USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 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 91 HIS : no HD1:sc= -9.15! C(o=-9.8!,f=-19!) USER MOD Set 1.2: A 94 MET CE :methyl -176:sc= -0.668 (180deg=-0.53) 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+ -127:sc= -0.763 (180deg=-2.14!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot -55:sc= 0.0468 USER MOD Single : A 49 CYS SG : rot -127:sc= 0.352 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.823 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0.00191 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0661 X(o=-0.066,f=0) 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 93 ASN : amide:sc= -0.121 K(o=-0.12,f=-2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -99:sc= 0.252 USER MOD Single : A 101 THR OG1 : rot 117:sc= -0.482 USER MOD Single : A 103 THR OG1 : rot 180:sc= -0.42! USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -156:sc= -0.166 (180deg=-0.669) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 136:sc= -1.25 (180deg=-2.85!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.473 -3.859 4.327 1.00 0.00 N ATOM 266 CA PRO A 20 -12.539 -4.269 5.380 1.00 0.00 C ATOM 267 C PRO A 20 -11.087 -4.230 4.915 1.00 0.00 C ATOM 268 O PRO A 20 -10.692 -4.976 4.019 1.00 0.00 O ATOM 269 CB PRO A 20 -12.963 -5.707 5.691 1.00 0.00 C ATOM 270 CG PRO A 20 -13.561 -6.207 4.421 1.00 0.00 C ATOM 271 CD PRO A 20 -14.106 -5.012 3.666 1.00 0.00 C ATOM 0 HA PRO A 20 -12.579 -3.603 6.242 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.110 -6.315 5.994 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.684 -5.740 6.508 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.812 -6.727 3.824 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.356 -6.923 4.629 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.849 -5.057 2.608 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.193 -4.961 3.728 1.00 0.00 H new ATOM 279 N VAL A 21 -10.297 -3.356 5.530 1.00 0.00 N ATOM 280 CA VAL A 21 -8.888 -3.221 5.180 1.00 0.00 C ATOM 281 C VAL A 21 -8.105 -4.473 5.559 1.00 0.00 C ATOM 282 O VAL A 21 -8.100 -4.888 6.719 1.00 0.00 O ATOM 283 CB VAL A 21 -8.252 -2.002 5.873 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.792 -1.859 5.469 1.00 0.00 C ATOM 285 CG2 VAL A 21 -9.030 -0.737 5.544 1.00 0.00 C ATOM 0 H VAL A 21 -10.609 -2.731 6.273 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.842 -3.081 4.100 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.292 -2.157 6.951 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.359 -0.992 5.969 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.245 -2.756 5.759 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.725 -1.726 4.389 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.567 0.115 6.042 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.023 -0.575 4.466 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.059 -0.843 5.888 1.00 0.00 H new ATOM 295 N VAL A 22 -7.444 -5.072 4.574 1.00 0.00 N ATOM 296 CA VAL A 22 -6.655 -6.277 4.804 1.00 0.00 C ATOM 297 C VAL A 22 -5.429 -5.976 5.658 1.00 0.00 C ATOM 298 O VAL A 22 -5.231 -6.580 6.713 1.00 0.00 O ATOM 299 CB VAL A 22 -6.200 -6.912 3.477 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.378 -8.164 3.738 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.400 -7.226 2.597 1.00 0.00 C ATOM 0 H VAL A 22 -7.439 -4.743 3.609 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.298 -6.981 5.332 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.570 -6.196 2.950 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.066 -8.599 2.788 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.497 -7.905 4.326 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.981 -8.887 4.287 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.059 -7.674 1.664 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.059 -7.923 3.115 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.943 -6.306 2.381 1.00 0.00 H new ATOM 311 N ARG A 23 -4.608 -5.038 5.196 1.00 0.00 N ATOM 312 CA ARG A 23 -3.400 -4.657 5.917 1.00 0.00 C ATOM 313 C ARG A 23 -2.809 -3.371 5.348 1.00 0.00 C ATOM 314 O ARG A 23 -2.829 -3.150 4.137 1.00 0.00 O ATOM 315 CB ARG A 23 -2.364 -5.781 5.849 1.00 0.00 C ATOM 316 CG ARG A 23 -1.186 -5.582 6.789 1.00 0.00 C ATOM 317 CD ARG A 23 -1.482 -6.131 8.176 1.00 0.00 C ATOM 318 NE ARG A 23 -0.274 -6.243 8.990 1.00 0.00 N ATOM 319 CZ ARG A 23 0.325 -5.206 9.563 1.00 0.00 C ATOM 320 NH1 ARG A 23 -0.169 -3.984 9.413 1.00 0.00 N ATOM 321 NH2 ARG A 23 1.421 -5.388 10.288 1.00 0.00 N ATOM 0 H ARG A 23 -4.758 -4.528 4.325 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.669 -4.482 6.959 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.851 -6.727 6.086 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.993 -5.860 4.827 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.305 -6.078 6.381 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.950 -4.520 6.859 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -2.198 -5.481 8.678 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.950 -7.111 8.086 1.00 0.00 H new ATOM 0 HE ARG A 23 0.132 -7.169 9.126 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.011 -3.839 8.856 1.00 0.00 H new ATOM 0 HH12 ARG A 23 0.293 -3.189 9.854 1.00 0.00 H new ATOM 0 HH21 ARG A 23 1.805 -6.326 10.406 1.00 0.00 H new ATOM 0 HH22 ARG A 23 1.880 -4.590 10.728 1.00 0.00 H new ATOM 335 N ARG A 24 -2.285 -2.525 6.229 1.00 0.00 N ATOM 336 CA ARG A 24 -1.691 -1.260 5.814 1.00 0.00 C ATOM 337 C ARG A 24 -0.338 -1.049 6.487 1.00 0.00 C ATOM 338 O ARG A 24 -0.219 -1.143 7.708 1.00 0.00 O ATOM 339 CB ARG A 24 -2.627 -0.098 6.150 1.00 0.00 C ATOM 340 CG ARG A 24 -3.053 -0.062 7.608 1.00 0.00 C ATOM 341 CD ARG A 24 -3.843 1.198 7.927 1.00 0.00 C ATOM 342 NE ARG A 24 -3.722 1.580 9.331 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.133 2.748 9.813 1.00 0.00 C ATOM 344 NH1 ARG A 24 -4.689 3.642 9.008 1.00 0.00 N ATOM 345 NH2 ARG A 24 -3.988 3.022 11.103 1.00 0.00 N ATOM 0 H ARG A 24 -2.260 -2.693 7.235 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.540 -1.295 4.735 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.131 0.840 5.902 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.515 -0.165 5.522 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.659 -0.939 7.833 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.171 -0.112 8.247 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.491 2.015 7.298 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.894 1.038 7.684 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.299 0.914 9.977 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -4.802 3.434 8.016 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -5.004 4.538 9.381 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.561 2.336 11.725 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.304 3.919 11.473 1.00 0.00 H new ATOM 359 N GLY A 25 0.680 -0.762 5.681 1.00 0.00 N ATOM 360 CA GLY A 25 2.011 -0.543 6.216 1.00 0.00 C ATOM 361 C GLY A 25 2.893 0.250 5.271 1.00 0.00 C ATOM 362 O GLY A 25 2.640 0.294 4.067 1.00 0.00 O ATOM 0 H GLY A 25 0.606 -0.677 4.667 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.935 -0.015 7.166 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.479 -1.505 6.423 1.00 0.00 H new ATOM 366 N TRP A 26 3.927 0.878 5.817 1.00 0.00 N ATOM 367 CA TRP A 26 4.848 1.675 5.014 1.00 0.00 C ATOM 368 C TRP A 26 5.701 0.783 4.118 1.00 0.00 C ATOM 369 O TRP A 26 6.786 0.351 4.509 1.00 0.00 O ATOM 370 CB TRP A 26 5.747 2.519 5.919 1.00 0.00 C ATOM 371 CG TRP A 26 5.053 3.715 6.497 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.397 3.783 7.693 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.945 5.013 5.903 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.887 5.045 7.878 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.211 5.819 6.795 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.399 5.574 4.706 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.920 7.154 6.525 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.109 6.898 4.439 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.377 7.677 5.345 1.00 0.00 C ATOM 0 H TRP A 26 4.149 0.851 6.812 1.00 0.00 H new ATOM 0 HA TRP A 26 4.258 2.337 4.380 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.119 1.896 6.732 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.615 2.852 5.349 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.294 2.965 8.391 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.354 5.355 8.690 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.966 4.983 4.002 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.354 7.755 7.221 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.453 7.341 3.516 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.169 8.710 5.108 1.00 0.00 H new ATOM 390 N LEU A 27 5.204 0.511 2.917 1.00 0.00 N ATOM 391 CA LEU A 27 5.922 -0.330 1.965 1.00 0.00 C ATOM 392 C LEU A 27 6.867 0.504 1.106 1.00 0.00 C ATOM 393 O LEU A 27 6.680 1.711 0.952 1.00 0.00 O ATOM 394 CB LEU A 27 4.933 -1.082 1.072 1.00 0.00 C ATOM 395 CG LEU A 27 5.547 -2.024 0.036 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.245 -3.189 0.720 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.479 -2.529 -0.924 1.00 0.00 C ATOM 0 H LEU A 27 4.307 0.860 2.579 1.00 0.00 H new ATOM 0 HA LEU A 27 6.514 -1.051 2.529 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.266 -1.661 1.710 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.318 -0.350 0.549 1.00 0.00 H new ATOM 0 HG LEU A 27 6.290 -1.469 -0.537 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.676 -3.848 -0.034 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.037 -2.810 1.366 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.523 -3.745 1.319 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.934 -3.198 -1.655 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.713 -3.068 -0.366 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.024 -1.683 -1.440 1.00 0.00 H new ATOM 409 N TYR A 28 7.880 -0.148 0.547 1.00 0.00 N ATOM 410 CA TYR A 28 8.855 0.533 -0.297 1.00 0.00 C ATOM 411 C TYR A 28 8.565 0.284 -1.774 1.00 0.00 C ATOM 412 O TYR A 28 8.306 -0.847 -2.187 1.00 0.00 O ATOM 413 CB TYR A 28 10.271 0.064 0.043 1.00 0.00 C ATOM 414 CG TYR A 28 10.599 0.148 1.516 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.894 1.367 2.115 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.613 -0.992 2.310 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.195 1.447 3.460 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.912 -0.921 3.657 1.00 0.00 C ATOM 419 CZ TYR A 28 11.203 0.301 4.227 1.00 0.00 C ATOM 420 OH TYR A 28 11.501 0.377 5.569 1.00 0.00 O ATOM 0 H TYR A 28 8.048 -1.147 0.663 1.00 0.00 H new ATOM 0 HA TYR A 28 8.779 1.603 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.393 -0.967 -0.290 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.988 0.666 -0.515 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.888 2.267 1.518 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.386 -1.950 1.867 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.423 2.402 3.909 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.918 -1.817 4.260 1.00 