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 91 HIS : no HD1:sc= -8.17! C(o=-9.1!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -172:sc= -0.982 (180deg=-0.229) USER MOD Single : A 28 TYR OH : rot -167:sc= 0.0241 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 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 7:sc= 0.723 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 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=0.000456 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) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -134:sc= 0 (180deg=-0.63) USER MOD Single : A 93 ASN : amide:sc= -0.0205 X(o=-0.021,f=-0.26) 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 -100:sc= 0.747 USER MOD Single : A 101 THR OG1 : rot 116:sc= -0.0127 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 107 MET CE :methyl -161:sc= 0 (180deg=-0.665) USER MOD Single : A 111 MET CE :methyl 139:sc= -0.513 (180deg=-2.13) USER MOD Single : A 112 LYS NZ :NH3+ 174:sc= 0 (180deg=-0.0242) USER MOD Single : A 114 MET CE :methyl 165:sc= -1.77 (180deg=-2.04!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.336 -3.602 4.697 1.00 0.00 N ATOM 266 CA PRO A 20 -12.310 -4.050 5.643 1.00 0.00 C ATOM 267 C PRO A 20 -10.916 -4.061 5.026 1.00 0.00 C ATOM 268 O PRO A 20 -10.700 -4.651 3.967 1.00 0.00 O ATOM 269 CB PRO A 20 -12.750 -5.473 5.996 1.00 0.00 C ATOM 270 CG PRO A 20 -14.229 -5.469 5.812 1.00 0.00 C ATOM 271 CD PRO A 20 -14.536 -4.453 4.733 1.00 0.00 C ATOM 0 HA PRO A 20 -12.233 -3.387 6.504 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.272 -6.207 5.347 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.479 -5.728 7.020 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.585 -6.458 5.523 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.733 -5.208 6.743 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.714 -4.933 3.771 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.429 -3.875 4.971 1.00 0.00 H new ATOM 279 N VAL A 21 -9.972 -3.406 5.694 1.00 0.00 N ATOM 280 CA VAL A 21 -8.598 -3.343 5.211 1.00 0.00 C ATOM 281 C VAL A 21 -7.815 -4.586 5.617 1.00 0.00 C ATOM 282 O VAL A 21 -7.853 -5.008 6.773 1.00 0.00 O ATOM 283 CB VAL A 21 -7.872 -2.094 5.748 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.427 -2.072 5.273 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.601 -0.830 5.320 1.00 0.00 C ATOM 0 H VAL A 21 -10.134 -2.911 6.571 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.647 -3.287 4.124 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.871 -2.135 6.837 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -5.930 -1.183 5.662 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.912 -2.963 5.633 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.402 -2.054 4.183 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.075 0.042 5.708 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.634 -0.780 4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.617 -0.845 5.713 1.00 0.00 H new ATOM 295 N VAL A 22 -7.103 -5.170 4.658 1.00 0.00 N ATOM 296 CA VAL A 22 -6.308 -6.365 4.915 1.00 0.00 C ATOM 297 C VAL A 22 -5.083 -6.038 5.762 1.00 0.00 C ATOM 298 O VAL A 22 -4.798 -6.720 6.748 1.00 0.00 O ATOM 299 CB VAL A 22 -5.849 -7.027 3.602 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.049 -8.288 3.891 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.046 -7.336 2.715 1.00 0.00 C ATOM 0 H VAL A 22 -7.061 -4.835 3.696 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.948 -7.060 5.459 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.202 -6.329 3.070 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.733 -8.742 2.952 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.171 -8.034 4.484 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.669 -8.993 4.444 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.704 -7.803 1.792 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.720 -8.015 3.237 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.573 -6.411 2.480 1.00 0.00 H new ATOM 311 N ARG A 23 -4.363 -4.992 5.373 1.00 0.00 N ATOM 312 CA ARG A 23 -3.168 -4.575 6.096 1.00 0.00 C ATOM 313 C ARG A 23 -2.633 -3.255 5.548 1.00 0.00 C ATOM 314 O ARG A 23 -2.669 -3.013 4.342 1.00 0.00 O ATOM 315 CB ARG A 23 -2.087 -5.654 6.003 1.00 0.00 C ATOM 316 CG ARG A 23 -0.835 -5.333 6.803 1.00 0.00 C ATOM 317 CD ARG A 23 -0.994 -5.722 8.265 1.00 0.00 C ATOM 318 NE ARG A 23 -1.246 -7.151 8.427 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.479 -7.727 9.601 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.492 -7.000 10.710 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.700 -9.034 9.668 1.00 0.00 N ATOM 0 H ARG A 23 -4.586 -4.417 4.561 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.439 -4.431 7.142 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.499 -6.600 6.354 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.814 -5.793 4.957 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.017 -5.861 6.375 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.618 -4.267 6.730 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.092 -5.449 8.813 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -1.817 -5.157 8.703 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.243 -7.739 7.593 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.323 -5.995 10.663 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.671 -7.446 11.610 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -1.691 -9.597 8.818 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.879 -9.475 10.570 1.00 0.00 H new ATOM 335 N ARG A 24 -2.138 -2.406 6.443 1.00 0.00 N ATOM 336 CA ARG A 24 -1.598 -1.111 6.049 1.00 0.00 C ATOM 337 C ARG A 24 -0.250 -0.858 6.718 1.00 0.00 C ATOM 338 O ARG A 24 -0.152 -0.814 7.944 1.00 0.00 O ATOM 339 CB ARG A 24 -2.577 0.006 6.414 1.00 0.00 C ATOM 340 CG ARG A 24 -3.014 -0.018 7.870 1.00 0.00 C ATOM 341 CD ARG A 24 -4.176 0.931 8.119 1.00 0.00 C ATOM 342 NE ARG A 24 -4.721 0.788 9.466 1.00 0.00 N ATOM 343 CZ ARG A 24 -5.902 1.270 9.836 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.658 1.922 8.965 1.00 0.00 N ATOM 345 NH2 ARG A 24 -6.329 1.099 11.081 1.00 0.00 N ATOM 0 H ARG A 24 -2.100 -2.592 7.445 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.453 -1.120 4.969 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.113 0.969 6.199 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.458 -0.073 5.778 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.305 -1.031 8.147 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.174 0.258 8.508 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.843 1.958 7.970 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.962 0.741 7.388 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.164 0.291 10.161 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.334 2.055 8.007 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -7.565 2.291 9.252 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -5.750 0.597 11.754 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -7.236 1.469 11.364 1.00 0.00 H new ATOM 359 N GLY A 25 0.788 -0.693 5.903 1.00 0.00 N ATOM 360 CA GLY A 25 2.116 -0.448 6.433 1.00 0.00 C ATOM 361 C GLY A 25 3.020 0.247 5.434 1.00 0.00 C ATOM 362 O GLY A 25 2.945 -0.014 4.234 1.00 0.00 O ATOM 0 H GLY A 25 0.732 -0.725 4.885 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.038 0.162 7.333 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.567 -1.396 6.728 1.00 0.00 H new ATOM 366 N TRP A 26 3.875 1.134 5.930 1.00 0.00 N ATOM 367 CA TRP A 26 4.796 1.869 5.071 1.00 0.00 C ATOM 368 C TRP A 26 5.635 0.915 4.228 1.00 0.00 C ATOM 369 O TRP A 26 6.627 0.360 4.702 1.00 0.00 O ATOM 370 CB TRP A 26 5.710 2.761 5.914 1.00 0.00 C ATOM 371 CG TRP A 26 4.990 3.908 6.558 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.365 3.904 7.772 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.821 5.224 6.021 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.817 5.139 8.022 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.083 5.967 6.964 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.222 5.848 4.837 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.739 7.300 6.756 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.879 7.171 4.632 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.145 7.886 5.588 1.00 0.00 C ATOM 0 H TRP A 26 3.950 1.362 6.921 1.00 0.00 H new ATOM 0 HA TRP A 26 4.206 2.494 4.400 