -6.012 1.00 0.00 H new ATOM 0 HG SER A 64 -7.649 4.401 -8.089 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.822 1.800 -7.323 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.223 0.763 -8.154 1.00 0.00 C ATOM 1044 C ILE A 65 -4.048 -0.519 -8.115 1.00 0.00 C ATOM 1045 O ILE A 65 -4.369 -1.032 -7.042 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.783 0.446 -7.707 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.831 1.556 -8.156 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.339 -0.898 -8.264 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.503 1.534 -7.443 1.00 0.00 C ATOM 0 H ILE A 65 -4.076 1.494 -6.384 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.203 1.148 -9.173 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.760 0.391 -6.619 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.662 1.466 -9.229 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.307 2.522 -7.988 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.320 -1.108 -7.939 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -2.004 -1.681 -7.899 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.374 -0.870 -9.353 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.126 2.349 -7.812 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.345 1.655 -6.371 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.001 0.583 -7.631 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.389 -1.032 -9.292 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.176 -2.256 -9.394 1.00 0.00 C ATOM 1063 C LEU A 66 -4.274 -3.486 -9.383 1.00 0.00 C ATOM 1064 O LEU A 66 -3.514 -3.720 -10.323 1.00 0.00 O ATOM 1065 CB LEU A 66 -6.019 -2.239 -10.670 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.425 -1.653 -10.538 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.293 -2.539 -9.658 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.363 -0.239 -9.978 1.00 0.00 C ATOM 0 H LEU A 66 -4.133 -0.619 -10.189 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.838 -2.306 -8.529 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.481 -1.672 -11.430 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.106 -3.261 -11.037 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.874 -1.610 -11.530 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.290 -2.106 -9.576 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.365 -3.533 -10.100 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.848 -2.615 -8.666 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.373 0.162 -9.891 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.894 -0.257 -8.994 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.778 0.392 -10.647 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.366 -4.270 -8.315 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.560 -5.479 -8.182 1.00 0.00 C ATOM 1082 C LEU A 67 -4.037 -6.560 -9.146 1.00 0.00 C ATOM 1083 O LEU A 67 -3.243 -7.249 -9.788 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.618 -5.999 -6.745 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.611 -5.390 -5.768 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.881 -5.873 -4.352 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.189 -5.730 -6.188 1.00 0.00 C ATOM 0 H LEU A 67 -4.990 -4.091 -7.529 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.529 -5.227 -8.429 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.621 -5.824 -6.357 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.468 -7.078 -6.764 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.725 -4.306 -5.787 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.155 -5.429 -3.671 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.887 -5.578 -4.052 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.796 -6.959 -4.316 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.486 -5.289 -5.482 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.062 -6.812 -6.198 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.999 -5.333 -7.185 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.365 -6.714 -9.253 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.978 -7.708 -10.139 1.00 0.00 C ATOM 1101 C PRO A 68 -5.381 -7.680 -11.543 1.00 0.00 C ATOM 1102 O PRO A 68 -5.437 -8.671 -12.271 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.450 -7.291 -10.176 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.672 -6.570 -8.891 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.370 -5.928 -8.518 1.00 0.00 C ATOM 0 HA PRO A 68 -5.818 -8.725 -9.782 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.658 -6.648 -11.032 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.105 -8.158 -10.262 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.455 -5.819 -9.000 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.999 -7.260 -8.113 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.345 -4.877 -8.807 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.199 -5.967 -7.442 1.00 0.00 H new ATOM 1113 N SER A 69 -4.811 -6.539 -11.916 1.00 0.00 N ATOM 1114 CA SER A 69 -4.207 -6.381 -13.233 1.00 0.00 C ATOM 1115 C SER A 69 -2.715 -6.700 -13.189 1.00 0.00 C ATOM 1116 O SER A 69 -2.127 -7.113 -14.188 1.00 0.00 O ATOM 1117 CB SER A 69 -4.420 -4.956 -13.748 1.00 0.00 C ATOM 1118 OG SER A 69 -5.787 -4.717 -14.034 1.00 0.00 O ATOM 0 H SER A 69 -4.755 -5.710 -11.324 1.00 0.00 H new ATOM 0 HA SER A 69 -4.691 -7.082 -13.913 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.070 -4.241 -13.004 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.824 -4.798 -14.647 1.00 0.00 H new ATOM 0 HG SER A 69 -5.897 -3.799 -14.360 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.110 -6.505 -12.022 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.687 -6.771 -11.846 1.00 0.00 C ATOM 1126 C PHE A 70 -0.425 -8.268 -11.709 1.00 0.00 C ATOM 1127 O PHE A 70 -1.355 -9.057 -11.541 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.158 -6.034 -10.613 1.00 0.00 C ATOM 1129 CG PHE A 70 0.353 -4.654 -10.913 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.565 -4.475 -11.560 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.379 -3.535 -10.548 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.038 -3.206 -11.836 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.089 -2.264 -10.822 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.298 -2.099 -11.468 1.00 0.00 C ATOM 0 H PHE A 70 -2.582 -6.164 -11.185 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.163 -6.409 -12.731 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.954 -5.965 -9.872 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.644 -6.621 -10.165 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.147 -5.337 -11.852 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.326 -3.658 -10.044 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.985 -3.080 -12.339 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.491 -1.400 -10.531 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.664 -1.107 -11.685 1.00 0.00 H new ATOM 1144 N GLN A 71 0.845 -8.650 -11.783 1.00 0.00 N ATOM 1145 CA GLN A 71 1.229 -10.052 -11.668 1.00 0.00 C ATOM 1146 C GLN A 71 2.359 -10.227 -10.659 1.00 0.00 C ATOM 1147 O GLN A 71 3.499 -9.840 -10.916 1.00 0.00 O ATOM 1148 CB GLN A 71 1.658 -10.598 -13.031 1.00 0.00 C ATOM 1149 CG GLN A 71 2.674 -11.725 -12.942 1.00 0.00 C ATOM 1150 CD GLN A 71 2.748 -12.546 -14.215 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.711 -12.004 -15.320 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.853 -13.861 -14.066 1.00 0.00 N ATOM 0 H GLN A 71 1.626 -8.009 -11.922 1.00 0.00 H new ATOM 0 HA GLN A 71 0.363 -10.612 -11.316 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.777 -10.956 -13.564 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.080 -9.785 -13.622 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.657 -11.307 -12.726 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.415 -12.377 -12.108 1.00 0.00 H new ATOM 0 HE21 GLN A 71 2.880 -14.268 -13.131 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.907 -14.465 -14.887 1.00 0.00 H new ATOM 1161 N ILE A 72 2.034 -10.810 -9.510 1.00 0.00 N ATOM 1162 CA ILE A 72 3.022 -11.036 -8.462 1.00 0.00 C ATOM 1163 C ILE A 72 3.865 -12.271 -8.760 1.00 0.00 C ATOM 1164 O ILE A 72 3.360 -13.393 -8.768 1.00 0.00 O ATOM 1165 CB ILE A 72 2.353 -11.205 -7.085 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.092 -10.343 -6.997 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.328 -10.842 -5.975 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.316 -8.902 -7.401 1.00 0.00 C ATOM 0 H ILE A 72 1.094 -11.134 -9.281 1.00 0.00 H new ATOM 0 HA ILE A 72 3.665 -10.156 -8.439 1.00 0.00 H new ATOM 0 HB ILE A 72 2.065 -12.249 -6.963 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.321 -10.775 -7.635 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.713 -10.371 -5.975 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.841 -10.966 -5.008 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.200 -11.494 -6.029 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.643 -9.805 -6.092 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.380 -8.350 -7.314 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.064 -8.453 -6.747 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.666 -8.864 -8.433 1.00 0.00 H new ATOM 1180 N ALA A 73 5.154 -12.056 -9.002 1.00 0.00 N ATOM 1181 CA ALA A 73 6.070 -13.152 -9.296 1.00 0.00 C ATOM 1182 C ALA A 73 7.469 -12.854 -8.768 1.00 0.00 C ATOM 1183 O ALA A 73 7.981 -11.745 -8.927 1.00 0.00 O ATOM 1184 CB ALA A 73 6.113 -13.416 -10.793 1.00 0.00 C ATOM 0 H ALA A 73 5.588 -11.133 -9.000 1.00 0.00 H new ATOM 0 HA ALA A 73 5.703 -14.046 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.801 -14.236 -10.998 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.116 -13.682 -11.144 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.453 -12.519 -11.311 1.00 0.00 H new ATOM 1190 N LEU A 74 8.084 -13.851 -8.140 1.00 0.00 N ATOM 1191 CA LEU A 74 9.425 -13.696 -7.588 1.00 0.00 C ATOM 1192 C LEU A 74 10.375 -13.103 -8.625 1.00 0.00 C ATOM 1193 O LEU A 74 10.210 -13.316 -9.827 1.00 0.00 O ATOM 1194 CB LEU A 74 9.958 -15.045 -7.104 1.00 0.00 C ATOM 1195 CG LEU A 74 9.261 -15.642 -5.881 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.237 -16.473 -5.063 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.648 -14.542 -5.027 1.00 0.00 C ATOM 0 H LEU A 74 7.675 -14.775 -8.001 1.00 0.00 H new ATOM 0 HA LEU A 74 9.366 -13.011 -6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.883 -15.758 -7.925 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.018 -14.933 -6.875 1.00 0.00 H new ATOM 0 HG LEU A 74 8.460 -16.296 -6.226 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.723 -16.890 -4.197 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.629 -17.284 -5.677 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.060 -15.842 -4.728 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.156 -14.985 -4.161 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.432 -13.863 -4.691 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.916 -13.989 -5.616 1.00 0.00 H new ATOM 1209 N LEU A 75 11.371 -12.362 -8.151 1.00 0.00 N ATOM 1210 CA LEU A 75 12.350 -11.741 -9.037 1.00 0.00 C ATOM 1211 C LEU A 75 13.154 -12.798 -9.786 1.00 0.00 C ATOM 1212 O LEU A 75 13.081 -13.987 -9.474 1.00 0.00 O ATOM 1213 CB LEU A 75 13.291 -10.840 -8.236 1.00 0.00 C ATOM 1214 CG LEU A 75 12.623 -9.759 -7.385 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.669 -8.945 -6.639 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.760 -8.854 -8.253 1.00 0.00 C ATOM 0 H LEU A 75 11.522 -12.177 -7.159 1.00 0.00 H new ATOM 0 HA LEU A 75 11.812 -11.137 -9.767 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.894 -11.469 -7.581 1.00 0.00 H new ATOM 0 HB3 LEU A 75 13.976 -10.355 -8.931 1.00 0.00 H new ATOM 0 HG LEU A 75 11.980 -10.246 -6.652 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.175 -8.181 -6.039 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.245 -9.602 -5.987 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.338 -8.468 -7.355 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.293 -8.091 -7.631 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.382 -8.375 -9.009 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.987 -9.447 -8.741 1.00 0.00 H new ATOM 1377 N TYR A 85 14.360 -10.644 -0.313 1.00 0.00 N ATOM 1378 CA TYR A 85 12.996 -10.639 0.202 1.00 0.00 C ATOM 1379 C TYR A 85 12.144 -9.603 -0.525 1.00 0.00 C ATOM 1380 O TYR A 85 11.295 -8.948 0.077 1.00 0.00 O ATOM 1381 CB TYR A 85 12.997 -10.351 1.704 1.00 0.00 C ATOM 1382 CG TYR A 85 13.850 -11.309 2.504 1.00 0.00 C ATOM 1383 CD1 TYR A 85 13.433 -12.614 2.736 1.00 0.00 C ATOM 1384 CD2 TYR A 85 15.074 -10.909 3.027 1.00 0.00 C ATOM 1385 CE1 TYR A 85 14.209 -13.492 3.467 1.00 0.00 C ATOM 1386 CE2 TYR A 85 15.857 -11.782 3.758 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.420 -13.072 3.975 1.00 0.00 C ATOM 1388 OH TYR A 85 16.197 -13.944 4.703 1.00 0.00 O ATOM 0 HA TYR A 85 12.565 -11.625 0.028 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.354 -9.335 1.870 1.00 0.00 H new ATOM 0 HB3 TYR A 85 11.973 -10.394 2.074 1.00 0.00 H new ATOM 0 HD1 TYR A 85 12.486 -12.947 2.338 1.00 0.00 H new ATOM 0 HD2 TYR A 85 15.419 -9.899 2.859 1.00 0.00 H new ATOM 0 HE1 TYR A 85 13.869 -14.502 3.640 1.00 0.00 H new ATOM 0 HE2 TYR A 85 16.806 -11.456 4.157 1.00 0.00 H new ATOM 0 HH TYR A 85 17.018 -13.491 4.987 1.00 0.00 H new ATOM 1398 N ALA A 86 12.378 -9.462 -1.826 1.00 0.00 N ATOM 1399 CA ALA A 86 11.631 -8.509 -2.638 1.00 0.00 C ATOM 1400 C ALA A 86 10.979 -9.197 -3.832 1.00 0.00 C ATOM 1401 O ALA A 86 11.406 -10.274 -4.250 1.00 0.00 O ATOM 1402 CB ALA A 86 12.544 -7.386 -3.107 1.00 0.00 C ATOM 0 H ALA A 86 13.079 -9.996 -2.340 1.00 0.00 H new ATOM 0 HA ALA A 86 10.839 -8.085 -2.020 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.973 -6.682 -3.712 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.958 -6.868 -2.242 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.356 -7.802 -3.704 1.00 0.00 H new ATOM 1408 N PHE A 87 9.942 -8.570 -4.377 1.00 0.00 N ATOM 1409 CA PHE A 87 9.230 -9.124 -5.523 1.00 0.00 C ATOM 1410 C PHE A 87 8.993 -8.054 -6.585 1.00 0.00 C ATOM 1411 O PHE A 87 9.422 -6.909 -6.436 1.00 0.00 O ATOM 1412 CB PHE A 87 7.893 -9.722 -5.079 1.00 0.00 C ATOM 1413 CG PHE A 87 7.258 -8.987 -3.933 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.862 -8.966 -2.686 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.057 -8.317 -4.103 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.281 -8.290 -1.630 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.472 -7.639 -3.050 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.084 -7.627 -1.812 1.00 0.00 C ATOM 0 H PHE A 87 9.576 -7.678 -4.044 1.00 0.00 H new ATOM 0 HA PHE A 87 9.847 -9.911 -5.956 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.206 -9.723 -5.925 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.047 -10.762 -4.792 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.798 -9.484 -2.538 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.573 -8.325 -5.068 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.763 -8.280 -0.663 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.537 -7.119 -3.195 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.627 -7.100 -0.988 1.00 0.00 H new ATOM 1428 N LYS A 88 8.308 -8.435 -7.657 1.00 0.00 N ATOM 1429 CA LYS A 88 8.013 -7.510 -8.745 1.00 0.00 C ATOM 1430 C LYS A 88 6.638 -7.794 -9.342 1.00 0.00 C ATOM 1431 O LYS A 88 6.258 -8.949 -9.530 1.00 0.00 O ATOM 1432 CB LYS A 88 9.084 -7.613 -9.834 1.00 0.00 C ATOM 1433 CG LYS A 88 9.018 -8.903 -10.632 1.00 0.00 C ATOM 1434 CD LYS A 88 9.871 -8.826 -11.887 1.00 0.00 C ATOM 1435 CE LYS A 88 9.418 -9.835 -12.932 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.380 -9.931 -14.064 1.00 0.00 N ATOM 0 H LYS A 88 7.946 -9.379 -7.796 1.00 0.00 H new ATOM 0 HA LYS A 88 8.012 -6.499 -8.339 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.980 -6.769 -10.515 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.068 -7.531 -9.373 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.356 -9.733 -10.012 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.984 -9.110 -10.906 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.817 -7.820 -12.304 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.914 -9.010 -11.631 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.306 -10.814 -12.467 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.437 -9.549 -13.312 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.035 -10.629 -14.754 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.468 -9.003 -14.524 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.310 -10.229 -13.705 1.00 0.00 H new ATOM 1450 N ALA A 89 5.896 -6.731 -9.639 1.00 0.00 N ATOM 1451 CA ALA A 89 4.565 -6.866 -10.218 1.00 0.00 C ATOM 1452 C ALA A 89 4.537 -6.356 -11.654 1.00 0.00 C ATOM 1453 O ALA A 89 4.871 -5.202 -11.920 1.00 0.00 O ATOM 1454 CB ALA A 89 3.544 -6.122 -9.371 1.00 0.00 C ATOM 0 H ALA A 89 6.195 -5.767 -9.488 1.00 0.00 H new ATOM 0 HA ALA A 89 4.307 -7.925 -10.232 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.554 -6.231 -9.815 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.537 -6.536 -8.363 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.808 -5.065 -9.328 1.00 0.00 H new ATOM 1460 N ALA A 90 4.136 -7.224 -12.578 1.00 0.00 N ATOM 1461 CA ALA A 90 4.063 -6.860 -13.987 1.00 0.00 C ATOM 1462 C ALA A 90 2.661 -6.393 -14.362 1.00 0.00 C ATOM 1463 O ALA A 90 1.668 -6.888 -13.828 1.00 0.00 O ATOM 1464 CB ALA A 90 4.481 -8.036 -14.858 1.00 0.00 C ATOM 0 H ALA A 90 3.857 -8.184 -12.375 1.00 0.00 H new ATOM 0 HA ALA A 90 4.751 -6.032 -14.159 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.422 -7.750 -15.908 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.505 -8.322 -14.617 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.816 -8.880 -14.674 1.00 0.00 H new ATOM 1470 N HIS A 91 2.586 -5.438 -15.283 1.00 0.00 N ATOM 1471 CA HIS A 91 1.304 -4.905 -15.729 1.00 0.00 C ATOM 1472 C HIS A 91 1.267 -4.779 -17.249 1.00 0.00 C ATOM 1473 O HIS A 91 2.247 -4.397 -17.889 1.00 0.00 O ATOM 1474 CB HIS A 91 1.043 -3.542 -15.087 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.410 -3.189 -15.000 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.106 -2.606 -16.038 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.299 -3.341 -13.991 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.360 -2.413 -15.671 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.504 -2.851 -14.433 1.00 0.00 N ATOM 0 H HIS A 91 3.398 -5.017 -15.735 1.00 0.00 H new ATOM 0 HA HIS A 91 0.523 -5.600 -15.420 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.471 -3.534 -14.085 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.561 -2.774 -15.661 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.099 -3.768 -13.019 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.136 -1.972 -16.279 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.369 -2.829 -13.893 1.00 0.00 H new ATOM 1488 N PRO A 92 0.110 -5.107 -17.843 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.082 -5.039 -19.295 1.00 0.00 C ATOM 1490 C PRO A 92 -0.226 -3.606 -19.794 1.00 0.00 C ATOM 1491 O PRO A 92 0.440 -3.201 -20.745 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.383 -5.816 -19.517 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.136 -5.666 -18.240 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.100 -5.570 -17.143 1.00 0.00 C ATOM 0 HA PRO A 92 0.771 -5.445 -19.839 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.946 -5.413 -20.359 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.185 -6.865 -19.739 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.763 -4.775 -18.261 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.797 -6.517 -18.077 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.405 -4.870 -16.365 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.939 -6.534 -16.660 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.099 -2.843 -19.145 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.330 -1.453 -19.524 1.00 0.00 C ATOM 1504 C ASN A 93 -0.408 -0.518 -18.747 1.00 0.00 C ATOM 1505 O ASN A 93 -0.588 0.700 -18.761 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.790 -1.071 -19.275 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.671 -1.337 -20.481 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.178 -1.566 -21.585 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.982 -1.307 -20.273 1.00 0.00 N ATOM 0 H ASN A 93 -1.658 -3.163 -18.354 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.111 -1.350 -20.587 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.169 -1.632 -18.421 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.847 -0.014 -19.013 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.625 -1.478 -21.046 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.346 -1.113 -19.340 1.00 0.00 H new ATOM 1516 N MET A 94 0.580 -1.096 -18.072 1.00 0.00 N ATOM 1517 CA MET A 94 1.531 -0.313 -17.291 1.00 0.00 C ATOM 1518 C MET A 94 2.903 -0.980 -17.279 1.00 0.00 C ATOM 1519 O MET A 94 3.116 -1.994 -17.943 1.00 0.00 O ATOM 1520 CB MET A 94 1.024 -0.136 -15.858 1.00 0.00 C ATOM 1521 CG MET A 94 0.068 1.034 -15.692 1.00 0.00 C ATOM 1522 SD MET A 94 -1.057 0.819 -14.300 1.00 0.00 S ATOM 1523 CE MET A 94 0.095 0.402 -12.994 1.00 0.00 C ATOM 0 H MET A 94 0.743 -2.103 -18.050 1.00 0.00 H new ATOM 0 HA MET A 94 1.627 0.667 -17.758 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.523 -1.051 -15.543 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.877 0.005 -15.194 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.642 1.950 -15.552 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.512 1.157 -16.607 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.440 0.326 -12.047 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.571 -0.552 -13.220 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.856 1.178 -12.919 1.00 0.00 H new ATOM 1533 N ARG A 95 3.829 -0.404 -16.519 1.00 0.00 N ATOM 1534 CA ARG A 95 5.180 -0.942 -16.422 1.00 0.00 C ATOM 1535 C ARG A 95 5.282 -1.953 -15.284 1.00 0.00 C ATOM 1536 O ARG A 95 4.297 -2.240 -14.603 1.00 0.00 O ATOM 1537 CB ARG A 95 6.188 0.188 -16.206 1.00 0.00 C ATOM 1538 CG ARG A 95 5.875 1.062 -15.003 1.00 0.00 C ATOM 1539 CD ARG A 95 7.095 1.852 -14.555 1.00 0.00 C ATOM 1540 NE ARG A 95 7.402 2.949 -15.470 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.750 4.106 -15.476 1.00 0.00 C ATOM 1542 NH1 ARG A 95 5.761 4.317 -14.619 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.089 5.055 -16.339 1.00 0.00 N ATOM 0 H ARG A 95 3.668 0.435 -15.962 1.00 0.00 H new ATOM 0 HA ARG A 95 5.410 -1.450 -17.359 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.182 -0.242 -16.083 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.219 0.812 -17.099 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.067 1.749 -15.252 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.522 0.439 -14.181 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.922 2.251 -13.556 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.954 1.185 -14.487 1.00 0.00 H new ATOM 0 HE ARG A 95 8.159 2.819 -16.141 1.00 0.00 H new ATOM 0 HH11 ARG A 95 5.499 3.590 -13.953 1.00 0.00 H new ATOM 0 HH12 ARG A 95 5.262 5.206 -14.625 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.851 4.896 -16.998 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.588 5.943 -16.343 1.00 0.00 H new ATOM 1557 N THR A 96 6.481 -2.492 -15.083 1.00 0.00 N ATOM 1558 CA THR A 96 6.712 -3.472 -14.030 1.00 0.00 C ATOM 1559 C THR A 96 7.122 -2.793 -12.728 1.00 0.00 C ATOM 1560 O THR A 96 8.151 -2.120 -12.665 1.00 0.00 O ATOM 1561 CB THR A 96 7.801 -4.484 -14.433 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.403 -5.188 -15.614 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.062 -5.475 -13.308 1.00 0.00 C ATOM 0 H THR A 96 7.307 -2.266 -15.637 1.00 0.00 H new ATOM 0 HA THR A 96 5.772 -4.002 -13.880 1.00 0.00 H new ATOM 0 HB THR A 96 8.721 -3.934 -14.632 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.102 -5.828 -15.864 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.835 -6.180 -13.616 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.394 -4.938 -12.420 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.145 -6.018 -13.082 1.00 0.00 H new ATOM 1571 N TYR A 97 6.312 -2.975 -11.691 1.00 0.00 N ATOM 1572 CA TYR A 97 6.590 -2.378 -10.390 1.00 0.00 C ATOM 1573 C TYR A 97 7.478 -3.291 -9.550 1.00 0.00 C ATOM 1574 O TYR A 97 7.612 -4.481 -9.838 1.00 0.00 O ATOM 1575 CB TYR A 97 5.284 -2.093 -9.646 1.00 0.00 C ATOM 1576 CG TYR A 97 4.535 -0.892 -10.177 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.359 -0.705 -11.543 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.001 0.056 -9.313 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.676 0.391 -12.032 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.315 1.155 -9.793 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.156 1.318 -11.153 1.00 0.00 C ATOM 1582 OH TYR A 97 2.473 2.411 -11.636 1.00 0.00 O ATOM 0 H TYR A 97 5.458 -3.531 -11.726 1.00 0.00 H new ATOM 0 HA TYR A 97 7.118 -1.439 -10.555 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.640 -2.970 -9.710 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.504 -1.936 -8.590 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.764 -1.430 -12.234 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.124 -0.068 -8.247 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.550 0.522 -13.097 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.906 1.882 -9.107 1.00 0.00 H new ATOM 0 HH TYR A 97 2.171 2.965 -10.886 1.00 0.00 H new ATOM 1592 N TYR A 98 8.081 -2.726 -8.510 1.00 0.00 N ATOM 1593 CA TYR A 98 8.957 -3.488 -7.628 1.00 0.00 C ATOM 1594 C TYR A 98 8.717 -3.116 -6.168 1.00 0.00 C ATOM 1595 O TYR A 98 8.712 -1.939 -5.808 1.00 0.00 O ATOM 1596 CB TYR A 98 10.422 -3.242 -7.994 1.00 0.00 C ATOM 1597 CG TYR A 98 10.840 -3.897 -9.292 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.467 -3.357 -10.517 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.606 -5.056 -9.292 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.846 -3.953 -11.704 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.990 -5.658 -10.475 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.608 -5.102 -11.678 1.00 0.00 C ATOM 1603 OH TYR A 98 11.988 -5.699 -12.859 1.00 0.00 O ATOM 0 H TYR A 98 7.979 -1.743 -8.257 1.00 0.00 H new ATOM 0 HA TYR A 98 8.729 -4.546 -7.757 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.594 -2.168 -8.067 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.056 -3.613 -7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.871 -2.457 -10.541 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.906 -5.494 -8.352 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.547 -3.521 -12.648 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.586 -6.559 -10.458 1.00 0.00 H new ATOM 0 HH TYR A 98 12.521 -6.498 -12.665 1.00 0.00 H new ATOM 1613 N PHE A 99 8.519 -4.129 -5.331 1.00 0.00 N ATOM 1614 CA PHE A 99 8.278 -3.911 -3.910 1.00 0.00 C ATOM 1615 C PHE A 99 9.210 -4.772 -3.062 1.00 0.00 C ATOM 1616 O PHE A 99 9.419 -5.951 -3.352 1.00 0.00 O ATOM 1617 CB PHE A 99 6.821 -4.223 -3.564 1.00 0.00 C ATOM 1618 CG PHE A 99 5.832 -3.539 -4.464 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.420 -2.242 -4.204 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.314 -4.194 -5.570 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.510 -1.610 -5.031 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.404 -3.566 -6.400 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.001 -2.273 -6.130 1.00 0.00 C ATOM 0 H PHE A 99 8.521 -5.109 -5.613 1.00 0.00 H new ATOM 0 HA PHE A 99 8.480 -2.863 -3.690 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.666 -5.300 -3.619 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.629 -3.925 -2.533 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.814 -1.719 -3.345 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.624 -5.206 -5.786 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.198 -0.598 -4.818 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.008 -4.087 -7.260 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.289 -1.782 -6.777 1.00 0.00 H new ATOM 1633 N CYS A 100 9.766 -4.175 -2.014 1.00 0.00 N ATOM 1634 CA CYS A 100 10.677 -4.887 -1.123 1.00 0.00 C ATOM 1635 C CYS A 100 10.338 -4.606 0.337 1.00 0.00 C ATOM 1636 O CYS A 100 9.641 -3.641 0.651 1.00 0.00 O ATOM 1637 CB CYS A 100 12.123 -4.483 -1.411 1.00 0.00 C ATOM 1638 SG CYS A 100 12.527 -2.788 -0.928 1.00 0.00 S ATOM 0 H CYS A 100 9.603 -3.201 -1.760 1.00 0.00 H new ATOM 0 HA CYS A 100 10.563 -5.956 -1.304 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.791 -5.167 -0.888 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.316 -4.601 -2.477 1.00 0.00 H new ATOM 0 HG CYS A 100 12.706 -2.064 -1.993 1.00 0.00 H new ATOM 1644 N THR A 101 10.836 -5.458 1.229 1.00 0.00 N ATOM 1645 CA THR A 101 10.585 -5.304 2.656 1.00 0.00 C ATOM 1646 C THR A 101 11.856 -5.529 3.466 1.00 0.00 C ATOM 1647 O THR A 101 12.935 -5.721 2.905 1.00 0.00 O ATOM 1648 CB THR A 101 9.499 -6.281 3.144 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.620 -7.531 2.456 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.110 -5.704 2.918 1.00 0.00 C ATOM 0 H THR A 101 11.416 -6.262 0.987 1.00 0.00 H new ATOM 0 HA THR A 101 10.238 -4.282 2.807 1.00 0.00 H new ATOM 0 HB THR A 101 9.639 -6.440 4.213 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.875 -8.231 3.092 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.360 -6.412 3.271 1.00 0.00 H new ATOM 0 HG22 THR A 101 8.011 -4.768 3.467 