0.00 H new ATOM 0 HH TYR A 28 11.462 -0.519 5.964 1.00 0.00 H new ATOM 430 N LYS A 29 8.611 1.349 -2.567 1.00 0.00 N ATOM 431 CA LYS A 29 8.356 1.249 -3.999 1.00 0.00 C ATOM 432 C LYS A 29 9.478 1.904 -4.798 1.00 0.00 C ATOM 433 O LYS A 29 10.139 2.824 -4.318 1.00 0.00 O ATOM 434 CB LYS A 29 7.018 1.906 -4.347 1.00 0.00 C ATOM 435 CG LYS A 29 6.773 2.032 -5.840 1.00 0.00 C ATOM 436 CD LYS A 29 5.293 2.181 -6.151 1.00 0.00 C ATOM 437 CE LYS A 29 4.871 3.642 -6.170 1.00 0.00 C ATOM 438 NZ LYS A 29 4.823 4.223 -4.799 1.00 0.00 N ATOM 0 H LYS A 29 8.823 2.292 -2.242 1.00 0.00 H new ATOM 0 HA LYS A 29 8.314 0.192 -4.262 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.211 1.324 -3.903 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.982 2.898 -3.896 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.316 2.894 -6.227 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.166 1.152 -6.350 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.076 1.726 -7.117 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.708 1.642 -5.406 1.00 0.00 H new ATOM 0 HE2 LYS A 29 5.568 4.214 -6.783 1.00 0.00 H new ATOM 0 HE3 LYS A 29 3.890 3.731 -6.637 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.893 4.661 -4.640 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.976 3.471 -4.098 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.566 4.944 -4.701 1.00 0.00 H new ATOM 571 N TRP A 38 14.826 2.935 -3.931 1.00 0.00 N ATOM 572 CA TRP A 38 13.590 2.606 -3.231 1.00 0.00 C ATOM 573 C TRP A 38 13.130 3.771 -2.361 1.00 0.00 C ATOM 574 O TRP A 38 13.911 4.329 -1.590 1.00 0.00 O ATOM 575 CB TRP A 38 13.784 1.357 -2.370 1.00 0.00 C ATOM 576 CG TRP A 38 14.333 0.189 -3.134 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.650 -0.094 -3.363 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.581 -0.850 -3.769 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.760 -1.247 -4.103 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.506 -1.730 -4.364 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.216 -1.123 -3.892 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.107 -2.861 -5.071 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.822 -2.246 -4.594 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.765 -3.105 -5.176 1.00 0.00 C ATOM 0 HA TRP A 38 12.821 2.408 -3.978 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.458 1.593 -1.547 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.828 1.076 -1.929 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.482 0.500 -3.014 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.635 -1.674 -4.408 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.482 -0.468 -3.446 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.832 -3.523 -5.521 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.770 -2.466 -4.696 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.426 -3.976 -5.717 1.00 0.00 H new ATOM 595 N LYS A 39 11.858 4.133 -2.489 1.00 0.00 N ATOM 596 CA LYS A 39 11.293 5.231 -1.714 1.00 0.00 C ATOM 597 C LYS A 39 10.226 4.723 -0.749 1.00 0.00 C ATOM 598 O LYS A 39 9.565 3.718 -1.011 1.00 0.00 O ATOM 599 CB LYS A 39 10.692 6.285 -2.646 1.00 0.00 C ATOM 600 CG LYS A 39 11.726 7.018 -3.483 1.00 0.00 C ATOM 601 CD LYS A 39 12.521 8.006 -2.647 1.00 0.00 C ATOM 602 CE LYS A 39 13.801 8.430 -3.351 1.00 0.00 C ATOM 603 NZ LYS A 39 13.589 9.626 -4.214 1.00 0.00 N ATOM 0 H LYS A 39 11.198 3.681 -3.123 1.00 0.00 H new ATOM 0 HA LYS A 39 12.097 5.684 -1.134 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.974 5.804 -3.310 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.138 7.011 -2.051 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.404 6.297 -3.938 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.229 7.546 -4.297 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.910 8.885 -2.441 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.766 7.556 -1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.568 8.649 -2.609 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.172 7.605 -3.959 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 14.484 9.884 -4.676 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.875 9.409 -4.939 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 13.259 10.421 -3.630 1.00 0.00 H new ATOM 617 N LYS A 40 10.063 5.424 0.368 1.00 0.00 N ATOM 618 CA LYS A 40 9.074 5.047 1.371 1.00 0.00 C ATOM 619 C LYS A 40 7.756 5.778 1.138 1.00 0.00 C ATOM 620 O LYS A 40 7.742 6.966 0.818 1.00 0.00 O ATOM 621 CB LYS A 40 9.599 5.356 2.775 1.00 0.00 C ATOM 622 CG LYS A 40 8.988 4.484 3.858 1.00 0.00 C ATOM 623 CD LYS A 40 9.721 4.640 5.180 1.00 0.00 C ATOM 624 CE LYS A 40 9.130 3.741 6.255 1.00 0.00 C ATOM 625 NZ LYS A 40 10.153 3.321 7.252 1.00 0.00 N ATOM 0 H LYS A 40 10.604 6.257 0.602 1.00 0.00 H new ATOM 0 HA LYS A 40 8.895 3.975 1.283 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.681 5.229 2.785 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.399 6.402 3.007 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.939 4.748 3.990 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.018 3.440 3.546 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.775 4.400 5.043 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.670 5.679 5.505 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.322 4.266 6.764 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.693 2.858 5.789 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.710 2.710 7.967 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.912 2.797 6.771 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.552 4.162 7.715 1.00 0.00 H new ATOM 639 N ARG A 41 6.650 5.059 1.301 1.00 0.00 N ATOM 640 CA ARG A 41 5.326 5.640 1.109 1.00 0.00 C ATOM 641 C ARG A 41 4.263 4.822 1.836 1.00 0.00 C ATOM 642 O ARG A 41 4.422 3.619 2.038 1.00 0.00 O ATOM 643 CB ARG A 41 4.993 5.720 -0.382 1.00 0.00 C ATOM 644 CG ARG A 41 3.828 6.644 -0.697 1.00 0.00 C ATOM 645 CD ARG A 41 4.295 8.074 -0.915 1.00 0.00 C ATOM 646 NE ARG A 41 5.264 8.174 -2.003 1.00 0.00 N ATOM 647 CZ ARG A 41 4.926 8.205 -3.287 1.00 0.00 C ATOM 648 NH1 ARG A 41 3.650 8.144 -3.642 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.866 8.297 -4.220 1.00 0.00 N ATOM 0 H ARG A 41 6.644 4.074 1.565 1.00 0.00 H new ATOM 0 HA ARG A 41 5.334 6.647 1.527 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.874 6.062 -0.925 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.762 4.720 -0.748 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.311 6.289 -1.589 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.108 6.616 0.121 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.435 8.706 -1.136 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.742 8.453 0.004 1.00 0.00 H new ATOM 0 HE ARG A 41 6.254 8.223 -1.764 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.925 8.073 -2.928 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.394 8.168 -4.629 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.849 8.344 -3.951 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.605 8.321 -5.206 1.00 0.00 H new ATOM 663 N TRP A 42 3.179 5.484 2.226 1.00 0.00 N ATOM 664 CA TRP A 42 2.090 4.819 2.931 1.00 0.00 C ATOM 665 C TRP A 42 1.212 4.035 1.961 1.00 0.00 C ATOM 666 O TRP A 42 0.675 4.594 1.005 1.00 0.00 O ATOM 667 CB TRP A 42 1.245 5.843 3.690 1.00 0.00 C ATOM 668 CG TRP A 42 0.288 5.221 4.661 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.055 5.451 4.750 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.602 4.269 5.683 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.595 4.699 5.765 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.599 3.964 6.352 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.781 3.642 6.096 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.653 3.062 7.412 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.726 2.747 7.147 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.517 2.463 7.795 1.00 0.00 C ATOM 0 H TRP A 42 3.031 6.480 2.066 1.00 0.00 H new ATOM 0 HA TRP A 42 2.526 4.119 3.644 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.907 6.522 4.228 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.685 6.444 2.973 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.611 6.125 4.116 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.578 4.689 6.037 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.718 3.853 5.602 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.584 2.843 7.914 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.631 2.258 7.475 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.508 1.758 8.613 1.00 0.00 H new ATOM 687 N PHE A 43 1.070 2.738 2.214 1.00 0.00 N ATOM 688 CA PHE A 43 0.257 1.878 1.362 1.00 0.00 C ATOM 689 C PHE A 43 -0.890 1.256 2.153 1.00 0.00 C ATOM 690 O PHE A 43 -0.900 1.290 3.384 1.00 0.00 O ATOM 691 CB PHE A 43 1.120 0.777 0.741 1.00 0.00 C ATOM 692 CG PHE A 43 1.867 1.220 -0.484 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.255 1.205 -1.727 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.180 1.652 -0.393 1.00 0.00 C ATOM 695 CE1 PHE A 43 1.941 1.611 -2.857 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.870 2.060 -1.518 1.00 0.00 C ATOM 697 CZ PHE A 43 3.250 2.040 -2.752 1.00 0.00 C ATOM 0 H PHE A 43 1.507 2.260 3.002 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.165 2.492 0.566 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.835 0.424 1.485 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.484 -0.070 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.231 0.873 -1.814 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.670 1.670 0.569 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.454 1.593 -3.821 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.893 2.394 -1.433 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.787 2.359 -3.633 1.00 0.00 H new ATOM 707 N VAL A 44 -1.856 0.689 1.437 1.00 0.00 N ATOM 708 CA VAL A 44 -3.007 0.058 2.071 1.00 0.00 C ATOM 709 C VAL A 44 -3.636 -0.985 1.154 1.00 0.00 C ATOM 710 O VAL A 44 -3.876 -0.727 -0.026 1.00 0.00 O ATOM 711 CB VAL A 44 -4.076 1.099 2.455 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.334 0.410 2.963 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.529 2.063 3.497 1.00 0.00 C ATOM 0 H VAL A 44 -1.864 0.654 0.418 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.643 -0.430 2.975 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.338 1.671 1.565 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.078 1.161 3.229 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.735 -0.237 2.183 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.092 -0.188 3.841 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.297 2.792 3.757 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.238 1.508 4.389 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.659 2.581 3.093 1.00 0.00 H new ATOM 723 N LEU A 45 -3.902 -2.165 1.705 1.00 0.00 N ATOM 724 CA LEU A 45 -4.504 -3.249 0.937 1.00 0.00 C ATOM 725 C LEU A 45 -5.978 -3.415 1.293 1.00 0.00 C ATOM 726 O LEU A 45 -6.318 -4.053 2.289 1.00 0.00 O ATOM 727 CB LEU A 45 -3.756 -4.558 1.192 1.00 0.00 C ATOM 728 CG LEU A 45 -3.731 -5.555 0.032 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.050 -6.307 -0.053 