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.182 2.157 6.689 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.509 3.151 5.283 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.310 3.055 8.438 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.296 5.397 8.860 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.790 5.306 4.095 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.172 7.852 7.491 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.182 7.662 3.719 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.895 8.920 5.399 1.00 0.00 H new ATOM 390 N LEU A 27 5.231 0.728 2.976 1.00 0.00 N ATOM 391 CA LEU A 27 5.946 -0.160 2.067 1.00 0.00 C ATOM 392 C LEU A 27 6.922 0.624 1.195 1.00 0.00 C ATOM 393 O LEU A 27 6.791 1.838 1.036 1.00 0.00 O ATOM 394 CB LEU A 27 4.957 -0.923 1.184 1.00 0.00 C ATOM 395 CG LEU A 27 5.564 -1.948 0.225 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.240 -3.068 0.999 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.496 -2.507 -0.704 1.00 0.00 C ATOM 0 H LEU A 27 4.412 1.179 2.568 1.00 0.00 H new ATOM 0 HA LEU A 27 6.513 -0.872 2.666 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.246 -1.437 1.830 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.390 -0.199 0.599 1.00 0.00 H new ATOM 0 HG LEU A 27 6.319 -1.447 -0.382 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.666 -3.788 0.300 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.033 -2.653 1.621 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.506 -3.567 1.632 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.946 -3.235 -1.379 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.718 -2.992 -0.114 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.058 -1.695 -1.285 1.00 0.00 H new ATOM 409 N TYR A 28 7.899 -0.078 0.631 1.00 0.00 N ATOM 410 CA TYR A 28 8.897 0.552 -0.224 1.00 0.00 C ATOM 411 C TYR A 28 8.734 0.104 -1.673 1.00 0.00 C ATOM 412 O TYR A 28 8.452 -1.063 -1.947 1.00 0.00 O ATOM 413 CB TYR A 28 10.306 0.219 0.269 1.00 0.00 C ATOM 414 CG TYR A 28 10.431 0.198 1.776 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.436 1.378 2.509 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.542 -1.003 2.466 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.551 1.363 3.885 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.656 -1.028 3.843 1.00 0.00 C ATOM 419 CZ TYR A 28 10.660 0.158 4.548 1.00 0.00 C ATOM 420 OH TYR A 28 10.773 0.139 5.919 1.00 0.00 O ATOM 0 H TYR A 28 8.021 -1.084 0.751 1.00 0.00 H new ATOM 0 HA TYR A 28 8.749 1.631 -0.177 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.599 -0.754 -0.125 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.006 0.951 -0.135 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.348 2.323 1.994 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.539 -1.933 1.917 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.556 2.290 4.439 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.741 -1.970 4.364 1.00 0.00 H new ATOM 0 HH TYR A 28 11.045 -0.756 6.212 1.00 0.00 H new ATOM 430 N LYS A 29 8.914 1.039 -2.599 1.00 0.00 N ATOM 431 CA LYS A 29 8.790 0.743 -4.022 1.00 0.00 C ATOM 432 C LYS A 29 9.960 1.330 -4.804 1.00 0.00 C ATOM 433 O LYS A 29 10.513 2.363 -4.429 1.00 0.00 O ATOM 434 CB LYS A 29 7.471 1.297 -4.565 1.00 0.00 C ATOM 435 CG LYS A 29 6.942 0.536 -5.769 1.00 0.00 C ATOM 436 CD LYS A 29 5.972 1.379 -6.580 1.00 0.00 C ATOM 437 CE LYS A 29 4.752 1.768 -5.760 1.00 0.00 C ATOM 438 NZ LYS A 29 4.219 3.101 -6.156 1.00 0.00 N ATOM 0 H LYS A 29 9.147 2.010 -2.390 1.00 0.00 H new ATOM 0 HA LYS A 29 8.801 -0.340 -4.145 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.723 1.273 -3.773 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.611 2.343 -4.839 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.775 0.229 -6.401 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.443 -0.374 -5.435 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.477 2.278 -6.933 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.656 0.824 -7.463 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.975 1.014 -5.886 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.015 1.782 -4.702 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.388 3.330 -5.574 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.952 3.825 -6.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.944 3.081 -7.159 1.00 0.00 H new ATOM 571 N TRP A 38 14.488 3.144 -3.359 1.00 0.00 N ATOM 572 CA TRP A 38 13.225 2.794 -2.720 1.00 0.00 C ATOM 573 C TRP A 38 12.721 3.937 -1.846 1.00 0.00 C ATOM 574 O TRP A 38 13.465 4.483 -1.031 1.00 0.00 O ATOM 575 CB TRP A 38 13.389 1.527 -1.879 1.00 0.00 C ATOM 576 CG TRP A 38 13.975 0.378 -2.644 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.300 0.125 -2.855 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.254 -0.671 -3.299 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.447 -1.018 -3.603 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.207 -1.526 -3.887 1.00 0.00 C ATOM 581 CE3 TRP A 38 11.897 -0.973 -3.445 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.843 -2.660 -4.609 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.539 -2.098 -4.163 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.508 -2.931 -4.737 1.00 0.00 C ATOM 0 HA TRP A 38 12.490 2.609 -3.503 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.027 1.748 -1.023 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.416 1.233 -1.484 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.113 0.734 -2.488 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.335 -1.423 -3.899 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.142 -0.339 -3.005 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.589 -3.303 -5.052 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.493 -2.339 -4.284 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.195 -3.804 -5.291 1.00 0.00 H new ATOM 595 N LYS A 39 11.453 4.295 -2.021 1.00 0.00 N ATOM 596 CA LYS A 39 10.849 5.373 -1.247 1.00 0.00 C ATOM 597 C LYS A 39 9.832 4.824 -0.252 1.00 0.00 C ATOM 598 O LYS A 39 9.158 3.830 -0.522 1.00 0.00 O ATOM 599 CB LYS A 39 10.173 6.381 -2.180 1.00 0.00 C ATOM 600 CG LYS A 39 11.149 7.313 -2.878 1.00 0.00 C ATOM 601 CD LYS A 39 11.770 6.655 -4.100 1.00 0.00 C ATOM 602 CE LYS A 39 12.427 7.681 -5.011 1.00 0.00 C ATOM 603 NZ LYS A 39 13.058 7.043 -6.199 1.00 0.00 N ATOM 0 H LYS A 39 10.824 3.854 -2.692 1.00 0.00 H new ATOM 0 HA LYS A 39 11.640 5.876 -0.691 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.600 5.839 -2.932 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.463 6.976 -1.605 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.632 8.225 -3.177 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.935 7.606 -2.182 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.511 5.921 -3.783 1.00 0.00 H new ATOM 0 HD3 LYS A 39 11.002 6.114 -4.653 1.00 0.00 H new ATOM 0 HE2 LYS A 39 11.681 8.405 -5.340 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.182 8.233 -4.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.495 7.775 -6.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.787 6.371 -5.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.333 6.537 -6.747 1.00 0.00 H new ATOM 617 N LYS A 40 9.724 5.479 0.899 1.00 0.00 N ATOM 618 CA LYS A 40 8.787 5.059 1.934 1.00 0.00 C ATOM 619 C LYS A 40 7.466 5.811 1.809 1.00 0.00 C ATOM 620 O LYS A 40 7.431 7.039 1.876 1.00 0.00 O ATOM 621 CB LYS A 40 9.390 5.293 3.321 1.00 0.00 C ATOM 622 CG LYS A 40 8.562 4.705 4.451 1.00 0.00 C ATOM 623 CD LYS A 40 9.370 4.585 5.732 1.00 0.00 C ATOM 624 CE LYS A 40 8.519 4.071 6.882 1.00 0.00 C ATOM 625 NZ LYS A 40 9.045 4.515 8.203 1.00 0.00 N ATOM 0 H LYS A 40 10.274 6.304 1.139 1.00 0.00 H new ATOM 0 HA LYS A 40 8.593 3.994 1.804 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.390 4.860 3.351 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.502 6.365 3.483 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.689 5.333 4.628 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.193 3.722 4.159 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.211 3.911 5.571 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.787 5.558 5.993 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.495 4.424 6.762 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.487 2.982 6.