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.962 -5.518 1.854 1.00 0.00 H new ATOM 1658 N ASP A 102 11.723 -5.504 4.787 1.00 0.00 N ATOM 1659 CA ASP A 102 12.862 -5.708 5.675 1.00 0.00 C ATOM 1660 C ASP A 102 13.352 -7.151 5.607 1.00 0.00 C ATOM 1661 O ASP A 102 14.556 -7.408 5.569 1.00 0.00 O ATOM 1662 CB ASP A 102 12.485 -5.351 7.114 1.00 0.00 C ATOM 1663 CG ASP A 102 12.716 -3.886 7.427 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.893 -3.479 7.527 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.721 -3.146 7.571 1.00 0.00 O ATOM 0 H ASP A 102 10.837 -5.344 5.267 1.00 0.00 H new ATOM 0 HA ASP A 102 13.669 -5.053 5.347 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.436 -5.594 7.283 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.069 -5.963 7.802 1.00 0.00 H new ATOM 1670 N THR A 103 12.412 -8.090 5.595 1.00 0.00 N ATOM 1671 CA THR A 103 12.748 -9.507 5.534 1.00 0.00 C ATOM 1672 C THR A 103 11.603 -10.319 4.938 1.00 0.00 C ATOM 1673 O THR A 103 10.525 -9.789 4.674 1.00 0.00 O ATOM 1674 CB THR A 103 13.084 -10.065 6.930 1.00 0.00 C ATOM 1675 OG1 THR A 103 13.074 -11.496 6.901 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.088 -9.566 7.966 1.00 0.00 C ATOM 0 H THR A 103 11.411 -7.895 5.627 1.00 0.00 H new ATOM 0 HA THR A 103 13.625 -9.596 4.893 1.00 0.00 H new ATOM 0 HB THR A 103 14.078 -9.715 7.207 1.00 0.00 H new ATOM 0 HG1 THR A 103 13.290 -11.843 7.792 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.345 -9.973 8.944 1.00 0.00 H new ATOM 0 HG22 THR A 103 12.120 -8.477 8.006 1.00 0.00 H new ATOM 0 HG23 THR A 103 11.084 -9.890 7.691 1.00 0.00 H new ATOM 1684 N GLY A 104 11.846 -11.609 4.727 1.00 0.00 N ATOM 1685 CA GLY A 104 10.825 -12.473 4.163 1.00 0.00 C ATOM 1686 C GLY A 104 9.464 -12.249 4.792 1.00 0.00 C ATOM 1687 O GLY A 104 8.462 -12.111 4.090 1.00 0.00 O ATOM 0 H GLY A 104 12.731 -12.071 4.936 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.759 -12.299 3.089 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.118 -13.514 4.300 1.00 0.00 H new ATOM 1691 N LYS A 105 9.426 -12.215 6.120 1.00 0.00 N ATOM 1692 CA LYS A 105 8.178 -12.007 6.845 1.00 0.00 C ATOM 1693 C LYS A 105 7.455 -10.763 6.338 1.00 0.00 C ATOM 1694 O LYS A 105 6.362 -10.854 5.780 1.00 0.00 O ATOM 1695 CB LYS A 105 8.451 -11.875 8.345 1.00 0.00 C ATOM 1696 CG LYS A 105 7.206 -11.597 9.168 1.00 0.00 C ATOM 1697 CD LYS A 105 6.806 -10.133 9.098 1.00 0.00 C ATOM 1698 CE LYS A 105 6.034 -9.706 10.337 1.00 0.00 C ATOM 1699 NZ LYS A 105 6.837 -9.881 11.579 1.00 0.00 N ATOM 0 H LYS A 105 10.246 -12.329 6.716 1.00 0.00 H new ATOM 0 HA LYS A 105 7.539 -12.873 6.673 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.915 -12.794 8.703 1.00 0.00 H new ATOM 0 HB3 LYS A 105 9.169 -11.071 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.385 -12.217 8.808 1.00 0.00 H new ATOM 0 HG3 LYS A 105 7.385 -11.877 10.206 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.698 -9.516 8.993 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.195 -9.964 8.211 1.00 0.00 H new ATOM 0 HE2 LYS A 105 5.740 -8.661 10.239 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.117 -10.290 10.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 6.493 -9.226 12.310 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.742 -10.859 11.919 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 7.837 -9.680 11.377 1.00 0.00 H new ATOM 1713 N GLU A 106 8.074 -9.603 6.534 1.00 0.00 N ATOM 1714 CA GLU A 106 7.488 -8.342 6.096 1.00 0.00 C ATOM 1715 C GLU A 106 7.036 -8.428 4.641 1.00 0.00 C ATOM 1716 O GLU A 106 6.233 -7.618 4.180 1.00 0.00 O ATOM 1717 CB GLU A 106 8.494 -7.201 6.261 1.00 0.00 C ATOM 1718 CG GLU A 106 8.679 -6.756 7.702 1.00 0.00 C ATOM 1719 CD GLU A 106 7.647 -5.731 8.133 1.00 0.00 C ATOM 1720 OE1 GLU A 106 6.443 -5.972 7.908 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.044 -4.689 8.694 1.00 0.00 O ATOM 0 H GLU A 106 8.980 -9.511 6.993 1.00 0.00 H new ATOM 0 HA GLU A 106 6.616 -8.141 6.719 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.457 -7.517 5.861 1.00 0.00 H new ATOM 0 HB3 GLU A 106 8.165 -6.349 5.666 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.618 -7.625 8.357 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.677 -6.334 7.823 1.00 0.00 H new ATOM 1728 N MET A 107 7.558 -9.418 3.923 1.00 0.00 N ATOM 1729 CA MET A 107 7.208 -9.611 2.521 1.00 0.00 C ATOM 1730 C MET A 107 5.998 -10.530 2.384 1.00 0.00 C ATOM 1731 O MET A 107 5.100 -10.273 1.583 1.00 0.00 O ATOM 1732 CB MET A 107 8.395 -10.194 1.752 1.00 0.00 C ATOM 1733 CG MET A 107 7.988 -11.098 0.600 1.00 0.00 C ATOM 1734 SD MET A 107 7.843 -12.827 1.092 1.00 0.00 S ATOM 1735 CE MET A 107 8.270 -13.652 -0.440 1.00 0.00 C ATOM 0 H MET A 107 8.224 -10.098 4.289 1.00 0.00 H new ATOM 0 HA MET A 107 6.953 -8.639 2.099 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.003 -9.377 1.364 1.00 0.00 H new ATOM 0 HB3 MET A 107 9.022 -10.758 2.442 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.034 -10.758 0.196 1.00 0.00 H new ATOM 0 HG3 MET A 107 8.722 -11.012 -0.201 1.00 0.00 H new ATOM 0 HE1 MET A 107 7.456 -14.313 -0.737 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.436 -12.909 -1.220 1.00 0.00 H new ATOM 0 HE3 MET A 107 9.178 -14.237 -0.297 1.00 0.00 H new ATOM 1745 N GLU A 108 5.982 -11.601 3.171 1.00 0.00 N ATOM 1746 CA GLU A 108 4.882 -12.558 3.136 1.00 0.00 C ATOM 1747 C GLU A 108 3.558 -11.877 3.469 1.00 0.00 C ATOM 1748 O GLU A 108 2.548 -12.098 2.800 1.00 0.00 O ATOM 1749 CB GLU A 108 5.141 -13.702 4.119 1.00 0.00 C ATOM 1750 CG GLU A 108 4.561 -13.460 5.502 1.00 0.00 C ATOM 1751 CD GLU A 108 4.763 -14.639 6.434 1.00 0.00 C ATOM 1752 OE1 GLU A 108 4.293 -15.747 6.101 1.00 0.00 O ATOM 1753 OE2 GLU A 108 5.391 -14.453 7.498 1.00 0.00 O ATOM 0 H GLU A 108 6.718 -11.828 3.840 1.00 0.00 H new ATOM 0 HA GLU A 108 4.818 -12.963 2.126 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.719 -14.621 3.713 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.216 -13.857 4.207 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.025 -12.575 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.495 -13.250 5.413 1.00 0.00 H new ATOM 1760 N LEU A 109 3.570 -11.049 4.507 1.00 0.00 N ATOM 1761 CA LEU A 109 2.370 -10.335 4.930 1.00 0.00 C ATOM 1762 C LEU A 109 1.776 -9.536 3.775 1.00 0.00 C ATOM 1763 O LEU A 109 0.557 -9.436 3.639 1.00 0.00 O ATOM 1764 CB LEU A 109 2.694 -9.401 6.098 1.00 0.00 C ATOM 1765 CG LEU A 109 3.403 -10.041 7.292 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.554 -9.036 8.424 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.645 -11.272 7.766 1.00 0.00 C ATOM 0 H LEU A 109 4.397 -10.855 5.072 1.00 0.00 H new ATOM 0 HA LEU A 109 1.634 -11.071 5.254 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.316 -8.587 5.725 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.764 -8.955 6.450 1.00 0.00 H new ATOM 0 HG LEU A 109 4.398 -10.353 6.975 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.061 -9.509 9.265 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.141 -8.185 8.079 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.569 -8.693 8.740 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.164 -11.714 8.616 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.637 -10.986 8.066 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.590 -12.000 6.956 1.00 0.00 H new ATOM 1779 N TRP A 110 2.645 -8.971 2.945 1.00 0.00 N ATOM 1780 CA TRP A 110 2.206 -8.182 1.799 1.00 0.00 C ATOM 1781 C TRP A 110 1.787 -9.086 0.645 1.00 0.00 C ATOM 1782 O TRP A 110 0.696 -8.939 0.095 1.00 0.00 O ATOM 1783 CB TRP A 110 3.322 -7.239 1.346 1.00 0.00 C ATOM 1784 CG TRP A 110 3.279 -5.901 2.020 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.211 -5.383 2.873 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.250 -4.912 1.897 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.823 -4.132 3.289 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.625 -3.820 2.704 1.00 0.00 C ATOM 1789 CE3 TRP A 110 1.051 -4.843 1.184 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.841 -2.674 2.816 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.274 -3.705 1.296 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.672 -2.633 2.106 1.00 0.00 C ATOM 0 H TRP A 110 3.658 -9.044 3.044 1.00 0.00 H new ATOM 0 HA TRP A 110 1.343 -7.591 2.105 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.286 -7.707 1.544 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.253 -7.097 0.268 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.119 -5.883 3.176 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.343 -3.533 3.930 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.737 -5.664 0.557 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.145 -1.847 3.441 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.656 -3.641 0.750 1.00 0.00 H new ATOM 0 HH2 TRP A 110 0.044 -1.757 2.171 1.00 0.00 H new ATOM 1803 N MET A 111 2.661 -10.019 0.283 1.00 0.00 N ATOM 1804 CA MET A 111 2.379 -10.948 -0.806 1.00 0.00 C ATOM 1805 C MET A 111 1.052 -11.665 -0.579 1.00 0.00 C ATOM 1806 O MET A 111 0.100 -11.488 -1.340 1.00 0.00 O ATOM 1807 CB MET A 111 3.509 -11.970 -0.939 1.00 0.00 C ATOM 1808 CG MET A 111 4.746 -11.422 -1.631 1.00 0.00 C ATOM 1809 SD MET A 111 5.848 -12.723 -2.218 1.00 0.00 S ATOM 1810 CE MET A 111 5.822 -12.417 -3.983 1.00 0.00 C ATOM 0 H MET A 111 3.570 -10.152 0.727 1.00 0.00 H new ATOM 0 HA MET A 111 2.308 -10.375 -1.730 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.785 -12.325 0.054 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.144 -12.833 -1.496 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.441 -10.802 -2.474 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.288 -10.777 -0.940 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.817 -12.585 -4.396 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.112 -13.093 -4.459 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.522 -11.386 -4.169 1.00 0.00 H new ATOM 1820 N LYS A 112 0.995 -12.476 0.472 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.215 -13.220 0.800 1.00 0.00 C ATOM 1822 C LYS A 112 -1.461 -12.415 0.449 1.00 0.00 C ATOM 1823 O LYS A 112 -2.446 -12.962 -0.047 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.229 -13.579 2.288 1.00 0.00 C ATOM 1825 CG LYS A 112 0.794 -14.635 2.669 1.00 0.00 C ATOM 1826 CD LYS A 112 0.299 -16.034 2.342 1.00 0.00 C ATOM 1827 CE LYS A 112 1.022 -17.088 3.167 1.00 0.00 C ATOM 1828 NZ LYS A 112 1.067 -18.403 2.471 1.00 0.00 N ATOM 0 H LYS A 112 1.774 -12.635 1.112 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.219 -14.137 0.211 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.043 -12.678 2.872 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.223 -13.934 2.558 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.728 -14.446 2.140 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.011 -14.565 3.735 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.773 -16.095 2.530 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.448 -16.235 1.281 1.00 0.00 H new ATOM 0 HE2 LYS A 112 2.038 -16.752 3.375 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.521 -17.203 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 1.568 -19.094 3.066 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.098 -18.736 2.295 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 1.567 -18.299 1.565 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.411 -11.112 0.707 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.535 -10.231 0.414 1.00 0.00 C ATOM 1844 C ALA A 113 -2.575 -9.867 -1.066 1.00 0.00 C ATOM 1845 O ALA A 113 -3.547 -10.162 -1.761 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.456 -8.974 1.267 1.00 0.00 C ATOM 0 H ALA A 113 -0.604 -10.643 1.118 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.455 -10.763 0.655 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.301 -8.325 1.038 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.484 -9.248 2.322 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.526 -8.447 1.053 1.00 0.00 H new ATOM 1852 N MET A 114 -1.515 -9.222 -1.541 1.00 0.00 N ATOM 1853 CA MET A 114 -1.430 -8.818 -2.940 1.00 0.00 C ATOM 1854 C MET A 114 -1.901 -9.941 -3.860 1.00 0.00 C ATOM 1855 O MET A 114 -2.754 -9.733 -4.723 1.00 0.00 O ATOM 1856 CB MET A 114 0.005 -8.422 -3.293 1.00 0.00 C ATOM 1857 CG MET A 114 0.489 -7.180 -2.562 1.00 0.00 C ATOM 1858 SD MET A 114 1.942 -6.443 -3.334 1.00 0.00 S ATOM 1859 CE MET A 114 2.533 -5.392 -2.009 1.00 0.00 C ATOM 0 H MET A 114 -0.703 -8.968 -0.978 1.00 0.00 H new ATOM 0 HA MET A 114 -2.082 -7.957 -3.083 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.671 -9.253 -3.060 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.072 -8.251 -4.367 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.315 -6.444 -2.532 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.723 -7.439 -1.529 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.623 -5.366 -2.024 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.144 -4.383 -2.144 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.193 -5.787 -1.052 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.339 -11.129 -3.670 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.701 -12.285 -4.483 1.00 0.00 C ATOM 1871 C LEU A 115 -3.205 -12.537 -4.433 1.00 0.00 C ATOM 1872 O LEU A 115 -3.815 -12.914 -5.434 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.949 -13.528 -4.002 1.00 0.00 C ATOM 1874 CG LEU A 115 0.407 -13.787 -4.659 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.279 -13.764 -6.174 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.430 -12.762 -4.193 1.00 0.00 C ATOM 0 H LEU A 115 -0.631 -11.318 -2.960 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.420 -12.074 -5.515 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.799 -13.444 -2.926 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.583 -14.399 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 115 0.751 -14.777 -4.359 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.254 -13.950 -6.624 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.421 -14.537 -6.492 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.088 -12.789 -6.493 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.389 -12.962 -4.671 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.092 -11.762 -4.463 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.543 -12.827 -3.111 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.797 -12.323 -3.263 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.230 -12.522 -3.083 1.00 0.00 C ATOM 1890 C ASP A 116 -6.026 -11.497 -3.884 1.00 0.00 C ATOM 1891 O ASP A 116 -7.179 -11.735 -4.244 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.598 -12.428 -1.602 1.00 0.00 C ATOM 1893 CG ASP A 116 -5.543 -13.773 -0.905 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -4.473 -14.417 -0.942 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.569 -14.183 -0.322 1.00 0.00 O ATOM 0 H ASP A 116 -3.306 -12.012 -2.425 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.482 -13.517 -3.449 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.918 -11.736 -1.105 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.601 -12.013 -1.506 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.404 -10.355 -4.159 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.054 -9.294 -4.918 1.00 0.00 C ATOM 1902 C ALA A 117 -5.596 -9.299 -6.372 1.00 0.00 C ATOM 1903 O ALA A 117 -6.254 -8.730 -7.242 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.775 -7.942 -4.279 1.00 0.00 C ATOM 0 H ALA A 117 -4.450 -10.141 -3.867 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.129 -9.476 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.266 -7.159 -4.856 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.158 -7.936 -3.259 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.700 -7.762 -4.264 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.462 -9.944 -6.628 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.917 -10.024 -7.978 1.00 0.00 C ATOM 1912 C ALA A 118 -4.453 -11.247 -8.715 1.00 0.00 C ATOM 1913 O ALA A 118 -4.911 -11.146 -9.853 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.396 -10.058 -7.931 1.00 0.00 C ATOM 0 H ALA A 118 -3.903 -10.418 -5.919 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.233 -9.136 -8.525 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.002 -10.118 -8.945 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.026 -9.152 -7.451 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.069 -10.929 -7.363 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.391 -12.401 -8.059 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.870 -13.644 -8.653 1.00 0.00 C ATOM 1922 C LEU A 119 -6.278 -13.473 -9.213 1.00 0.00 C ATOM 1923 O LEU A 119 -6.735 -14.274 -10.029 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.854 -14.767 -7.615 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.132 -14.940 -6.794 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.582 -13.605 -6.220 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.234 -15.555 -7.644 1.00 0.00 C ATOM 0 H LEU A 119 -4.014 -12.501 -7.117 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.203 -13.907 -9.474 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.646 -15.706 -8.128 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.026 -14.588 -6.929 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.920 -15.616 -5.966 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.493 -13.747 -5.639 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.800 -13.204 -5.576 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.776 -12.906 -7.034 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.136 -15.671 -7.043 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.445 -14.904 -8.493 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.912 -16.531 -8.006 1.00 0.00 H new