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.437 -4.840 -1.279 1.00 0.00 C ATOM 0 H LEU A 45 -3.710 -2.395 2.680 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.431 -2.996 -0.121 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.727 -4.319 1.461 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.206 -5.048 2.056 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.935 -6.277 0.215 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.014 -7.012 -0.884 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.220 -6.850 0.877 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.863 -5.599 -0.213 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.423 -5.564 -2.093 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.210 -4.096 -1.469 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.467 -4.347 -1.215 1.00 0.00 H new ATOM 742 N SER A 46 -6.849 -2.838 0.471 1.00 0.00 N ATOM 743 CA SER A 46 -8.287 -2.921 0.700 1.00 0.00 C ATOM 744 C SER A 46 -9.025 -3.246 -0.595 1.00 0.00 C ATOM 745 O SER A 46 -8.583 -2.877 -1.684 1.00 0.00 O ATOM 746 CB SER A 46 -8.808 -1.605 1.281 1.00 0.00 C ATOM 747 OG SER A 46 -9.191 -0.709 0.252 1.00 0.00 O ATOM 0 H SER A 46 -6.584 -2.308 -0.359 1.00 0.00 H new ATOM 0 HA SER A 46 -8.471 -3.724 1.414 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.660 -1.803 1.931 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.036 -1.146 1.899 1.00 0.00 H new ATOM 0 HG SER A 46 -8.440 -0.579 -0.364 1.00 0.00 H new ATOM 753 N ASP A 47 -10.152 -3.938 -0.468 1.00 0.00 N ATOM 754 CA ASP A 47 -10.953 -4.313 -1.627 1.00 0.00 C ATOM 755 C ASP A 47 -10.070 -4.859 -2.745 1.00 0.00 C ATOM 756 O ASP A 47 -10.231 -4.496 -3.911 1.00 0.00 O ATOM 757 CB ASP A 47 -11.752 -3.110 -2.133 1.00 0.00 C ATOM 758 CG ASP A 47 -12.967 -3.520 -2.941 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.539 -4.591 -2.649 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.345 -2.771 -3.866 1.00 0.00 O ATOM 0 H ASP A 47 -10.531 -4.250 0.426 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.646 -5.097 -1.320 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.071 -2.506 -1.283 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -11.107 -2.481 -2.746 1.00 0.00 H new ATOM 765 N LEU A 48 -9.137 -5.732 -2.382 1.00 0.00 N ATOM 766 CA LEU A 48 -8.227 -6.328 -3.354 1.00 0.00 C ATOM 767 C LEU A 48 -7.654 -5.265 -4.286 1.00 0.00 C ATOM 768 O LEU A 48 -7.617 -5.448 -5.504 1.00 0.00 O ATOM 769 CB LEU A 48 -8.951 -7.400 -4.169 1.00 0.00 C ATOM 770 CG LEU A 48 -9.305 -8.687 -3.422 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.074 -9.264 -2.741 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.406 -8.427 -2.405 1.00 0.00 C ATOM 0 H LEU A 48 -8.991 -6.043 -1.422 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.403 -6.789 -2.809 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.871 -6.968 -4.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.328 -7.660 -5.025 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.670 -9.416 -4.145 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.345 -10.179 -2.215 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.315 -9.488 -3.490 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.679 -8.539 -2.029 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.645 -9.353 -1.883 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.068 -7.682 -1.685 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.295 -8.059 -2.917 1.00 0.00 H new ATOM 784 N CYS A 49 -7.207 -4.156 -3.707 1.00 0.00 N ATOM 785 CA CYS A 49 -6.634 -3.064 -4.486 1.00 0.00 C ATOM 786 C CYS A 49 -5.583 -2.311 -3.676 1.00 0.00 C ATOM 787 O CYS A 49 -5.578 -2.364 -2.445 1.00 0.00 O ATOM 788 CB CYS A 49 -7.732 -2.102 -4.938 1.00 0.00 C ATOM 789 SG CYS A 49 -7.179 -0.856 -6.127 1.00 0.00 S ATOM 0 H CYS A 49 -7.230 -3.989 -2.701 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.151 -3.492 -5.365 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.544 -2.678 -5.382 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -8.141 -1.597 -4.063 1.00 0.00 H new ATOM 0 HG CYS A 49 -7.501 0.328 -5.697 1.00 0.00 H new ATOM 795 N LEU A 50 -4.694 -1.613 -4.373 1.00 0.00 N ATOM 796 CA LEU A 50 -3.637 -0.850 -3.719 1.00 0.00 C ATOM 797 C LEU A 50 -4.023 0.620 -3.595 1.00 0.00 C ATOM 798 O LEU A 50 -4.570 1.210 -4.528 1.00 0.00 O ATOM 799 CB LEU A 50 -2.328 -0.981 -4.500 1.00 0.00 C ATOM 800 CG LEU A 50 -1.419 -2.142 -4.095 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.141 -2.131 -4.920 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.097 -2.074 -2.609 1.00 0.00 C ATOM 0 H LEU A 50 -4.684 -1.559 -5.392 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.497 -1.256 -2.717 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.568 -1.086 -5.558 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.768 -0.052 -4.391 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.946 -3.076 -4.290 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.494 -2.964 -4.618 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.389 -2.228 -5.977 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.389 -1.193 -4.757 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.449 -2.908 -2.339 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.590 -1.134 -2.389 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.021 -2.131 -2.034 1.00 0.00 H new ATOM 814 N PHE A 51 -3.734 1.208 -2.439 1.00 0.00 N ATOM 815 CA PHE A 51 -4.049 2.610 -2.194 1.00 0.00 C ATOM 816 C PHE A 51 -2.979 3.264 -1.324 1.00 0.00 C ATOM 817 O PHE A 51 -2.680 2.792 -0.227 1.00 0.00 O ATOM 818 CB PHE A 51 -5.417 2.736 -1.520 1.00 0.00 C ATOM 819 CG PHE A 51 -6.553 2.251 -2.374 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.849 2.874 -3.576 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.326 1.172 -1.975 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.894 2.430 -4.365 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.371 0.723 -2.760 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.656 1.354 -3.955 1.00 0.00 C ATOM 0 H PHE A 51 -3.282 0.735 -1.657 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.075 3.124 -3.155 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.407 2.171 -0.588 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.590 3.780 -1.259 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.256 3.717 -3.900 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.109 0.677 -1.040 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.114 2.924 -5.300 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.964 -0.121 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.474 1.006 -4.568 1.00 0.00 H new ATOM 834 N TYR A 52 -2.406 4.354 -1.823 1.00 0.00 N ATOM 835 CA TYR A 52 -1.367 5.072 -1.094 1.00 0.00 C ATOM 836 C TYR A 52 -1.709 6.555 -0.978 1.00 0.00 C ATOM 837 O TYR A 52 -2.527 7.076 -1.737 1.00 0.00 O ATOM 838 CB TYR A 52 -0.016 4.902 -1.790 1.00 0.00 C ATOM 839 CG TYR A 52 -0.059 5.188 -3.274 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.029 6.493 -3.751 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.129 4.155 -4.200 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.069 6.760 -5.105 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.168 4.412 -5.557 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.138 5.716 -6.004 1.00 0.00 C ATOM 845 OH TYR A 52 -0.177 5.977 -7.355 1.00 0.00 O ATOM 0 H TYR A 52 -2.643 4.759 -2.728 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.306 4.652 -0.090 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.711 5.566 -1.322 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.337 3.883 -1.635 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.027 7.313 -3.050 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.153 3.133 -3.853 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.046 7.780 -5.458 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.222 3.597 -6.263 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.224 5.133 -7.850 1.00 0.00 H new ATOM 855 N TYR A 53 -1.076 7.228 -0.024 1.00 0.00 N ATOM 856 CA TYR A 53 -1.312 8.650 0.193 1.00 0.00 C ATOM 857 C TYR A 53 -0.008 9.378 0.504 1.00 0.00 C ATOM 858 O TYR A 53 1.057 8.765 0.571 1.00 0.00 O ATOM 859 CB TYR A 53 -2.308 8.854 1.337 1.00 0.00 C ATOM 860 CG TYR A 53 -3.391 7.800 1.391 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.078 6.463 1.602 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.729 8.142 1.232 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.064 5.497 1.652 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.722 7.183 1.281 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.385 5.862 1.491 1.00 0.00 C ATOM 866 OH TYR A 53 -6.370 4.903 1.541 1.00 0.00 O ATOM 0 H TYR A 53 -0.395 6.812 0.611 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.730 9.067 -0.723 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.767 8.856 2.283 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.772 9.835 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.045 6.174 1.729 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.997 9.175 1.067 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.803 4.462 1.816 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.757 7.466 1.156 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.245 5.325 1.411 1.00 0.00 H new ATOM 876 N ARG A 54 -0.102 10.690 0.694 1.00 0.00 N ATOM 877 CA ARG A 54 1.070 11.503 0.998 1.00 0.00 C ATOM 878 C ARG A 54 1.811 10.957 2.215 1.00 0.00 C ATOM 879 O ARG A 54 3.029 10.781 2.185 1.00 0.00 O ATOM 880 CB ARG A 54 0.658 12.955 1.248 1.00 0.00 C ATOM 881 CG ARG A 54 0.433 13.753 -0.027 1.00 0.00 C ATOM 882 CD ARG A 54 0.082 15.201 0.277 1.00 0.00 C ATOM 883 NE ARG A 54 0.113 16.034 -0.922 1.00 0.00 N ATOM 884 CZ ARG A 54 -0.296 17.298 -0.950 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.765 17.870 0.150 1.00 0.00 N ATOM 886 NH2 ARG A 54 -0.237 17.991 -2.080 1.00 0.00 N ATOM 0 H ARG A 54 -0.977 11.212 0.643 1.00 0.00 H new ATOM 0 HA ARG A 54 1.740 11.464 0.139 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.257 12.967 1.840 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.429 13.445 1.842 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.331 13.717 -0.643 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.370 13.297 -0.606 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.911 15.247 0.725 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.782 15.597 1.012 1.00 0.00 H new ATOM 0 HE ARG A 54 0.468 15.623 -1.785 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.812 17.340 1.020 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.078 18.840 0.126 1.00 0.00 H new ATOM 0 HH21 ARG A 54 0.123 17.554 -2.928 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.551 18.961 -2.100 1.00 0.00 H new ATOM 900 N ASP A 55 1.067 10.691 3.283 1.00 0.00 N ATOM 901 CA ASP A 55 1.653 10.164 4.510 1.00 0.00 C ATOM 902 C ASP A 55 0.627 9.357 5.299 1.00 0.00 C ATOM 903 O ASP A 55 -0.497 9.149 4.842 1.00 0.00 O ATOM 904 CB ASP A 55 2.195 11.305 5.373 1.00 0.00 C ATOM 905 CG ASP A 55 1.228 12.469 5.468 1.00 0.00 C ATOM 906 OD1 ASP A 55 0.121 12.368 4.898 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.578 13.481 6.111 1.00 0.00 O ATOM 0 H ASP A 55 0.058 10.832 3.324 1.00 0.00 H new ATOM 0 