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.437 4.144 8.961 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.013 4.157 8.329 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.052 5.554 8.242 1.00 0.00 H new ATOM 639 N ARG A 41 6.381 5.065 1.628 1.00 0.00 N ATOM 640 CA ARG A 41 5.057 5.661 1.494 1.00 0.00 C ATOM 641 C ARG A 41 4.011 4.836 2.239 1.00 0.00 C ATOM 642 O ARG A 41 4.205 3.645 2.482 1.00 0.00 O ATOM 643 CB ARG A 41 4.674 5.778 0.018 1.00 0.00 C ATOM 644 CG ARG A 41 5.160 7.060 -0.638 1.00 0.00 C ATOM 645 CD ARG A 41 4.131 8.173 -0.515 1.00 0.00 C ATOM 646 NE ARG A 41 4.302 9.192 -1.547 1.00 0.00 N ATOM 647 CZ ARG A 41 5.185 10.181 -1.464 1.00 0.00 C ATOM 648 NH1 ARG A 41 5.974 10.282 -0.403 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.282 11.070 -2.444 1.00 0.00 N ATOM 0 H ARG A 41 6.393 4.047 1.571 1.00 0.00 H new ATOM 0 HA ARG A 41 5.089 6.658 1.934 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.083 4.925 -0.523 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.589 5.722 -0.073 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.095 7.375 -0.175 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.372 6.874 -1.691 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.129 7.750 -0.586 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.213 8.636 0.469 1.00 0.00 H new ATOM 0 HE ARG A 41 3.711 9.142 -2.377 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.904 9.599 0.352 1.00 0.00 H new ATOM 0 HH12 ARG A 41 6.651 11.042 -0.342 1.00 0.00 H new ATOM 0 HH21 ARG A 41 4.678 10.995 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 41 5.960 11.829 -2.379 1.00 0.00 H new ATOM 663 N TRP A 42 2.905 5.477 2.597 1.00 0.00 N ATOM 664 CA TRP A 42 1.829 4.802 3.314 1.00 0.00 C ATOM 665 C TRP A 42 0.955 4.001 2.356 1.00 0.00 C ATOM 666 O TRP A 42 0.147 4.566 1.618 1.00 0.00 O ATOM 667 CB TRP A 42 0.976 5.821 4.071 1.00 0.00 C ATOM 668 CG TRP A 42 -0.015 5.191 5.003 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.357 5.436 5.059 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.259 4.213 6.012 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.934 4.669 6.043 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.964 3.910 6.641 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.418 3.563 6.444 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -1.058 2.986 7.679 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.323 2.647 7.474 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.093 2.365 8.082 1.00 0.00 C ATOM 0 H TRP A 42 2.729 6.463 2.403 1.00 0.00 H new ATOM 0 HA TRP A 42 2.279 4.112 4.028 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.631 6.481 4.640 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.443 6.443 3.352 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.887 6.130 4.424 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.924 4.666 6.288 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.371 3.773 5.981 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -2.005 2.767 8.149 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.213 2.139 7.816 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.052 1.643 8.885 1.00 0.00 H new ATOM 687 N PHE A 43 1.121 2.683 2.372 1.00 0.00 N ATOM 688 CA PHE A 43 0.346 1.804 1.503 1.00 0.00 C ATOM 689 C PHE A 43 -0.739 1.078 2.291 1.00 0.00 C ATOM 690 O PHE A 43 -0.528 0.678 3.436 1.00 0.00 O ATOM 691 CB PHE A 43 1.264 0.787 0.822 1.00 0.00 C ATOM 692 CG PHE A 43 1.958 1.326 -0.397 1.00 0.00 C ATOM 693 CD1 PHE A 43 1.372 1.217 -1.648 1.00 0.00 C ATOM 694 CD2 PHE A 43 3.194 1.943 -0.291 1.00 0.00 C ATOM 695 CE1 PHE A 43 2.008 1.712 -2.771 1.00 0.00 C ATOM 696 CE2 PHE A 43 3.835 2.440 -1.410 1.00 0.00 C ATOM 697 CZ PHE A 43 3.241 2.325 -2.651 1.00 0.00 C ATOM 0 H PHE A 43 1.785 2.200 2.977 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.133 2.419 0.741 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.014 0.450 1.538 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.678 -0.087 0.539 1.00 0.00 H new ATOM 0 HD1 PHE A 43 0.408 0.740 -1.747 1.00 0.00 H new ATOM 0 HD2 PHE A 43 3.662 2.037 0.678 1.00 0.00 H new ATOM 0 HE1 PHE A 43 1.542 1.620 -3.741 1.00 0.00 H new ATOM 0 HE2 PHE A 43 4.799 2.918 -1.314 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.739 2.714 -3.527 1.00 0.00 H new ATOM 707 N VAL A 44 -1.903 0.913 1.671 1.00 0.00 N ATOM 708 CA VAL A 44 -3.023 0.235 2.313 1.00 0.00 C ATOM 709 C VAL A 44 -3.649 -0.797 1.381 1.00 0.00 C ATOM 710 O VAL A 44 -4.056 -0.475 0.264 1.00 0.00 O ATOM 711 CB VAL A 44 -4.107 1.236 2.754 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.352 0.502 3.227 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.573 2.153 3.844 1.00 0.00 C ATOM 0 H VAL A 44 -2.095 1.240 0.724 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.625 -0.269 3.193 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.381 1.850 1.896 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.106 1.226 3.534 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.745 -0.109 2.414 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.098 -0.138 4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.352 2.854 4.144 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.270 1.557 4.705 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.713 2.706 3.465 1.00 0.00 H new ATOM 723 N LEU A 45 -3.723 -2.039 1.847 1.00 0.00 N ATOM 724 CA LEU A 45 -4.300 -3.120 1.056 1.00 0.00 C ATOM 725 C LEU A 45 -5.764 -3.342 1.423 1.00 0.00 C ATOM 726 O LEU A 45 -6.071 -3.939 2.454 1.00 0.00 O ATOM 727 CB LEU A 45 -3.508 -4.411 1.266 1.00 0.00 C ATOM 728 CG LEU A 45 -3.517 -5.401 0.101 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.834 -6.160 0.055 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.270 -4.678 -1.216 1.00 0.00 C ATOM 0 H LEU A 45 -3.391 -2.322 2.769 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.247 -2.836 0.005 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.473 -4.147 1.484 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -3.902 -4.916 2.148 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.712 -6.120 0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.822 -6.860 -0.781 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -4.970 -6.709 0.986 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.656 -5.455 -0.074 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.280 -5.398 -2.034 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.053 -3.936 -1.376 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.301 -4.181 -1.182 1.00 0.00 H new ATOM 742 N SER A 46 -6.662 -2.858 0.571 1.00 0.00 N ATOM 743 CA SER A 46 -8.094 -3.003 0.807 1.00 0.00 C ATOM 744 C SER A 46 -8.854 -3.107 -0.512 1.00 0.00 C ATOM 745 O SER A 46 -8.411 -2.591 -1.539 1.00 0.00 O ATOM 746 CB SER A 46 -8.620 -1.819 1.620 1.00 0.00 C ATOM 747 OG SER A 46 -9.954 -2.044 2.044 1.00 0.00 O ATOM 0 H SER A 46 -6.424 -2.362 -0.288 1.00 0.00 H new ATOM 0 HA SER A 46 -8.254 -3.922 1.371 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.981 -1.658 2.488 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.575 -0.911 1.018 1.00 0.00 H new ATOM 0 HG SER A 46 -10.267 -1.274 2.563 1.00 0.00 H new ATOM 753 N ASP A 47 -10.000 -3.777 -0.476 1.00 0.00 N ATOM 754 CA ASP A 47 -10.824 -3.948 -1.667 1.00 0.00 C ATOM 755 C ASP A 47 -10.009 -4.548 -2.809 1.00 0.00 C ATOM 756 O ASP A 47 -10.075 -4.079 -3.946 1.00 0.00 O ATOM 757 CB ASP A 47 -11.420 -2.608 -2.098 1.00 0.00 C ATOM 758 CG ASP A 47 -12.621 -2.774 -3.009 1.00 0.00 C ATOM 759 OD1 ASP A 47 -12.477 -3.420 -4.069 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.704 -2.260 -2.661 1.00 0.00 O ATOM 0 H ASP A 47 -10.380 -4.211 0.365 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.635 -4.635 -1.423 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.714 -2.043 -1.213 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.657 -2.022 -2.611 1.00 0.00 H new ATOM 765 N LEU A 48 -9.241 -5.586 -2.499 1.00 0.00 N ATOM 766 CA LEU A 48 -8.412 -6.250 -3.499 1.00 0.00 C ATOM 767 C LEU A 48 -7.732 -5.230 -4.407 1.00 0.00 C ATOM 768 O LEU A 48 -7.665 -5.414 -5.623 1.00 0.00 O ATOM 769 CB LEU A 48 -9.258 -7.211 -4.335 1.00 0.00 C ATOM 770 CG LEU A 48 -9.961 -8.330 -3.566 1.00 0.00 C ATOM 771 CD1 LEU A 48 -10.907 -9.093 -4.480 1.00 0.00 C ATOM 772 CD2 LEU A 48 -8.940 -9.273 -2.946 1.00 0.00 C ATOM 0 H LEU A 48 -9.175 -5.986 -1.563 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.640 -6.816 -2.978 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.014 -6.631 -4.865 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.617 -7.664 -5.091 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.547 -7.881 -2.764 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.398 -9.885 -3.915 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.659 -8.411 -4.877 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.343 -9.531 -5.304 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.458 -10.063 -2.402 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.328 -9.714 -3.732 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.302 -8.718 -2.258 1.00 0.00 H new ATOM 784 N CYS A 49 -7.228 -4.157 -3.809 1.00 0.00 N ATOM 785 CA CYS A 49 -6.552 -3.108 -4.564 1.00 0.00 C ATOM 786 C CYS A 49 -5.515 -2.398 -3.699 1.00 0.00 C ATOM 787 O CYS A 49 -5.523 -2.522 -2.474 1.00 0.00 O ATOM 788 CB CYS A 49 -7.569 -2.097 -5.095 1.00 0.00 C ATOM 789 SG CYS A 49 -6.962 -1.092 -6.470 1.00 0.00 S ATOM 0 H CYS A 49 -7.274 -3.990 -2.804 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.039 -3.573 -5.406 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.463 -2.632 -5.417 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.868 -1.437 -4.281 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.796 -1.528 -6.844 1.00 0.00 H new ATOM 795 N LEU A 50 -4.622 -1.656 -4.345 1.00 0.00 N ATOM 796 CA LEU A 50 -3.577 -0.926 -3.635 1.00 0.00 C ATOM 797 C LEU A 50 -3.895 0.564 -3.578 1.00 0.00 C ATOM 798 O LEU A 50 -4.239 1.175 -4.590 1.00 0.00 O ATOM 799 CB LEU A 50 -2.224 -1.145 -4.315 1.00 0.00 C ATOM 800 CG LEU A 50 -1.422 -2.356 -3.839 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.239 -2.609 -4.761 1.00 0.00 C ATOM 802 CD2 LEU A 50 -0.950 -2.154 -2.406 1.00 0.00 C ATOM 0 H LEU A 50 -4.600 -1.544 -5.359 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.531 -1.307 -2.615 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.391 -1.244 -5.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.617 -0.252 -4.168 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.071 -3.231 -3.866 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.320 -3.475 -4.406 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.600 -2.799 -5.772 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.412 -1.734 -4.767 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.381 -3.026 -2.084 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.317 -1.268 -2.353 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.813 -2.023 -1.754 1.00 0.00 H new ATOM 814 N PHE A 51 -3.777 1.144 -2.388 1.00 0.00 N ATOM 815 CA PHE A 51 -4.050 2.564 -2.199 1.00 0.00 C ATOM 816 C PHE A 51 -2.995 3.207 -1.304 1.00 0.00 C ATOM 817 O PHE A 51 -2.645 2.668 -0.254 1.00 0.00 O ATOM 818 CB PHE A 51 -5.441 2.760 -1.591 1.00 0.00 C ATOM 819 CG PHE A 51 -6.556 2.296 -2.483 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.835 2.958 -3.668 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.326 1.197 -2.136 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.861 2.533 -4.491 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.353 0.768 -2.955 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.621 1.437 -4.134 1.00 0.00 C ATOM 0 H PHE A 51 -3.494 0.652 -1.540 1.00 0.00 H new ATOM 0 HA PHE A 51 -4.016 3.049 -3.175 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.495 2.221 -0.645 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.584 3.816 -1.364 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.244 3.816 -3.952 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.121 0.670 -1.216 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.068 3.058 -5.412 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.946 -0.090 -2.674 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.423 1.103 -4.775 1.00 0.00 H new ATOM 834 N TYR A 52 -2.493 4.362 -1.726 1.00 0.00 N ATOM 835 CA TYR A 52 -1.476 5.077 -0.965 1.00 0.00 C ATOM 836 C TYR A 52 -1.810 6.563 -0.872 1.00 0.00 C ATOM 837 O TYR A 52 -2.617 7.079 -1.646 1.00 0.00 O ATOM 838 CB TYR A 52 -0.102 4.891 -1.610 1.00 0.00 C ATOM 839 CG TYR A 52 -0.075 5.222 -3.085 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.265 6.526 -3.528 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.139 4.232 -4.036 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.242 6.833 -4.875 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.165 4.531 -5.384 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.027 5.832 -5.799 1.00 0.00 C ATOM 845 OH TYR A 52 -0.003 6.133 -7.141 1.00 0.00 O ATOM 0 H TYR A 52 -2.774 4.823 -2.591 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.455 4.664 0.043 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.621 5.521 -1.092 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.218 3.858 -1.472 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.433 7.312 -2.807 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.288 3.211 -3.716 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.392 7.851 -5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.335 3.750 -6.110 1.00 0.00 H new ATOM 0 HH TYR A 52 0.160 5.316 -7.657 1.00 0.00 H new ATOM 855 N TYR A 53 -1.184 7.245 0.080 1.00 0.00 N ATOM 856 CA TYR A 53 -1.414 8.671 0.277 1.00 0.00 C ATOM 857 C TYR A 53 -0.107 9.398 0.576 1.00 0.00 C ATOM 858 O TYR A 53 0.970 8.803 0.539 1.00 0.00 O ATOM 859 CB TYR A 53 -2.409 8.896 1.417 1.00 0.00 C ATOM 860 CG TYR A 53 -3.479 7.831 1.505 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.149 6.504 1.751 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.821 8.153 1.345 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.123 5.529 1.832 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.803 7.184 1.425 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.449 5.873 1.668 1.00 0.00 C ATOM 866 OH TYR A 53 -6.422 4.905 1.750 1.00 0.00 O ATOM 0 H TYR A 53 -0.513 6.833 0.728 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.831 9.076 -0.645 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.865 8.932 2.361 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.885 9.868 1.286 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.112 6.230 1.881 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.102 9.178 1.155 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.848 4.502 2.023 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.842 7.452 1.298 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.302 5.313 1.612 1.00 0.00 H new ATOM 876 N ARG A 54 -0.211 10.689 0.875 1.00 0.00 N ATOM 877 CA ARG A 54 0.962 11.499 1.181 1.00 0.00 C ATOM 878 C ARG A 54 1.640 11.013 2.459 1.00 0.00 C ATOM 879 O ARG A 54 2.863 10.881 2.513 1.00 0.00 O ATOM 880 CB ARG A 54 0.569 12.970 1.327 1.00 0.00 C ATOM 881 CG ARG A 54 0.385 13.686 0.000 1.00 0.00 C ATOM 882 CD ARG A 54 1.715 13.896 -0.709 1.00 0.00 C ATOM 883 NE ARG A 54 1.592 14.809 -1.842 1.00 0.00 N ATOM 884 CZ ARG A 54 2.612 15.156 -2.619 1.00 0.00 C ATOM 885 NH1 ARG A 54 3.823 14.669 -2.386 1.00 0.00 N ATOM 886 NH2 ARG A 54 2.422 15.992 -3.632 1.00 0.00 N ATOM 0 H ARG A 54 -1.095 11.196 0.912 1.00 0.00 H new ATOM 0 HA ARG A 54 1.667 11.399 0.356 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.358 13.035 1.897 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.335 13.486 1.905 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.281 13.106 -0.638 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.095 14.650 0.169 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.444 14.291 -0.002 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.096 12.936 -1.057 1.00 0.00 H new ATOM 0 HE ARG A 54 0.673 15.201 -2.048 1.00 0.00 H new ATOM 0 HH11 ARG A 54 3.973 14.026 -1.608 1.00 0.00 H new ATOM 0 HH12 ARG A 54 4.604 14.937 -2.984 1.00 0.00 H new ATOM 0 HH21 ARG A 54 1.492 16.369 -3.815 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.206 16.258 -4.228 1.00 0.00 H new ATOM 900 N ASP A 55 0.838 10.749 3.484 1.00 0.00 N ATOM 901 CA ASP A 55 1.360 10.277 4.762 1.00 0.00 C ATOM 902 C ASP A 55 0.357 9.358 5.452 1.00 0.00 C ATOM 903 O ASP A 55 -0.686 9.028 4.889 1.00 0.00 O ATOM 904 CB ASP A 55 1.693 11.462 5.670 1.00 0.00 C ATOM 905 CG ASP A 55 0.837 12.678 5.372 1.00 0.00 C ATOM 906 OD1 ASP A 55 1.239 13.491 4.514 1.00 0.00 O ATOM 907 OD2 ASP A 55 -0.235 12.816 5.997 1.00 0.00 O ATOM 0 H ASP A 55 -0.176 10.854 3.456 1.00 0.00 H new ATOM 0 HA ASP A 55 2.271 9.711 4.568 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.553 11.169 6.711 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.744 11.723 5.551 1.00 0.00 H new ATOM 912 N GLU A 56 0.682 8.947 6.674 1.00 0.00 N ATOM 913 CA GLU A 56 -0.190 8.063 7.439 1.00 0.00 C ATOM 914 C GLU A 56 -1.596 8.646 7.547 1.00 0.00 C ATOM 915 O GLU A 56 -2.582 7.912 7.611 1.00 0.00 O ATOM 916 CB GLU A 56 0.386 7.829 8.837 1.00 0.00 C ATOM 917 CG GLU A 56 0.160 8.990 9.791 1.00 0.00 C ATOM 918 CD GLU A 56 -1.140 8.868 10.562 1.00 0.00 C ATOM 919 OE1 GLU A 56 -1.555 7.725 10.847 1.00 0.00 O ATOM 920 OE2 GLU A 56 -1.742 9.914 10.880 1.00 0.00 O ATOM 0 H GLU A 56 1.542 9.212 7.155 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.250 7.110 6.914 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.062 6.930 9.260 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.457 7.642 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.991 9.044 10.494 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.158 9.923 9.227 1.00 0.00 H new ATOM 927 N LYS A 57 -1.680 9.972 7.567 1.00 0.00 N ATOM 928 CA LYS A 57 -2.964 10.656 7.666 1.00 0.00 C ATOM 929 C LYS A 57 -3.915 10.191 6.568 1.00 0.00 C ATOM 930 O LYS A 57 -5.129 10.356 6.676 1.00 0.00 O ATOM 931 CB LYS A 57 -2.766 12.171 7.575 1.00 0.00 C ATOM 932 CG LYS A 57 -1.914 12.741 8.696 1.00 0.00 C ATOM 933 CD LYS A 57 -2.225 14.208 8.943 1.00 0.00 C ATOM 934 CE LYS A 57 -1.022 14.946 9.510 1.00 0.00 C ATOM 935 NZ LYS A 57 -1.058 16.398 9.184 1.00 0.00 N ATOM 0 H LYS A 57 -0.874 10.595 7.516 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.405 10.410 8.632 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.302 12.412 6.619 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.741 12.658 7.587 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.086 12.173 9.610 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.859 12.629 8.445 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -2.534 14.678 8.009 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.063 14.292 9.635 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.994 14.817 10.592 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -0.107 14.507 9.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.221 16.865 9.588 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -1.059 16.522 8.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.919 16.822 9.585 1.00 0.00 H new ATOM 949 N GLU A 58 -3.354 9.607 5.513 1.00 0.00 N ATOM 950 CA GLU A 58 -4.153 9.118 4.396 1.00 0.00 C ATOM 951 C GLU A 58 -5.412 9.962 4.217 1.00 0.00 C ATOM 952 O GLU A 58 -6.513 9.431 4.078 1.00 0.00 O ATOM 953 CB GLU A 58 -4.536 7.653 4.618 1.00 0.00 C ATOM 954 CG GLU A 58 -5.133 7.381 5.988 1.00 0.00 C ATOM 955 CD GLU A 58 -6.606 7.734 6.064 1.00 0.00 C ATOM 956 OE1 GLU A 58 -7.429 6.963 5.528 1.00 0.00 O ATOM 957 OE2 GLU A 58 -6.935 8.782 6.658 1.00 0.00 O ATOM 0 H GLU A 58 -2.350 9.461 5.409 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.552 9.197 3.490 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.252 7.354 3.853 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -3.651 7.031 4.487 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -5.003 6.327 6.234 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -4.587 7.953 6.738 1.00 0.00 H new ATOM 964 N GLU A 59 -5.239 11.280 4.222 1.00 0.00 N ATOM 965 CA GLU A 59 -6.360 12.198 4.061 1.00 0.00 C ATOM 966 C GLU A 59 -6.523 12.607 2.600 1.00 0.00 C ATOM 967 O GLU A 59 -6.868 13.749 2.298 1.00 0.00 O ATOM 968 CB GLU A 59 -6.160 13.441 4.931 1.00 0.00 C ATOM 969 CG GLU A 59 -6.515 13.225 6.392 1.00 0.00 C ATOM 970 CD GLU A 59 -6.737 14.526 7.137 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.718 15.232 6.819 1.00 0.00 O ATOM 972 OE2 GLU A 59 -5.931 14.840 8.038 1.00 0.00 O ATOM 0 H GLU A 59 -4.334 11.736 4.336 1.00 0.00 H new ATOM 0 HA GLU A 59 -7.266 11.683 4.379 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -5.120 13.759 4.862 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -6.769 14.254 4.534 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -7.416 12.615 6.457 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.716 12.665 6.877 1.00 0.00 H new ATOM 979 N GLY A 60 -6.272 11.665 1.696 1.00 0.00 N ATOM 980 CA GLY A 60 -6.395 11.946 0.277 1.00 0.00 C ATOM 981 C GLY A 60 -5.494 11.068 -0.568 1.00 0.00 C ATOM 982 O GLY A 60 -4.271 11.215 -0.542 1.00 0.00 O ATOM 0 H GLY A 60 -5.986 10.712 1.921 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.431 11.801 -0.031 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.152 12.993 0.095 1.00 0.00 H new ATOM 986 N ILE A 61 -6.097 10.153 -1.319 1.00 0.00 N ATOM 987 CA ILE A 61 -5.340 9.248 -2.175 1.00 0.00 C ATOM 988 C ILE A 61 -4.740 9.990 -3.365 1.00 0.00 C ATOM 989 O ILE A 61 -5.430 10.746 -4.050 1.00 0.00 O ATOM 990 CB ILE A 61 -6.220 8.096 -2.693 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.911 7.388 -1.526 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.384 7.111 -3.497 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.854 6.287 -1.960 1.00 0.00 C ATOM 0 H ILE A 61 -7.108 10.019 -1.352 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.537 8.835 -1.565 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.987 8.511 -3.347 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.152 6.966 -0.867 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.467 8.123 -0.944 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.020 6.302 -3.856 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.935 7.624 -4.347 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.597 6.700 -2.864 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.308 5.829 -1.081 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.635 6.706 -2.595 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.300 5.532 -2.517 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.453 9.767 -3.606 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.760 10.413 -4.715 1.00 0.00 C ATOM 1007 C LEU A 62 -2.877 9.582 -5.988 1.00 0.00 C ATOM 1008 O LEU A 62 -2.890 10.120 -7.094 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.286 10.627 -4.365 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.970 10.833 -2.883 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.513 11.103 -2.686 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.802 11.974 -2.315 1.00 0.00 C ATOM 0 H LEU A 62 -2.868 9.144 -3.049 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.230 11.381 -4.891 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.720 9.765 -4.720 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.925 11.495 -4.917 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.226 9.920 -2.346 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.719 11.247 -1.625 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.089 10.255 -3.056 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.796 12.001 -3.236 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.565 12.107 -1.259 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.577 12.893 -2.856 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.861 11.740 -2.422 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.964 8.265 -5.824 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.081 7.381 -6.968 1.00 0.00 C ATOM 1026 C GLY A 63 -3.304 5.937 -6.565 1.00 0.00 C ATOM 1027 O GLY A 63 -2.589 5.405 -5.715 1.00 0.00 O ATOM 0 H GLY A 63 -2.955 7.795 -4.919 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.909 7.712 -7.596 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.176 7.451 -7.571 1.00 0.00 H new ATOM 1031 N SER A 64 -4.299 5.300 -7.174 1.00 0.00 N ATOM 1032 CA SER A 64 -4.618 3.910 -6.869 1.00 0.00 C ATOM 1033 C SER A 64 -3.981 2.971 -7.889 1.00 0.00 C ATOM 1034 O SER A 64 -3.712 3.361 -9.025 1.00 0.00 O ATOM 1035 CB SER A 64 -6.134 3.705 -6.847 1.00 0.00 C ATOM 1036 OG SER A 64 -6.733 4.206 -8.030 1.00 0.00 O ATOM 0 H SER A 64 -4.898 5.724 -7.882 1.00 0.00 H new ATOM 0 HA SER A 64 -4.213 3.678 -5.884 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.359 2.644 -6.743 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.560 4.208 -5.979 1.00 0.00 H new ATOM 0 HG SER A 64 -7.702 4.062 -7.993 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.742 1.731 -7.473 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.138 0.736 -8.349 1.00 0.00 C ATOM 1044 C ILE A 65 -3.945 -0.558 -8.350 1.00 0.00 C ATOM 1045 O ILE A 65 -4.284 -1.092 -7.293 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.689 0.423 -7.932 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.767 1.589 -8.297 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.213 -0.862 -8.591 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.644 1.430 -7.774 1.00 0.00 C ATOM 0 H ILE A 65 -3.958 1.393 -6.535 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.135 1.161 -9.353 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.660 0.285 -6.851 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.735 1.690 -9.382 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.190 2.513 -7.903 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.187 -1.069 -8.286 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.856 -1.687 -8.285 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.254 -0.752 -9.675 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.241 2.292 -8.070 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.623 1.359 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.086 0.524 -8.188 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.247 -1.059 -9.543 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.013 -2.293 -9.682 1.00 0.00 C ATOM 1063 C LEU A 66 -4.094 -3.510 -9.667 1.00 0.00 C ATOM 1064 O LEU A 66 -3.289 -3.705 -10.580 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.825 -2.269 -10.979 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.236 -1.689 -10.876 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.108 -2.561 -9.986 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.190 -0.263 -10.348 1.00 0.00 C ATOM 0 H LEU A 66 -3.973 -0.630 -10.427 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.695 -2.365 -8.834 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.271 -1.694 -11.721 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.899 -3.289 -11.357 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.674 -1.671 -11.874 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.108 -2.132 -9.925 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.168 -3.565 -10.407 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.673 -2.612 -8.988 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.203 0.133 -10.282 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.732 -0.256 -9.359 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.602 0.357 -11.025 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.219 -4.327 -8.627 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.401 -5.527 -8.495 1.00 0.00 C ATOM 1082 C LEU A 67 -3.871 -6.616 -9.453 1.00 0.00 C ATOM 1083 O LEU A 67 -3.073 -7.310 -10.084 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.447 -6.043 -7.055 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.524 -5.340 -6.060 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.858 -5.757 -4.636 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.067 -5.642 -6.378 1.00 0.00 C ATOM 0 H LEU A 67 -4.879 -4.180 -7.863 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.374 -5.266 -8.749 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.471 -5.958 -6.692 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.199 -7.104 -7.063 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.679 -4.265 -6.148 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.191 -5.247 -3.941 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.890 -5.489 -4.411 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.733 -6.835 -4.534 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.425 -5.133 -5.659 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.897 -6.717 -6.319 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.834 -5.292 -7.384 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.199 -6.770 -9.568 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.806 -7.771 -10.450 1.00 0.00 C ATOM 1101 C PRO A 68 -5.200 -7.755 -11.849 1.00 0.00 C ATOM 1102 O PRO A 68 -5.244 -8.754 -12.567 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.278 -7.353 -10.500 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.508 -6.622 -9.223 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.209 -5.978 -8.847 1.00 0.00 C ATOM 0 HA PRO A 68 -5.649 -8.786 -10.084 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.480 -6.717 -11.362 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.933 -8.220 -10.583 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.290 -5.872 -9.343 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.840 -7.306 -8.442 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.182 -4.930 -9.145 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.045 -6.008 -7.770 1.00 0.00 H new ATOM 1113 N SER A 69 -4.634 -6.614 -12.231 1.00 0.00 N ATOM 1114 CA SER A 69 -4.022 -6.468 -13.546 1.00 0.00 C ATOM 1115 C SER A 69 -2.522 -6.739 -13.481 1.00 0.00 C ATOM 1116 O SER A 69 -1.895 -7.072 -14.486 1.00 0.00 O ATOM 1117 CB SER A 69 -4.273 -5.062 -14.096 1.00 0.00 C ATOM 1118 OG SER A 69 -5.583 -4.949 -14.626 1.00 0.00 O ATOM 0 H SER A 69 -4.587 -5.778 -11.648 1.00 0.00 H new ATOM 0 HA SER A 69 -4.478 -7.199 -14.214 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.133 -4.327 -13.303 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.542 -4.836 -14.872 1.00 0.00 H new ATOM 0 HG SER A 69 -5.720 -4.041 -14.970 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.953 -6.594 -12.288 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.526 -6.822 -12.090 1.00 0.00 C ATOM 1126 C PHE A 70 -0.234 -8.307 -11.898 1.00 0.00 C ATOM 1127 O PHE A 70 -1.110 -9.076 -11.503 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.026 -6.032 -10.879 1.00 0.00 C ATOM 1129 CG PHE A 70 0.473 -4.658 -11.223 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.631 -4.494 -11.967 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.216 -3.531 -10.805 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.093 -3.230 -12.285 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.241 -2.265 -11.121 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.396 -2.115 -11.862 1.00 0.00 C ATOM 0 H PHE A 70 -2.458 -6.320 -11.445 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.001 -6.479 -12.982 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.835 -5.945 -10.153 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.776 -6.591 -10.397 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.178 -5.363 -12.302 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.121 -3.643 -10.226 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.998 -3.115 -12.863 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.305 -1.394 -10.789 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.754 -1.127 -12.111 1.00 0.00 H new ATOM 1144 N GLN A 71 1.003 -8.703 -12.182 1.00 0.00 N ATOM 1145 CA GLN A 71 1.410 -10.096 -12.042 1.00 0.00 C ATOM 1146 C GLN A 71 2.528 -10.236 -11.014 1.00 0.00 C ATOM 1147 O GLN A 71 3.666 -9.839 -11.263 1.00 0.00 O ATOM 1148 CB GLN A 71 1.869 -10.653 -13.391 1.00 0.00 C ATOM 1149 CG GLN A 71 2.891 -11.772 -13.271 1.00 0.00 C ATOM 1150 CD GLN A 71 3.053 -12.554 -14.560 1.00 0.00 C ATOM 1151 OE1 GLN A 71 4.019 -12.362 -15.299 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.106 -13.443 -14.836 1.00 0.00 N ATOM 0 H GLN A 71 1.740 -8.079 -12.510 1.00 0.00 H new ATOM 0 HA GLN A 71 0.549 -10.667 -11.695 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.001 -11.022 -13.937 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.297 -9.843 -13.982 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.854 -11.350 -12.983 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.589 -12.451 -12.474 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.323 -13.569 -14.195 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.162 -13.999 -15.689 1.00 0.00 H new ATOM 1161 N ILE A 72 2.195 -10.802 -9.859 1.00 0.00 N ATOM 1162 CA ILE A 72 3.171 -10.995 -8.794 1.00 0.00 C ATOM 1163 C ILE A 72 4.034 -12.224 -9.055 1.00 0.00 C ATOM 1164 O ILE A 72 3.560 -13.357 -8.975 1.00 0.00 O ATOM 1165 CB ILE A 72 2.486 -11.144 -7.423 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.259 -10.234 -7.339 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.466 -10.826 -6.303 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.565 -8.780 -7.623 1.00 0.00 C ATOM 0 H ILE A 72 1.257 -11.135 -9.637 1.00 0.00 H new ATOM 0 HA ILE A 72 3.803 -10.107 -8.781 1.00 0.00 H new ATOM 0 HB ILE A 72 2.157 -12.177 -7.309 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.508 -10.584 -8.047 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.822 -10.317 -6.344 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.967 -10.936 -5.340 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.311 -11.512 -6.354 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.823 -9.802 -6.412 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.649 -8.194 -7.546 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.293 -8.413 -6.899 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.974 -8.684 -8.629 1.00 0.00 H new ATOM 1180 N ALA A 73 5.305 -11.993 -9.367 1.00 0.00 N ATOM 1181 CA ALA A 73 6.236 -13.082 -9.636 1.00 0.00 C ATOM 1182 C ALA A 73 7.547 -12.882 -8.883 1.00 0.00 C ATOM 1183 O ALA A 73 8.090 -11.778 -8.843 1.00 0.00 O ATOM 1184 CB ALA A 73 6.497 -13.196 -11.131 1.00 0.00 C ATOM 0 H ALA A 73 5.714 -11.061 -9.440 1.00 0.00 H new ATOM 0 HA ALA A 73 5.783 -14.009 -9.285 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.194 -14.013 -11.317 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.559 -13.393 -11.650 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.925 -12.263 -11.498 1.00 0.00 H new ATOM 1190 N LEU A 74 8.050 -13.957 -8.285 1.00 0.00 N ATOM 1191 CA LEU A 74 9.297 -13.900 -7.531 1.00 0.00 C ATOM 1192 C LEU A 74 10.412 -13.284 -8.370 1.00 0.00 C ATOM 1193 O LEU A 74 10.519 -13.544 -9.569 1.00 0.00 O ATOM 1194 CB LEU A 74 9.704 -15.301 -7.073 1.00 0.00 C ATOM 1195 CG LEU A 74 9.150 -15.752 -5.721 1.00 0.00 C ATOM 1196 CD1 LEU A 74 9.823 -14.992 -4.588 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.641 -15.561 -5.672 1.00 0.00 C ATOM 0 H LEU A 74 7.613 -14.878 -8.308 1.00 0.00 H new ATOM 0 HA LEU A 74 9.135 -13.271 -6.656 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.385 -16.016 -7.831 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.792 -15.346 -7.031 1.00 0.00 H new ATOM 0 HG LEU A 74 9.366 -16.813 -5.597 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.416 -15.326 -3.634 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.896 -15.180 -4.611 1.00 0.00 H new ATOM 0 HD13 LEU A 74 9.639 -13.924 -4.707 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.264 -15.887 -4.703 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.403 -14.507 -5.818 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.174 -16.151 -6.460 1.00 0.00 H new ATOM 1209 N LEU A 75 11.243 -12.466 -7.732 1.00 0.00 N ATOM 1210 CA LEU A 75 12.353 -11.814 -8.418 1.00 0.00 C ATOM 1211 C LEU A 75 13.214 -12.836 -9.154 1.00 0.00 C ATOM 1212 O LEU A 75 12.888 -14.022 -9.199 1.00 0.00 O ATOM 1213 CB LEU A 75 13.208 -11.033 -7.419 1.00 0.00 C ATOM 1214 CG LEU A 75 12.628 -9.704 -6.934 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.692 -8.888 -6.215 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.047 -8.918 -8.100 1.00 0.00 C ATOM 0 H LEU A 75 11.169 -12.239 -6.740 1.00 0.00 H new ATOM 0 HA LEU A 75 11.939 -11.121 -9.151 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.387 -11.667 -6.551 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.178 -10.838 -7.876 1.00 0.00 H new ATOM 0 HG LEU A 75 11.824 -9.916 -6.229 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.261 -7.946 -5.877 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.061 -9.448 -5.355 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.518 -8.685 -6.897 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.639 -7.975 -7.736 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.831 -8.716 -8.830 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.254 -9.499 -8.571 1.00 0.00 H new ATOM 1377 N TYR A 85 14.496 -10.756 -0.734 1.00 0.00 N ATOM 1378 CA TYR A 85 13.273 -10.685 0.057 1.00 0.00 C ATOM 1379 C TYR A 85 12.294 -9.680 -0.543 1.00 0.00 C ATOM 1380 O TYR A 85 11.541 -9.025 0.176 1.00 0.00 O ATOM 1381 CB TYR A 85 13.597 -10.298 1.501 1.00 0.00 C ATOM 1382 CG TYR A 85 14.148 -11.440 2.325 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.127 -12.282 1.813 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.688 -11.678 3.614 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.633 -13.327 2.561 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.189 -12.719 4.370 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.162 -13.541 3.840 1.00 0.00 C ATOM 1388 OH TYR A 85 15.662 -14.581 4.589 1.00 0.00 O ATOM 0 HA TYR A 85 12.806 -11.670 0.047 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.320 -9.483 1.496 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.693 -9.920 1.978 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.499 -12.117 0.813 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.925 -11.038 4.032 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.393 -13.973 2.147 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.821 -12.889 5.371 1.00 0.00 H new ATOM 0 HH TYR A 85 15.225 -14.592 5.466 1.00 0.00 H new ATOM 1398 N ALA A 86 12.311 -9.567 -1.867 1.00 0.00 N ATOM 1399 CA ALA A 86 11.423 -8.645 -2.566 1.00 0.00 C ATOM 1400 C ALA A 86 10.765 -9.320 -3.765 1.00 0.00 C ATOM 1401 O ALA A 86 11.074 -10.466 -4.092 1.00 0.00 O ATOM 1402 CB ALA A 86 12.190 -7.408 -3.009 1.00 0.00 C ATOM 0 H ALA A 86 12.929 -10.102 -2.477 1.00 0.00 H new ATOM 0 HA ALA A 86 10.636 -8.343 -1.875 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.515 -6.728 -3.529 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.608 -6.907 -2.136 1.00 0.00 H new ATOM 0 HB3 ALA A 86 12.998 -7.701 -3.680 1.00 0.00 H new ATOM 1408 N PHE A 87 9.856 -8.602 -4.416 1.00 0.00 N ATOM 1409 CA PHE A 87 9.153 -9.132 -5.578 1.00 0.00 C ATOM 1410 C PHE A 87 8.985 -8.058 -6.650 1.00 0.00 C ATOM 1411 O PHE A 87 9.481 -6.940 -6.507 1.00 0.00 O ATOM 1412 CB PHE A 87 7.783 -9.676 -5.167 1.00 0.00 C ATOM 1413 CG PHE A 87 7.111 -8.864 -4.097 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.586 -8.881 -2.796 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.006 -8.083 -4.393 1.00 0.00 C ATOM 1416 CE1 PHE A 87 6.971 -8.135 -1.809 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.387 -7.334 -3.410 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.869 -7.361 -2.116 1.00 0.00 C ATOM 0 H PHE A 87 9.589 -7.652 -4.159 1.00 0.00 H new ATOM 0 HA PHE A 87 9.750 -9.944 -5.993 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.137 -9.711 -6.044 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.899 -10.701 -4.815 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.447 -9.485 -2.550 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.624 -8.059 -5.403 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.352 -8.157 -0.799 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.527 -6.728 -3.654 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.385 -6.778 -1.346 1.00 0.00 H new ATOM 1428 N LYS A 88 8.283 -8.406 -7.723 1.00 0.00 N ATOM 1429 CA LYS A 88 8.049 -7.474 -8.819 1.00 0.00 C ATOM 1430 C LYS A 88 6.727 -7.778 -9.518 1.00 0.00 C ATOM 1431 O LYS A 88 6.377 -8.939 -9.726 1.00 0.00 O ATOM 1432 CB LYS A 88 9.198 -7.541 -9.827 1.00 0.00 C ATOM 1433 CG LYS A 88 9.128 -8.744 -10.751 1.00 0.00 C ATOM 1434 CD LYS A 88 10.028 -8.570 -11.963 1.00 0.00 C ATOM 1435 CE LYS A 88 10.414 -9.910 -12.569 1.00 0.00 C ATOM 1436 NZ LYS A 88 11.610 -10.496 -11.903 1.00 0.00 N ATOM 0 H LYS A 88 7.866 -9.327 -7.857 1.00 0.00 H new ATOM 0 HA LYS A 88 7.997 -6.468 -8.403 1.00 0.00 H new ATOM 0 HB2 LYS A 88 9.196 -6.632 -10.428 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.144 -7.564 -9.286 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.421 -9.641 -10.205 1.00 0.00 H new ATOM 0 HG3 LYS A 88 8.099 -8.892 -11.079 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.518 -7.964 -12.712 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.928 -8.028 -11.674 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.576 -10.602 -12.484 1.00 0.00 H new ATOM 0 HE3 LYS A 88 10.616 -9.783 -13.632 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 12.274 -10.842 -12.624 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 12.076 -9.769 -11.