HA ASP A 55 2.476 9.504 4.236 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.407 10.930 6.374 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.140 11.654 4.957 1.00 0.00 H new ATOM 912 N GLU A 56 1.022 8.903 6.484 1.00 0.00 N ATOM 913 CA GLU A 56 0.137 8.117 7.335 1.00 0.00 C ATOM 914 C GLU A 56 -1.221 8.797 7.484 1.00 0.00 C ATOM 915 O GLU A 56 -2.249 8.135 7.620 1.00 0.00 O ATOM 916 CB GLU A 56 0.769 7.908 8.713 1.00 0.00 C ATOM 917 CG GLU A 56 0.951 9.195 9.500 1.00 0.00 C ATOM 918 CD GLU A 56 2.129 10.016 9.012 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.163 9.415 8.653 1.00 0.00 O ATOM 920 OE2 GLU A 56 2.016 11.260 8.989 1.00 0.00 O ATOM 0 H GLU A 56 1.949 9.066 6.876 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.012 7.147 6.861 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.146 7.224 9.289 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.739 7.427 8.589 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.042 9.792 9.428 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.092 8.955 10.554 1.00 0.00 H new ATOM 927 N LYS A 57 -1.216 10.126 7.458 1.00 0.00 N ATOM 928 CA LYS A 57 -2.445 10.899 7.589 1.00 0.00 C ATOM 929 C LYS A 57 -3.533 10.351 6.671 1.00 0.00 C ATOM 930 O LYS A 57 -4.723 10.513 6.939 1.00 0.00 O ATOM 931 CB LYS A 57 -2.183 12.371 7.264 1.00 0.00 C ATOM 932 CG LYS A 57 -1.068 12.987 8.091 1.00 0.00 C ATOM 933 CD LYS A 57 -1.455 13.097 9.556 1.00 0.00 C ATOM 934 CE LYS A 57 -2.250 14.364 9.830 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.366 15.509 10.181 1.00 0.00 N ATOM 0 H LYS A 57 -0.373 10.690 7.347 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.788 10.816 8.620 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.933 12.462 6.207 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.100 12.939 7.425 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.167 12.381 7.996 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.829 13.977 7.702 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.045 12.227 9.844 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.556 13.090 10.172 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.842 14.619 8.951 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.951 14.184 10.645 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -1.946 16.353 10.360 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.820 15.277 11.035 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.714 15.698 9.393 1.00 0.00 H new ATOM 949 N GLU A 58 -3.116 9.701 5.589 1.00 0.00 N ATOM 950 CA GLU A 58 -4.056 9.129 4.632 1.00 0.00 C ATOM 951 C GLU A 58 -5.022 10.191 4.117 1.00 0.00 C ATOM 952 O GLU A 58 -6.216 9.937 3.965 1.00 0.00 O ATOM 953 CB GLU A 58 -4.838 7.982 5.276 1.00 0.00 C ATOM 954 CG GLU A 58 -4.097 6.656 5.261 1.00 0.00 C ATOM 955 CD GLU A 58 -4.790 5.591 6.090 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.359 5.937 7.145 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.762 4.411 5.681 1.00 0.00 O ATOM 0 H GLU A 58 -2.134 9.557 5.353 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.485 8.742 3.788 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.071 8.247 6.307 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.788 7.864 4.755 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.004 6.307 4.232 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.086 6.805 5.639 1.00 0.00 H new ATOM 964 N GLU A 59 -4.495 11.382 3.850 1.00 0.00 N ATOM 965 CA GLU A 59 -5.311 12.484 3.353 1.00 0.00 C ATOM 966 C GLU A 59 -5.323 12.507 1.827 1.00 0.00 C ATOM 967 O GLU A 59 -4.325 12.848 1.193 1.00 0.00 O ATOM 968 CB GLU A 59 -4.788 13.818 3.890 1.00 0.00 C ATOM 969 CG GLU A 59 -4.548 13.818 5.390 1.00 0.00 C ATOM 970 CD GLU A 59 -4.750 15.186 6.013 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.831 15.777 5.808 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.827 15.665 6.704 1.00 0.00 O ATOM 0 H GLU A 59 -3.508 11.608 3.969 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.332 12.334 3.705 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.856 14.064 3.381 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -5.502 14.604 3.645 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.223 13.105 5.862 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -3.532 13.477 5.592 1.00 0.00 H new ATOM 979 N GLY A 60 -6.460 12.140 1.244 1.00 0.00 N ATOM 980 CA GLY A 60 -6.581 12.125 -0.202 1.00 0.00 C ATOM 981 C GLY A 60 -5.602 11.170 -0.856 1.00 0.00 C ATOM 982 O GLY A 60 -4.419 11.154 -0.514 1.00 0.00 O ATOM 0 H GLY A 60 -7.299 11.853 1.747 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.597 11.842 -0.476 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.415 13.131 -0.588 1.00 0.00 H new ATOM 986 N ILE A 61 -6.095 10.372 -1.797 1.00 0.00 N ATOM 987 CA ILE A 61 -5.254 9.410 -2.499 1.00 0.00 C ATOM 988 C ILE A 61 -4.573 10.051 -3.703 1.00 0.00 C ATOM 989 O ILE A 61 -5.232 10.634 -4.565 1.00 0.00 O ATOM 990 CB ILE A 61 -6.068 8.191 -2.972 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.787 7.541 -1.788 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.160 7.185 -3.664 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.657 6.367 -2.181 1.00 0.00 C ATOM 0 H ILE A 61 -7.072 10.372 -2.091 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.495 9.077 -1.790 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.818 8.528 -3.688 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.046 7.207 -1.062 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.404 8.290 -1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.749 6.329 -3.993 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.689 7.654 -4.528 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.391 6.850 -2.968 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.136 5.955 -1.292 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.421 6.699 -2.884 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.042 5.599 -2.650 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.251 9.938 -3.758 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.479 10.505 -4.859 1.00 0.00 C ATOM 1007 C LEU A 62 -2.612 9.649 -6.114 1.00 0.00 C ATOM 1008 O LEU A 62 -2.622 10.164 -7.231 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.006 10.628 -4.465 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.726 10.855 -2.979 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.749 11.148 -2.754 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.585 11.990 -2.442 1.00 0.00 C ATOM 0 H LEU A 62 -2.691 9.459 -3.053 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.875 11.497 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.490 9.720 -4.777 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.568 11.453 -5.027 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.982 9.945 -2.437 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.930 11.307 -1.691 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.345 10.304 -3.102 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.031 12.043 -3.308 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.373 12.138 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.360 12.906 -2.988 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.638 11.741 -2.569 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.716 8.337 -5.922 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.849 7.431 -7.048 1.00 0.00 C ATOM 1026 C GLY A 63 -3.208 6.022 -6.618 1.00 0.00 C ATOM 1027 O GLY A 63 -2.699 5.523 -5.615 1.00 0.00 O ATOM 0 H GLY A 63 -2.710 7.886 -5.007 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.616 7.808 -7.725 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.913 7.410 -7.606 1.00 0.00 H new ATOM 1031 N SER A 64 -4.088 5.379 -7.379 1.00 0.00 N ATOM 1032 CA SER A 64 -4.518 4.021 -7.068 1.00 0.00 C ATOM 1033 C SER A 64 -3.867 3.015 -8.012 1.00 0.00 C ATOM 1034 O SER A 64 -3.597 3.322 -9.174 1.00 0.00 O ATOM 1035 CB SER A 64 -6.042 3.912 -7.161 1.00 0.00 C ATOM 1036 OG SER A 64 -6.527 4.545 -8.333 1.00 0.00 O ATOM 0 H SER A 64 -4.517 5.776 -8.215 1.00 0.00 H new ATOM 0 HA SER A 64 -4.205 3.792 -6.049 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.335 2.862 -7.163 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.497 4.369 -6.282 1.00 0.00 H new ATOM 0 HG SER A 64 -7.503 4.460 -8.371 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.616 1.813 -7.505 1.00 0.00 N ATOM 1043 CA ILE A 65 -2.997 0.761 -8.302 1.00 0.00 C ATOM 1044 C ILE A 65 -3.834 -0.514 -8.275 1.00 0.00 C ATOM 1045 O ILE A 65 -4.152 -1.038 -7.207 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.576 0.440 -7.804 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.598 1.531 -8.245 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.129 -0.920 -8.320 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.701 1.527 -7.471 1.00 0.00 C ATOM 0 H ILE A 65 -3.832 1.543 -6.545 1.00 0.00 H new ATOM 0 HA ILE A 65 -2.939 1.133 -9.325 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.587 0.408 -6.715 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.380 1.405 -9.306 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.076 2.504 -8.131 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.123 -1.133 -7.960 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.813 -1.688 -7.961 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.130 -0.914 -9.410 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.345 2.326 -7.837 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.494 1.684 -6.412 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.201 0.568 -7.605 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.186 -1.008 -9.456 1.00 0.00 N ATOM 1062 CA LEU A 66 -4.985 -2.224 -9.569 1.00 0.00 C ATOM 1063 C LEU A 66 -4.098 -3.464 -9.517 1.00 0.00 C ATOM 1064 O LEU A 66 -3.335 -3.734 -10.445 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.788 -2.211 -10.871 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.191 -1.610 -10.788 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.085 -2.461 -9.899 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.129 -0.180 -10.271 1.00 0.00 C ATOM 0 H LEU A 66 -3.931 -0.586 -10.349 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.674 -2.257 -8.725 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.221 -1.657 -11.619 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.874 -3.236 -11.231 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.618 -1.595 -11.791 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.080 -2.017 -9.852 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.156 -3.468 -10.311 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.661 -2.509 -8.896 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.137 0.232 -10.218 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.681 -0.171 -9.277 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.524 0.425 -10.947 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.206 -4.217 -8.428 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.416 -5.431 -8.256 1.00 0.00 C ATOM 1082 C LEU A 67 -3.841 -6.503 -9.254 1.00 0.00 C ATOM 1083 O LEU A 67 -3.013 -7.174 -9.872 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.564 -5.961 -6.828 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.538 -5.453 -5.814 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.793 -6.065 -4.445 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.125 -5.763 -6.285 1.00 0.00 C ATOM 0 H LEU A 67 -4.833 -4.008 -7.651 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.370 -5.184 -8.439 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.560 -5.703 -6.467 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.508 -7.049 -6.858 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.642 -4.371 -5.730 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.053 -5.692 -3.736 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.792 -5.792 -4.105 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.717 -7.150 -4.512 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.408 -5.394 -5.551 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.007 -6.841 -6.398 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.946 -5.276 -7.244 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.161 -6.669 -9.420 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.725 -7.656 -10.345 1.00 0.00 C ATOM 1101 C PRO A 68 -5.071 -7.602 -11.721 1.00 0.00 C ATOM 1102 O PRO A 68 -5.056 -8.592 -12.452 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.199 -7.254 -10.438 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.483 -6.555 -9.153 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.205 -5.905 -8.717 1.00 0.00 C ATOM 0 HA PRO A 68 -5.568 -8.677 -9.996 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.378 -6.601 -11.292 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.840 -8.126 -10.564 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.269 -5.811 -9.284 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.834 -7.260 -8.400 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.180 -4.850 -8.990 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.079 -5.958 -7.636 1.00 0.00 H new ATOM 1113 N SER A 69 -4.529 -6.438 -12.068 1.00 0.00 N ATOM 1114 CA SER A 69 -3.875 -6.254 -13.358 1.00 0.00 C ATOM 1115 C SER A 69 -2.379 -6.535 -13.254 1.00 0.00 C ATOM 1116 O SER A 69 -1.719 -6.824 -14.253 1.00 0.00 O ATOM 1117 CB SER A 69 -4.104 -4.831 -13.871 1.00 0.00 C ATOM 1118 OG SER A 69 -5.466 -4.623 -14.206 1.00 0.00 O ATOM 0 H SER A 69 -4.530 -5.609 -11.474 1.00 0.00 H new ATOM 0 HA SER A 69 -4.311 -6.961 -14.063 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.800 -4.113 -13.109 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.479 -4.651 -14.746 1.00 0.00 H new ATOM 0 HG SER A 69 -5.587 -3.706 -14.530 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.850 -6.447 -12.038 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.432 -6.690 -11.802 1.00 0.00 C ATOM 1126 C PHE A 70 -0.160 -8.179 -11.609 1.00 0.00 C ATOM 1127 O PHE A 70 -1.039 -8.930 -11.188 1.00 0.00 O ATOM 1128 CB PHE A 70 0.043 -5.909 -10.575 1.00 0.00 C ATOM 1129 CG PHE A 70 0.558 -4.536 -10.901 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.761 -4.373 -11.569 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.161 -3.409 -10.539 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.237 -3.111 -11.869 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.310 -2.144 -10.837 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.511 -1.995 -11.503 1.00 0.00 C ATOM 0 H PHE A 70 -2.382 -6.209 -11.201 1.00 0.00 H new ATOM 0 HA PHE A 70 0.121 -6.349 -12.677 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.782 -5.821 -9.869 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.830 -6.475 -10.076 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.333 -5.242 -11.858 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.100 -3.520 -10.018 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.176 -2.998 -12.390 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.260 -1.273 -10.549 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.881 -1.008 -11.737 1.00 0.00 H new ATOM 1144 N GLN A 71 1.063 -8.596 -11.920 1.00 0.00 N ATOM 1145 CA GLN A 71 1.450 -9.995 -11.781 1.00 0.00 C ATOM 1146 C GLN A 71 2.558 -10.153 -10.745 1.00 0.00 C ATOM 1147 O GLN A 71 3.705 -9.777 -10.986 1.00 0.00 O ATOM 1148 CB GLN A 71 1.912 -10.554 -13.128 1.00 0.00 C ATOM 1149 CG GLN A 71 2.933 -11.674 -13.004 1.00 0.00 C ATOM 1150 CD GLN A 71 3.074 -12.479 -14.281 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.677 -13.643 -14.342 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.641 -11.861 -15.311 1.00 0.00 N ATOM 0 H GLN A 71 1.802 -7.986 -12.269 1.00 0.00 H new ATOM 0 HA GLN A 71 0.578 -10.555 -11.442 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.045 -10.923 -13.676 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.342 -9.746 -13.719 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.901 -11.250 -12.737 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.641 -12.338 -12.191 1.00 0.00 H new ATOM 0 HE21 GLN A 71 3.955 -10.895 -15.216 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.762 -12.352 -16.197 1.00 0.00 H new ATOM 1161 N ILE A 72 2.206 -10.711 -9.591 1.00 0.00 N ATOM 1162 CA ILE A 72 3.171 -10.919 -8.519 1.00 0.00 C ATOM 1163 C ILE A 72 4.014 -12.164 -8.771 1.00 0.00 C ATOM 1164 O ILE A 72 3.514 -13.287 -8.711 1.00 0.00 O ATOM 1165 CB ILE A 72 2.474 -11.053 -7.152 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.273 -10.108 -7.073 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.455 -10.767 -6.026 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.617 -8.667 -7.374 1.00 0.00 C ATOM 0 H ILE A 72 1.260 -11.027 -9.375 1.00 0.00 H new ATOM 0 HA ILE A 72 3.818 -10.042 -8.504 1.00 0.00 H new ATOM 0 HB ILE A 72 2.115 -12.076 -7.043 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.509 -10.445 -7.774 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.839 -10.168 -6.075 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.947 -10.866 -5.067 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.281 -11.477 -6.074 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.842 -9.753 -6.129 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.718 -8.055 -7.299 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.358 -8.312 -6.657 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.024 -8.593 -8.383 1.00 0.00 H new ATOM 1180 N ALA A 73 5.296 -11.957 -9.053 1.00 0.00 N ATOM 1181 CA ALA A 73 6.209 -13.064 -9.312 1.00 0.00 C ATOM 1182 C ALA A 73 7.595 -12.775 -8.745 1.00 0.00 C ATOM 1183 O ALA A 73 8.132 -11.680 -8.918 1.00 0.00 O ATOM 1184 CB ALA A 73 6.295 -13.340 -10.805 1.00 0.00 C ATOM 0 H ALA A 73 5.726 -11.034 -9.108 1.00 0.00 H new ATOM 0 HA ALA A 73 5.817 -13.950 -8.813 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.980 -14.169 -10.983 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.307 -13.598 -11.185 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.660 -12.451 -11.319 1.00 0.00 H new ATOM 1190 N LEU A 74 8.169 -13.762 -8.066 1.00 0.00 N ATOM 1191 CA LEU A 74 9.494 -13.613 -7.473 1.00 0.00 C ATOM 1192 C LEU A 74 10.515 -13.184 -8.521 1.00 0.00 C ATOM 1193 O LEU A 74 10.543 -13.717 -9.631 1.00 0.00 O ATOM 1194 CB LEU A 74 9.933 -14.927 -6.823 1.00 0.00 C ATOM 1195 CG LEU A 74 9.452 -15.161 -5.391 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.008 -14.094 -4.460 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.932 -15.181 -5.335 1.00 0.00 C ATOM 0 H LEU A 74 7.738 -14.674 -7.912 1.00 0.00 H new ATOM 0 HA LEU A 74 9.439 -12.837 -6.709 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.580 -15.751 -7.443 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.022 -14.966 -6.830 1.00 0.00 H new ATOM 0 HG LEU A 74 9.820 -16.132 -5.059 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.655 -14.277 -3.445 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.097 -14.128 -4.477 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.671 -13.111 -4.790 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.608 -15.349 -4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.542 -14.226 -5.687 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.555 -15.983 -5.970 1.00 0.00 H new ATOM 1209 N LEU A 75 11.355 -12.220 -8.161 1.00 0.00 N ATOM 1210 CA LEU A 75 12.381 -11.720 -9.070 1.00 0.00 C ATOM 1211 C LEU A 75 13.133 -12.872 -9.729 1.00 0.00 C ATOM 1212 O LEU A 75 13.106 -14.004 -9.244 1.00 0.00 O ATOM 1213 CB LEU A 75 13.363 -10.820 -8.317 1.00 0.00 C ATOM 1214 CG LEU A 75 12.744 -9.674 -7.516 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.821 -8.897 -6.776 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.951 -8.751 -8.431 1.00 0.00 C ATOM 0 H LEU A 75 11.346 -11.769 -7.246 1.00 0.00 H new ATOM 0 HA LEU A 75 11.889 -11.138 -9.849 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.944 -11.441 -7.635 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.063 -10.397 -9.038 1.00 0.00 H new ATOM 0 HG LEU A 75 12.061 -10.098 -6.780 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.361 -8.086 -6.212 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.345 -9.564 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.530 -8.484 -7.494 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.518 -7.941 -7.844 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.613 -8.335 -9.190 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.154 -9.315 -8.915 1.00 0.00 H new ATOM 1377 N TYR A 85 14.745 -10.640 -0.684 1.00 0.00 N ATOM 1378 CA TYR A 85 13.451 -10.534 -0.022 1.00 0.00 C ATOM 1379 C TYR A 85 12.590 -9.460 -0.680 1.00 0.00 C ATOM 1380 O TYR A 85 11.931 -8.674 0.001 1.00 0.00 O ATOM 1381 CB TYR A 85 13.638 -10.216 1.462 1.00 0.00 C ATOM 1382 CG TYR A 85 14.293 -11.333 2.243 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.602 -11.717 1.979 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.602 -12.006 3.243 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.204 -12.737 2.689 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.196 -13.027 3.959 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.497 -13.389 3.678 1.00 0.00 C ATOM 1388 OH TYR A 85 16.093 -14.406 4.389 1.00 0.00 O ATOM 0 HA TYR A 85 12.942 -11.493 -0.119 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.242 -9.314 1.558 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.666 -9.997 1.903 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.158 -11.209 1.205 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.583 -11.726 3.464 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.223 -13.023 2.471 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.645 -13.539 4.734 1.00 0.00 H new ATOM 0 HH TYR A 85 15.460 -14.759 5.049 1.00 0.00 H new ATOM 1398 N ALA A 86 12.600 -9.433 -2.008 1.00 0.00 N ATOM 1399 CA ALA A 86 11.819 -8.458 -2.759 1.00 0.00 C ATOM 1400 C ALA A 86 11.133 -9.108 -3.955 1.00 0.00 C ATOM 1401 O ALA A 86 11.591 -10.130 -4.467 1.00 0.00 O ATOM 1402 CB ALA A 86 12.706 -7.310 -3.217 1.00 0.00 C ATOM 0 H ALA A 86 13.141 -10.076 -2.587 1.00 0.00 H new ATOM 0 HA ALA A 86 11.046 -8.064 -2.099 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.109 -6.590 -3.777 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.145 -6.820 -2.348 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.501 -7.696 -3.855 1.00 0.00 H new ATOM 1408 N PHE A 87 10.031 -8.510 -4.397 1.00 0.00 N ATOM 1409 CA PHE A 87 9.280 -9.033 -5.533 1.00 0.00 C ATOM 1410 C PHE A 87 8.969 -7.925 -6.535 1.00 0.00 C ATOM 1411 O PHE A 87 9.218 -6.748 -6.274 1.00 0.00 O ATOM 1412 CB PHE A 87 7.981 -9.685 -5.056 1.00 0.00 C ATOM 1413 CG PHE A 87 7.311 -8.938 -3.938 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.797 -9.019 -2.643 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.193 -8.156 -4.182 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.183 -8.333 -1.612 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.575 -7.468 -3.155 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.070 -7.558 -1.869 1.00 0.00 C ATOM 0 H PHE A 87 9.638 -7.663 -3.986 1.00 0.00 H new ATOM 0 HA PHE A 87 9.894 -9.785 -6.028 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.291 -9.760 -5.897 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.194 -10.702 -4.727 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.666 -9.626 -2.437 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.801 -8.084 -5.186 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.573 -8.403 -0.607 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.706 -6.860 -3.358 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.587 -7.023 -1.065 1.00 0.00 H new ATOM 1428 N LYS A 88 8.422 -8.310 -7.682 1.00 0.00 N ATOM 1429 CA LYS A 88 8.075 -7.352 -8.725 1.00 0.00 C ATOM 1430 C LYS A 88 6.682 -7.633 -9.280 1.00 0.00 C ATOM 1431 O LYS A 88 6.217 -8.772 -9.269 1.00 0.00 O ATOM 1432 CB LYS A 88 9.105 -7.401 -9.855 1.00 0.00 C ATOM 1433 CG LYS A 88 9.076 -8.695 -10.649 1.00 0.00 C ATOM 1434 CD LYS A 88 9.853 -8.570 -11.949 1.00 0.00 C ATOM 1435 CE LYS A 88 9.386 -9.587 -12.978 1.00 0.00 C ATOM 1436 NZ LYS A 88 10.434 -9.866 -13.999 1.00 0.00 N ATOM 0 H LYS A 88 8.209 -9.280 -7.914 1.00 0.00 H new ATOM 0 HA LYS A 88 8.077 -6.356 -8.283 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.929 -6.565 -10.532 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.101 -7.265 -9.433 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.498 -9.501 -10.048 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.043 -8.966 -10.866 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.733 -7.564 -12.350 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.916 -8.711 -11.754 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.114 -10.515 -12.474 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.487 -9.217 -13.472 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 10.076 -10.564 -14.682 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 10.676 -8.986 -14.498 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.283 -10.243 -13.531 1.00 0.00 H new ATOM 1450 N ALA A 89 6.022 -6.587 -9.766 1.00 0.00 N ATOM 1451 CA ALA A 89 4.684 -6.722 -10.329 1.00 0.00 C ATOM 1452 C ALA A 89 4.648 -6.253 -11.780 1.00 0.00 C ATOM 1453 O ALA A 89 4.950 -5.098 -12.076 1.00 0.00 O ATOM 1454 CB ALA A 89 3.679 -5.941 -9.495 1.00 0.00 C ATOM 0 H ALA A 89 6.392 -5.637 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 89 4.414 -7.778 -10.309 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.684 -6.051 -9.927 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.676 -6.325 -8.475 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.956 -4.887 -9.485 1.00 0.00 H new ATOM 1460 N ALA A 90 4.279 -7.158 -12.680 1.00 0.00 N ATOM 1461 CA ALA A 90 4.203 -6.836 -14.100 1.00 0.00 C ATOM 1462 C ALA A 90 2.799 -6.384 -14.486 1.00 0.00 C ATOM 1463 O ALA A 90 1.806 -6.967 -14.050 1.00 0.00 O ATOM 1464 CB ALA A 90 4.621 -8.036 -14.936 1.00 0.00 C ATOM 0 H ALA A 90 4.028 -8.120 -12.451 1.00 0.00 H new ATOM 0 HA ALA A 90 4.889 -6.012 -14.298 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.559 -7.781 -15.994 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.646 -8.313 -14.688 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.958 -8.875 -14.725 1.00 0.00 H new ATOM 1470 N HIS A 91 2.723 -5.340 -15.306 1.00 0.00 N ATOM 1471 CA HIS A 91 1.439 -4.809 -15.750 1.00 0.00 C ATOM 1472 C HIS A 91 1.406 -4.667 -17.269 1.00 0.00 C ATOM 1473 O HIS A 91 2.383 -4.262 -17.900 1.00 0.00 O ATOM 1474 CB HIS A 91 1.168 -3.455 -15.094 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.278 -3.065 -15.100 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.905 -2.517 -16.199 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.222 -3.149 -14.133 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.171 -2.279 -15.907 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.389 -2.653 -14.659 1.00 0.00 N ATOM 0 H HIS A 91 3.535 -4.846 -15.676 1.00 0.00 H new ATOM 0 HA HIS A 91 0.661 -5.511 -15.451 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.524 -3.482 -14.064 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.745 -2.688 -15.611 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.083 -3.534 -13.134 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.904 -1.851 -16.575 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.279 -2.584 -14.166 1.00 0.00 H new ATOM 1488 N PRO A 92 0.258 -5.008 -17.872 1.00 0.00 N ATOM 1489 CA PRO A 92 0.071 -4.927 -19.323 1.00 0.00 C ATOM 1490 C PRO A 92 -0.072 -3.489 -19.810 1.00 0.00 C ATOM 1491 O PRO A 92 0.588 -3.079 -20.764 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.229 -5.702 -19.557 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.984 -5.569 -18.280 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.947 -5.499 -17.182 1.00 0.00 C ATOM 0 HA PRO A 92 0.926 -5.328 -19.867 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.791 -5.288 -20.394 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.030 -6.748 -19.792 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.605 -4.673 -18.287 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.651 -6.418 -18.132 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.254 -4.824 -16.383 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.779 -6.475 -16.727 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.936 -2.728 -19.147 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.165 -1.334 -19.513 1.00 0.00 C ATOM 1504 C ASN A 93 -0.261 -0.405 -18.708 1.00 0.00 C ATOM 1505 O ASN A 93 -0.509 0.797 -18.623 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.631 -0.960 -19.288 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.078 0.184 -20.177 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.488 0.437 -21.227 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.127 0.883 -19.758 1.00 0.00 N ATOM 0 H ASN A 93 -1.489 -3.052 -18.354 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.926 -1.218 -20.570 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.259 -1.831 -19.478 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.777 -0.684 -18.244 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.474 1.665 -20.314 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.586 0.638 -18.881 1.00 0.00 H new ATOM 1516 N MET A 94 0.787 -0.972 -18.119 1.00 0.00 N ATOM 1517 CA MET A 94 1.728 -0.194 -17.322 1.00 0.00 C ATOM 1518 C MET A 94 3.096 -0.868 -17.285 1.00 0.00 C ATOM 1519 O MET A 94 3.302 -1.909 -17.908 1.00 0.00 O ATOM 1520 CB MET A 94 1.197 -0.014 -15.898 1.00 0.00 C ATOM 1521 CG MET A 94 0.327 1.220 -15.725 1.00 0.00 C ATOM 1522 SD MET A 94 -0.001 1.602 -13.994 1.00 0.00 S ATOM 1523 CE MET A 94 -0.688 0.048 -13.428 1.00 0.00 C ATOM 0 H MET A 94 1.006 -1.967 -18.179 1.00 0.00 H new ATOM 0 HA MET A 94 1.837 0.785 -17.788 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.621 -0.896 -15.620 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.040 0.047 -15.210 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.816 2.073 -16.195 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.619 1.069 -16.245 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.007 0.148 -12.391 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.544 -0.218 -14.047 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.069 -0.733 -13.501 1.00 0.00 H new ATOM 1533 N ARG A 95 4.027 -0.266 -16.553 1.00 0.00 N ATOM 1534 CA ARG A 95 5.376 -0.807 -16.437 1.00 0.00 C ATOM 1535 C ARG A 95 5.460 -1.820 -15.298 1.00 0.00 C ATOM 1536 O ARG A 95 4.476 -2.070 -14.601 1.00 0.00 O ATOM 1537 CB ARG A 95 6.383 0.321 -16.205 1.00 0.00 C ATOM 1538 CG ARG A 95 6.062 1.185 -14.997 1.00 0.00 C ATOM 1539 CD ARG A 95 7.155 2.211 -14.740 1.00 0.00 C ATOM 1540 NE ARG A 95 7.054 3.356 -15.641 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.577 3.379 -16.862 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.235 2.325 -17.325 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.443 4.458 -17.622 1.00 0.00 N ATOM 0 H ARG A 95 3.872 0.597 -16.031 1.00 0.00 H new ATOM 0 HA ARG A 95 5.618 -1.315 -17.371 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.376 -0.110 -16.079 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.420 0.952 -17.093 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.112 1.696 -15.155 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.941 0.552 -14.118 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.093 2.556 -13.708 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.130 1.740 -14.861 1.00 0.00 H new ATOM 0 HE ARG A 95 6.555 4.183 -15.315 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.341 1.494 -16.743 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.636 2.345 -18.263 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.938 5.271 -17.269 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.845 4.475 -18.559 1.00 0.00 H new ATOM 1557 N THR A 96 6.641 -2.401 -15.116 1.00 0.00 N ATOM 1558 CA THR A 96 6.854 -3.387 -14.064 1.00 0.00 C ATOM 1559 C THR A 96 7.277 -2.719 -12.761 1.00 0.00 C ATOM 1560 O THR A 96 8.300 -2.036 -12.706 1.00 0.00 O ATOM 1561 CB THR A 96 7.923 -4.420 -14.469 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.585 -5.005 -15.731 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.048 -5.510 -13.416 1.00 0.00 C ATOM 0 H THR A 96 7.465 -2.206 -15.684 1.00 0.00 H new ATOM 0 HA THR A 96 5.903 -3.899 -13.915 1.00 0.00 H new ATOM 0 HB THR A 96 8.881 -3.906 -14.552 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.270 -5.659 -15.982 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.808 -6.228 -13.724 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.334 -5.064 -12.463 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.091 -6.020 -13.305 1.00 0.00 H new ATOM 1571 N TYR A 97 6.485 -2.921 -11.713 1.00 0.00 N ATOM 1572 CA TYR A 97 6.777 -2.336 -10.410 1.00 0.00 C ATOM 1573 C TYR A 97 7.665 -3.262 -9.584 1.00 0.00 C ATOM 1574 O TYR A 97 7.819 -4.441 -9.903 1.00 0.00 O ATOM 1575 CB TYR A 97 5.479 -2.047 -9.655 1.00 0.00 C ATOM 1576 CG TYR A 97 4.771 -0.797 -10.123 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.633 -0.518 -11.477 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.238 0.107 -9.211 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.987 0.624 -11.910 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.589 1.251 -9.635 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.467 1.505 -10.985 1.00 0.00 C ATOM 1582 OH TYR A 97 2.822 2.643 -11.412 1.00 0.00 O ATOM 0 H TYR A 97 5.636 -3.486 -11.741 1.00 0.00 H new ATOM 0 HA TYR A 97 7.311 -1.400 -10.571 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.807 -2.898 -9.766 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.700 -1.952 -8.592 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.038 -1.206 -12.204 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.333 -0.088 -8.153 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.890 0.826 -12.967 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.180 1.942 -8.913 1.00 0.00 H new ATOM 0 HH TYR A 97 2.514 3.155 -10.635 1.00 0.00 H new ATOM 1592 N TYR A 98 8.246 -2.719 -8.520 1.00 0.00 N ATOM 1593 CA TYR A 98 9.120 -3.494 -7.648 1.00 0.00 C ATOM 1594 C TYR A 98 8.947 -3.075 -6.191 1.00 0.00 C ATOM 1595 O TYR A 98 8.960 -1.887 -5.869 1.00 0.00 O ATOM 1596 CB TYR A 98 10.580 -3.321 -8.070 1.00 0.00 C ATOM 1597 CG TYR A 98 10.902 -3.945 -9.409 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.442 -3.376 -10.590 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.664 -5.103 -9.493 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.732 -3.942 -11.816 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.961 -5.676 -10.715 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.492 -5.092 -11.874 1.00 0.00 C ATOM 1603 OH TYR A 98 11.784 -5.660 -13.093 1.00 0.00 O ATOM 0 H TYR A 98 8.127 -1.745 -8.241 1.00 0.00 H new ATOM 0 HA TYR A 98 8.844 -4.544 -7.740 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.814 -2.257 -8.109 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.224 -3.762 -7.309 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.847 -2.475 -10.549 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.031 -5.564 -8.588 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.366 -3.487 -12.724 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.557 -6.576 -10.763 1.00 0.00 H new ATOM 0 HH TYR A 98 12.329 -6.463 -12.958 1.00 0.00 H new ATOM 1613 N PHE A 99 8.785 -4.061 -5.314 1.00 0.00 N ATOM 1614 CA PHE A 99 8.609 -3.796 -3.891 1.00 0.00 C ATOM 1615 C PHE A 99 9.484 -4.723 -3.053 1.00 0.00 C ATOM 1616 O PHE A 99 9.694 -5.884 -3.406 1.00 0.00 O ATOM 1617 CB PHE A 99 7.141 -3.969 -3.497 1.00 0.00 C ATOM 1618 CG PHE A 99 6.179 -3.422 -4.513 1.00 0.00 C ATOM 1619 CD1 PHE A 99 6.014 -2.055 -4.665 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.439 -4.276 -5.316 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.130 -1.549 -5.600 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.554 -3.776 -6.252 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.399 -2.410 -6.393 1.00 0.00 C ATOM 0 H PHE A 99 8.772 -5.050 -5.564 1.00 0.00 H new ATOM 0 HA PHE A 99 8.912 -2.767 -3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.936 -5.029 -3.348 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.969 -3.473 -2.542 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.582 -1.377 -4.046 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.556 -5.344 -5.209 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.012 -0.481 -5.710 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.984 -4.452 -6.873 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.707 -2.017 -7.123 1.00 0.00 H new ATOM 1633 N CYS A 100 9.994 -4.202 -1.942 1.00 0.00 N ATOM 1634 CA CYS A 100 10.848 -4.982 -1.054 1.00 0.00 C ATOM 1635 C CYS A 100 10.482 -4.736 0.406 1.00 0.00 C ATOM 1636 O CYS A 100 9.816 -3.753 0.734 1.00 0.00 O ATOM 1637 CB CYS A 100 12.318 -4.632 -1.290 1.00 0.00 C ATOM 1638 SG CYS A 100 12.796 -2.999 -0.679 1.00 0.00 S ATOM 0 H CYS A 100 9.831 -3.243 -1.635 1.00 0.00 H new ATOM 0 HA CYS A 100 10.693 -6.038 -1.275 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.941 -5.385 -0.808 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.525 -4.683 -2.359 1.00 0.00 H new ATOM 0 HG CYS A 100 12.805 -2.152 -1.665 1.00 0.00 H new ATOM 1644 N THR A 101 10.921 -5.636 1.281 1.00 0.00 N ATOM 1645 CA THR A 101 10.638 -5.518 2.706 1.00 0.00 C ATOM 1646 C THR A 101 11.906 -5.690 3.534 1.00 0.00 C ATOM 1647 O THR A 101 12.995 -5.869 2.990 1.00 0.00 O ATOM 1648 CB THR A 101 9.597 -6.560 3.159 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.952 -7.855 2.662 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.207 -6.185 2.667 1.00 0.00 C ATOM 0 H THR A 101 11.474 -6.455 1.027 1.00 0.00 H new ATOM 0 HA THR A 101 10.235 -4.518 2.867 1.00 0.00 H new ATOM 0 HB THR A 101 9.586 -6.581 4.249 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.136 -8.455 3.415 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.489 -6.935 2.999 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.928 -5.212 3.071 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.207 -6.139 1.578 1.00 0.00 H new ATOM 1658 N ASP A 102 11.757 -5.634 4.853 1.00 0.00 N ATOM 1659 CA ASP A 102 12.891 -5.785 5.758 1.00 0.00 C ATOM 1660 C ASP A 102 13.283 -7.253 5.897 1.00 0.00 C ATOM 1661 O ASP A 102 14.465 -7.596 5.877 1.00 0.00 O ATOM 1662 CB ASP A 102 12.556 -5.201 7.131 1.00 0.00 C ATOM 1663 CG ASP A 102 12.798 -3.706 7.199 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.160 -2.966 6.422 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.627 -3.276 8.029 1.00 0.00 O ATOM 0 H ASP A 102 10.862 -5.485 5.319 1.00 0.00 H new ATOM 0 HA ASP A 102 13.736 -5.240 5.337 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.512 -5.408 7.366 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.158 -5.699 7.891 1.00 0.00 H new ATOM 1670 N THR A 103 12.282 -8.117 6.040 1.00 0.00 N ATOM 1671 CA THR A 103 12.522 -9.547 6.185 1.00 0.00 C ATOM 1672 C THR A 103 11.454 -10.360 5.463 1.00 0.00 C ATOM 1673 O THR A 103 10.540 -9.802 4.856 1.00 0.00 O ATOM 1674 CB THR A 103 12.553 -9.964 7.668 1.00 0.00 C ATOM 1675 OG1 THR A 103 12.679 -11.386 7.774 1.00 0.00 O ATOM 1676 CG2 THR A 103 11.293 -9.505 8.385 1.00 0.00 C ATOM 0 H THR A 103 11.298 -7.851 6.058 1.00 0.00 H new ATOM 0 HA THR A 103 13.495 -9.751 5.737 1.00 0.00 H new ATOM 0 HB THR A 103 13.413 -9.488 8.139 1.00 0.00 H new ATOM 0 HG1 THR A 103 12.700 -11.643 8.719 1.00 0.00 H new ATOM 0 HG21 THR A 103 11.337 -9.811 9.430 1.00 0.00 H new ATOM 0 HG22 THR A 103 11.217 -8.419 8.327 1.00 0.00 H new ATOM 0 HG23 THR A 103 10.421 -9.956 7.912 1.00 0.00 H new ATOM 1684 N GLY A 104 11.574 -11.682 5.534 1.00 0.00 N ATOM 1685 CA GLY A 104 10.610 -12.550 4.882 1.00 0.00 C ATOM 1686 C GLY A 104 9.192 -12.299 5.354 1.00 0.00 C ATOM 1687 O GLY A 104 8.254 -12.302 4.556 1.00 0.00 O ATOM 0 H GLY A 104 12.321 -12.167 6.031 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.662 -12.401 3.804 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.875 -13.590 5.073 1.00 0.00 H new ATOM 1691 N LYS A 105 9.032 -12.084 6.655 1.00 0.00 N ATOM 1692 CA LYS A 105 7.718 -11.831 7.234 1.00 0.00 C ATOM 1693 C LYS A 105 7.052 -10.632 6.567 1.00 0.00 C ATOM 1694 O LYS A 105 6.019 -10.770 5.912 1.00 0.00 O ATOM 1695 CB LYS A 105 7.840 -11.587 8.740 1.00 0.00 C ATOM 1696 CG LYS A 105 6.517 -11.264 9.413 1.00 0.00 C ATOM 1697 CD LYS A 105 6.191 -9.783 9.321 1.00 0.00 C ATOM 1698 CE LYS A 105 5.354 -9.322 10.504 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.570 -7.881 10.808 1.00 0.00 N ATOM 0 H LYS A 105 9.797 -12.080 7.329 1.00 0.00 H new ATOM 0 HA LYS A 105 7.098 -12.711 7.064 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.270 -12.472 9.209 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.535 -10.765 8.911 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.720 -11.843 8.946 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.558 -11.564 10.460 1.00 0.00 H new ATOM 0 HD2 LYS A 105 7.116 -9.208 9.282 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.653 -9.585 8.394 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.299 -9.494 10.291 1.00 0.00 H new ATOM 0 HE3 LYS A 105 5.604 -9.920 11.381 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 4.982 -7.606 11.620 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 6.572 -7.721 11.036 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.307 -7.308 9.980 1.00 0.00 H new ATOM 1713 N GLU A 106 7.651 -9.457 6.737 1.00 0.00 N ATOM 1714 CA GLU A 106 7.114 -8.235 6.149 1.00 0.00 C ATOM 1715 C GLU A 106 6.739 -8.453 4.687 1.00 0.00 C ATOM 1716 O GLU A 106 5.946 -7.702 4.120 1.00 0.00 O ATOM 1717 CB GLU A 106 8.133 -7.099 6.262 1.00 0.00 C ATOM 1718 CG GLU A 106 8.235 -6.509 7.659 1.00 0.00 C ATOM 1719 CD GLU A 106 8.665 -5.055 7.648 1.00 0.00 C ATOM 1720 OE1 GLU A 106 9.143 -4.585 6.595 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.524 -4.388 8.694 1.00 0.00 O ATOM 0 H GLU A 106 8.507 -9.326 7.276 1.00 0.00 H new ATOM 0 HA GLU A 106 6.213 -7.963 6.699 1.00 0.00 H new ATOM 0 HB2 GLU A 106 9.113 -7.470 5.961 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.862 -6.309 5.562 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.269 -6.595 8.157 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.948 -7.090 8.244 1.00 0.00 H new ATOM 1728 N MET A 107 7.316 -9.487 4.082 1.00 0.00 N ATOM 1729 CA MET A 107 7.042 -9.805 2.685 1.00 0.00 C ATOM 1730 C MET A 107 5.834 -10.729 2.565 1.00 0.00 C ATOM 1731 O MET A 107 4.989 -10.549 1.688 1.00 0.00 O ATOM 1732 CB MET A 107 8.265 -10.458 2.039 1.00 0.00 C ATOM 1733 CG MET A 107 7.941 -11.237 0.775 1.00 0.00 C ATOM 1734 SD MET A 107 9.372 -11.436 -0.304 1.00 0.00 S ATOM 1735 CE MET A 107 9.415 -13.218 -0.484 1.00 0.00 C ATOM 0 H MET A 107 7.976 -10.118 4.537 1.00 0.00 H new ATOM 0 HA MET A 107 6.819 -8.874 2.163 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.997 -9.686 1.802 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.732 -11.129 2.760 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.557 -12.220 1.047 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.148 -10.724 0.230 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.249 -13.499 -1.127 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.540 -13.680 0.495 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.482 -13.561 -0.930 1.00 0.00 H new ATOM 1745 N GLU A 108 5.760 -11.717 3.451 1.00 0.00 N ATOM 1746 CA GLU A 108 4.656 -12.669 3.442 1.00 0.00 C ATOM 1747 C GLU A 108 3.326 -11.963 3.692 1.00 0.00 C ATOM 1748 O GLU A 108 2.294 -12.343 3.138 1.00 0.00 O ATOM 1749 CB GLU A 108 4.878 -13.752 4.500 1.00 0.00 C ATOM 1750 CG GLU A 108 4.274 -13.414 5.853 1.00 0.00 C ATOM 1751 CD GLU A 108 4.400 -14.551 6.848 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.509 -15.113 6.967 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.392 -14.877 7.508 1.00 0.00 O ATOM 0 H GLU A 108 6.451 -11.879 4.184 1.00 0.00 H new ATOM 0 HA GLU A 108 4.621 -13.135 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.450 -14.689 4.144 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.949 -13.916 4.620 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.765 -12.528 6.255 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.221 -13.164 5.724 1.00 0.00 H new ATOM 1760 N LEU A 109 3.359 -10.934 4.531 1.00 0.00 N ATOM 1761 CA LEU A 109 2.157 -10.173 4.856 1.00 0.00 C ATOM 1762 C LEU A 109 1.622 -9.448 3.626 1.00 0.00 C ATOM 1763 O LEU A 109 0.414 -9.408 3.393 1.00 0.00 O ATOM 1764 CB LEU A 109 2.453 -9.166 5.968 1.00 0.00 C ATOM 1765 CG LEU A 109 2.967 -9.750 7.284 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.013 -8.679 8.363 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.097 -10.918 7.726 1.00 0.00 C ATOM 0 H LEU A 109 4.204 -10.607 4.999 1.00 0.00 H new ATOM 0 HA LEU A 109 1.396 -10.873 5.201 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.190 -8.453 5.598 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.542 -8.605 6.174 1.00 0.00 H new ATOM 0 HG LEU A 109 3.980 -10.118 7.124 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.381 -9.114 9.292 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.679 -7.875 8.050 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.011 -8.279 8.522 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.478 -11.321 8.664 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.072 -10.575 7.868 1.00 0.00 H new ATOM 0 HD23 LEU A 109 2.117 -11.696 6.963 1.00 0.00 H new ATOM 1779 N TRP A 110 2.529 -8.877 2.842 1.00 0.00 N ATOM 1780 CA TRP A 110 2.148 -8.154 1.633 1.00 0.00 C ATOM 1781 C TRP A 110 1.768 -9.121 0.518 1.00 0.00 C ATOM 1782 O TRP A 110 0.703 -8.997 -0.087 1.00 0.00 O ATOM 1783 CB TRP A 110 3.293 -7.250 1.173 1.00 0.00 C ATOM 1784 CG TRP A 110 3.246 -5.878 1.775 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.223 -5.273 2.513 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.165 -4.943 1.692 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.815 -4.018 2.894 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.557 -3.791 2.402 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.907 -4.965 1.085 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.732 -2.675 2.521 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.090 -3.857 1.205 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.505 -2.724 1.917 1.00 0.00 C ATOM 0 H TRP A 110 3.533 -8.900 3.021 1.00 0.00 H new ATOM 0 HA TRP A 110 1.279 -7.538 1.866 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.243 -7.719 1.430 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.264 -7.163 0.087 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.176 -5.716 2.761 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.360 -3.362 3.453 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.579 -5.833 0.532 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.050 -1.801 3.071 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.886 -3.865 0.742 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.156 -1.873 1.991 1.00 0.00 H new ATOM 1803 N MET A 111 2.644 -10.085 0.251 1.00 0.00 N ATOM 1804 CA MET A 111 2.397 -11.074 -0.792 1.00 0.00 C ATOM 1805 C MET A 111 1.088 -11.815 -0.539 1.00 0.00 C ATOM 1806 O MET A 111 0.178 -11.789 -1.368 1.00 0.00 O ATOM 1807 CB MET A 111 3.556 -12.070 -0.864 1.00 0.00 C ATOM 1808 CG MET A 111 4.821 -11.488 -1.472 1.00 0.00 C ATOM 1809 SD MET A 111 4.662 -11.179 -3.242 1.00 0.00 S ATOM 1810 CE MET A 111 5.790 -12.404 -3.902 1.00 0.00 C ATOM 0 H MET A 111 3.530 -10.202 0.742 1.00 0.00 H new ATOM 0 HA MET A 111 2.318 -10.550 -1.745 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.778 -12.430 0.141 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.245 -12.935 -1.451 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.067 -10.555 -0.965 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.651 -12.173 -1.300 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.134 -12.089 -4.887 1.00 0.00 H new ATOM 0 HE2 MET A 111 6.646 -12.507 -3.235 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.278 -13.362 -3.986 1.00 0.00 H new ATOM 1820 N LYS A 112 1.000 -12.476 0.610 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.198 -13.225 0.973 1.00 0.00 C ATOM 1822 C LYS A 112 -1.456 -12.489 0.522 1.00 0.00 C ATOM 1823 O LYS A 112 -2.400 -13.103 0.025 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.242 -13.454 2.485 1.00 0.00 C ATOM 1825 CG LYS A 112 0.692 -14.553 2.961 1.00 0.00 C ATOM 1826 CD LYS A 112 0.164 -15.930 2.595 1.00 0.00 C ATOM 1827 CE LYS A 112 0.628 -16.987 3.586 1.00 0.00 C ATOM 1828 NZ LYS A 112 2.073 -17.308 3.418 1.00 0.00 N ATOM 0 H LYS A 112 1.744 -12.509 1.307 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.161 -14.190 0.467 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.016 -12.524 2.992 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.262 -13.704 2.777 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.678 -14.411 2.519 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.815 -14.485 4.042 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.925 -15.908 2.569 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.502 -16.196 1.593 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.450 -16.635 4.602 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.037 -17.893 3.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.351 -18.032 4.111 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 2.239 -17.668 2.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 2.639 -16.449 3.569 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.461 -11.172 0.699 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.602 -10.354 0.307 1.00 0.00 C ATOM 1844 C ALA A 113 -2.550 -10.016 -1.179 1.00 0.00 C ATOM 1845 O ALA A 113 -3.403 -10.449 -1.953 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.648 -9.081 1.139 1.00 0.00 C ATOM 0 H ALA A 113 -0.688 -10.649 1.111 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.510 -10.928 0.490 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.505 -8.479 0.836 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.741 -9.339 2.194 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.732 -8.512 0.984 1.00 0.00 H new ATOM 1852 N MET A 114 -1.546 -9.238 -1.570 1.00 0.00 N ATOM 1853 CA MET A 114 -1.384 -8.843 -2.964 1.00 0.00 C ATOM 1854 C MET A 114 -1.834 -9.959 -3.902 1.00 0.00 C ATOM 1855 O MET A 114 -2.700 -9.755 -4.754 1.00 0.00 O ATOM 1856 CB MET A 114 0.076 -8.481 -3.247 1.00 0.00 C ATOM 1857 CG MET A 114 0.509 -7.167 -2.618 1.00 0.00 C ATOM 1858 SD MET A 114 2.018 -6.509 -3.353 1.00 0.00 S ATOM 1859 CE MET A 114 2.606 -5.452 -2.031 1.00 0.00 C ATOM 0 H MET A 114 -0.833 -8.869 -0.941 1.00 0.00 H new ATOM 0 HA MET A 114 -2.010 -7.968 -3.143 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.718 -9.280 -2.877 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.225 -8.425 -4.325 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.292 -6.436 -2.726 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.664 -7.314 -1.549 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.679 -5.593 -1.903 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.404 -4.410 -2.281 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.093 -5.709 -1.104 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.242 -11.137 -3.739 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.582 -12.285 -4.572 1.00 0.00 C ATOM 1871 C LEU A 115 -3.090 -12.515 -4.593 1.00 0.00 C ATOM 1872 O LEU A 115 -3.669 -12.808 -5.639 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.871 -13.539 -4.061 1.00 0.00 C ATOM 1874 CG LEU A 115 0.518 -13.807 -4.642 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.452 -13.901 -6.159 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.494 -12.721 -4.215 1.00 0.00 C ATOM 0 H LEU A 115 -0.525 -11.322 -3.038 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.251 -12.076 -5.589 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.781 -13.465 -2.977 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.503 -14.402 -4.271 1.00 0.00 H new ATOM 0 HG LEU A 115 0.875 -14.761 -4.254 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.449 -14.092 -6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.214 -14.715 -6.444 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.073 -12.963 -6.566 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.477 -12.928 -4.638 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.142 -11.754 -4.573 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.564 -12.702 -3.127 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.720 -12.378 -3.431 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.161 -12.568 -3.316 1.00 0.00 C ATOM 1890 C ASP A 116 -5.911 -11.605 -4.232 1.00 0.00 C ATOM 1891 O ASP A 116 -7.023 -11.892 -4.674 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.610 -12.366 -1.868 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.832 -13.193 -1.519 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.635 -13.479 -2.432 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.984 -13.555 -0.334 1.00 0.00 O ATOM 0 H ASP A 116 -3.255 -12.136 -2.556 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.393 -13.588 -3.622 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.793 -12.630 -1.197 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.830 -11.311 -1.703 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.294 -10.462 -4.513 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.902 -9.458 -5.376 1.00 0.00 C ATOM 1902 C ALA A 117 -5.502 -9.671 -6.832 1.00 0.00 C ATOM 1903 O ALA A 117 -6.341 -9.615 -7.731 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.509 -8.061 -4.919 1.00 0.00 C ATOM 0 H ALA A 117 -4.373 -10.209 -4.155 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.985 -9.561 -5.304 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.970 -7.321 -5.573 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.850 -7.904 -3.896 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.425 -7.956 -4.961 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.216 -9.917 -7.058 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.705 -10.140 -8.405 1.00 0.00 C ATOM 1912 C ALA A 118 -4.346 -11.371 -9.038 1.00 0.00 C ATOM 1913 O ALA A 118 -4.876 -11.306 -10.148 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.191 -10.286 -8.379 1.00 0.00 C ATOM 0 H ALA A 118 -3.508 -9.967 -6.325 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.964 -9.273 -9.013 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.824 -10.452 -9.392 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.745 -9.377 -7.976 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.918 -11.134 -7.751 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.294 -12.491 -8.326 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.870 -13.738 -8.818 1.00 0.00 C ATOM 1922 C LEU A 119 -6.160 -13.475 -9.588 1.00 0.00 C ATOM 1923 O LEU A 119 -6.486 -14.190 -10.536 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.143 -14.691 -7.654 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.462 -14.483 -6.910 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.575 -15.290 -7.561 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.314 -14.861 -5.444 1.00 0.00 C ATOM 0 H LEU A 119 -3.859 -12.562 -7.406 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.151 -14.199 -9.496 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.121 -15.712 -8.034 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.327 -14.600 -6.937 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.726 -13.427 -6.967 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.506 -15.129 -7.018 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.699 -14.971 -8.596 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.319 -16.349 -7.537 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.263 -14.706 -4.931 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.026 -15.909 -5.366 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.547 -14.239 -4.983 1.00 0.00 H new