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 11.316 -11.287 -11.295 1.00 0.00 H new ATOM 1450 N ALA A 89 5.999 -6.727 -9.880 1.00 0.00 N ATOM 1451 CA ALA A 89 4.718 -6.882 -10.559 1.00 0.00 C ATOM 1452 C ALA A 89 4.817 -6.458 -12.020 1.00 0.00 C ATOM 1453 O ALA A 89 5.230 -5.339 -12.325 1.00 0.00 O ATOM 1454 CB ALA A 89 3.642 -6.078 -9.845 1.00 0.00 C ATOM 0 H ALA A 89 6.274 -5.759 -9.715 1.00 0.00 H new ATOM 0 HA ALA A 89 4.445 -7.937 -10.532 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.691 -6.203 -10.363 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.545 -6.431 -8.818 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.918 -5.023 -9.842 1.00 0.00 H new ATOM 1460 N ALA A 90 4.435 -7.358 -12.920 1.00 0.00 N ATOM 1461 CA ALA A 90 4.479 -7.076 -14.349 1.00 0.00 C ATOM 1462 C ALA A 90 3.107 -6.661 -14.870 1.00 0.00 C ATOM 1463 O ALA A 90 2.096 -7.289 -14.554 1.00 0.00 O ATOM 1464 CB ALA A 90 4.989 -8.290 -15.111 1.00 0.00 C ATOM 0 H ALA A 90 4.091 -8.289 -12.684 1.00 0.00 H new ATOM 0 HA ALA A 90 5.166 -6.245 -14.509 1.00 0.00 H new ATOM 0 HB1 ALA A 90 5.017 -8.065 -16.177 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.992 -8.540 -14.767 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.324 -9.135 -14.936 1.00 0.00 H new ATOM 1470 N HIS A 91 3.079 -5.598 -15.668 1.00 0.00 N ATOM 1471 CA HIS A 91 1.830 -5.099 -16.232 1.00 0.00 C ATOM 1472 C HIS A 91 1.947 -4.926 -17.744 1.00 0.00 C ATOM 1473 O HIS A 91 2.968 -4.474 -18.264 1.00 0.00 O ATOM 1474 CB HIS A 91 1.447 -3.769 -15.583 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.007 -3.435 -15.712 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.551 -2.870 -16.846 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.032 -3.591 -14.842 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -1.848 -2.692 -16.668 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.165 -3.121 -15.460 1.00 0.00 N ATOM 0 H HIS A 91 3.906 -5.066 -15.938 1.00 0.00 H new ATOM 0 HA HIS A 91 1.050 -5.832 -16.027 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.711 -3.801 -14.526 1.00 0.00 H new ATOM 0 HB3 HIS A 91 2.036 -2.971 -16.035 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.970 -4.007 -13.847 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.532 -2.268 -17.388 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.100 -3.106 -15.052 1.00 0.00 H new ATOM 1488 N PRO A 92 0.879 -5.293 -18.467 1.00 0.00 N ATOM 1489 CA PRO A 92 0.838 -5.187 -19.929 1.00 0.00 C ATOM 1490 C PRO A 92 0.723 -3.743 -20.402 1.00 0.00 C ATOM 1491 O PRO A 92 1.464 -3.307 -21.281 1.00 0.00 O ATOM 1492 CB PRO A 92 -0.418 -5.976 -20.306 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.299 -5.883 -19.108 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.372 -5.839 -17.914 1.00 0.00 C ATOM 0 HA PRO A 92 1.750 -5.565 -20.391 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -0.902 -5.553 -21.187 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.178 -7.013 -20.541 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -1.923 -4.991 -19.151 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -1.971 -6.740 -19.050 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -0.770 -5.206 -17.121 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.222 -6.830 -17.486 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.212 -3.004 -19.813 1.00 0.00 N ATOM 1503 CA ASN A 93 -0.425 -1.608 -20.175 1.00 0.00 C ATOM 1504 C ASN A 93 0.330 -0.679 -19.229 1.00 0.00 C ATOM 1505 O ASN A 93 -0.032 0.486 -19.066 1.00 0.00 O ATOM 1506 CB ASN A 93 -1.918 -1.274 -20.152 1.00 0.00 C ATOM 1507 CG ASN A 93 -2.606 -1.609 -21.461 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.140 -1.227 -22.535 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.720 -2.326 -21.377 1.00 0.00 N ATOM 0 H ASN A 93 -0.834 -3.349 -19.082 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.042 -1.459 -21.185 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.398 -1.823 -19.342 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.047 -0.213 -19.938 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.227 -2.582 -22.224 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.069 -2.621 -20.465 1.00 0.00 H new ATOM 1516 N MET A 94 1.381 -1.204 -18.607 1.00 0.00 N ATOM 1517 CA MET A 94 2.188 -0.422 -17.678 1.00 0.00 C ATOM 1518 C MET A 94 3.587 -1.014 -17.541 1.00 0.00 C ATOM 1519 O MET A 94 3.935 -1.974 -18.230 1.00 0.00 O ATOM 1520 CB MET A 94 1.511 -0.360 -16.308 1.00 0.00 C ATOM 1521 CG MET A 94 0.570 0.822 -16.148 1.00 0.00 C ATOM 1522 SD MET A 94 0.104 1.112 -14.430 1.00 0.00 S ATOM 1523 CE MET A 94 -0.731 -0.423 -14.042 1.00 0.00 C ATOM 0 H MET A 94 1.693 -2.167 -18.730 1.00 0.00 H new ATOM 0 HA MET A 94 2.278 0.589 -18.076 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.953 -1.282 -16.145 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.278 -0.311 -15.535 1.00 0.00 H new ATOM 0 HG2 MET A 94 1.047 1.717 -16.547 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.329 0.649 -16.740 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.201 -0.344 -13.062 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.493 -0.623 -14.795 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.008 -1.238 -14.033 1.00 0.00 H new ATOM 1533 N ARG A 95 4.385 -0.436 -16.649 1.00 0.00 N ATOM 1534 CA ARG A 95 5.746 -0.907 -16.423 1.00 0.00 C ATOM 1535 C ARG A 95 5.784 -1.949 -15.309 1.00 0.00 C ATOM 1536 O ARG A 95 4.749 -2.314 -14.750 1.00 0.00 O ATOM 1537 CB ARG A 95 6.662 0.266 -16.070 1.00 0.00 C ATOM 1538 CG ARG A 95 6.319 0.929 -14.746 1.00 0.00 C ATOM 1539 CD ARG A 95 7.447 1.828 -14.264 1.00 0.00 C ATOM 1540 NE ARG A 95 7.502 1.904 -12.807 1.00 0.00 N ATOM 1541 CZ ARG A 95 8.036 2.924 -12.144 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.559 3.948 -12.804 1.00 0.00 N ATOM 1543 NH2 ARG A 95 8.049 2.920 -10.817 1.00 0.00 N ATOM 0 H ARG A 95 4.112 0.359 -16.071 1.00 0.00 H new ATOM 0 HA ARG A 95 6.100 -1.372 -17.343 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.693 -0.087 -16.034 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.608 1.010 -16.864 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.407 1.516 -14.857 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.117 0.164 -13.996 1.00 0.00 H new ATOM 0 HD2 ARG A 95 8.397 1.452 -14.643 1.00 0.00 H new ATOM 0 HD3 ARG A 95 7.313 2.829 -14.674 1.00 0.00 H new ATOM 0 HE ARG A 95 7.109 1.132 -12.269 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.552 3.954 -13.824 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.968 4.729 -12.292 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.649 2.133 -10.305 1.00 0.00 H new ATOM 0 HH22 ARG A 95 8.459 3.703 -10.309 1.00 0.00 H new ATOM 1557 N THR A 96 6.984 -2.426 -14.992 1.00 0.00 N ATOM 1558 CA THR A 96 7.156 -3.427 -13.947 1.00 0.00 C ATOM 1559 C THR A 96 7.425 -2.771 -12.597 1.00 0.00 C ATOM 1560 O THR A 96 8.426 -2.077 -12.421 1.00 0.00 O ATOM 1561 CB THR A 96 8.312 -4.390 -14.276 1.00 0.00 C ATOM 1562 OG1 THR A 96 8.071 -5.033 -15.532 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.471 -5.438 -13.186 1.00 0.00 C ATOM 0 H THR A 96 7.851 -2.135 -15.444 1.00 0.00 H new ATOM 0 HA THR A 96 6.226 -3.993 -13.895 1.00 0.00 H new ATOM 0 HB THR A 96 9.233 -3.810 -14.336 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.811 -5.642 -15.735 1.00 0.00 H new ATOM 0 HG21 THR A 96 9.293 -6.106 -13.441 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.684 -4.946 -12.237 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.550 -6.014 -13.098 1.00 0.00 H new ATOM 1571 N TYR A 97 6.526 -2.997 -11.646 1.00 0.00 N ATOM 1572 CA TYR A 97 6.665 -2.426 -10.311 1.00 0.00 C ATOM 1573 C TYR A 97 7.494 -3.339 -9.412 1.00 0.00 C ATOM 1574 O TYR A 97 7.593 -4.542 -9.652 1.00 0.00 O ATOM 1575 CB TYR A 97 5.289 -2.191 -9.687 1.00 0.00 C ATOM 1576 CG TYR A 97 4.587 -0.960 -10.214 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.469 -0.735 -11.580 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.042 -0.022 -9.346 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.829 0.390 -12.066 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.400 1.105 -9.823 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.296 1.306 -11.183 1.00 0.00 C ATOM 1582 OH TYR A 97 2.658 2.426 -11.663 1.00 0.00 O ATOM 0 H TYR A 97 5.693 -3.572 -11.774 1.00 0.00 H new ATOM 0 HA TYR A 97 7.181 -1.471 -10.405 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.662 -3.063 -9.871 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.400 -2.101 -8.606 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.884 -1.451 -12.274 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.121 -0.176 -8.280 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.747 0.551 -13.131 1.00 0.00 H new ATOM 0 HE2 TYR A 97 2.982 1.824 -9.134 1.00 0.00 H new ATOM 0 HH TYR A 97 2.339 2.968 -10.911 1.00 0.00 H new ATOM 1592 N TYR A 98 8.088 -2.757 -8.376 1.00 0.00 N ATOM 1593 CA TYR A 98 8.911 -3.516 -7.442 1.00 0.00 C ATOM 1594 C TYR A 98 8.549 -3.177 -5.999 1.00 0.00 C ATOM 1595 O TYR A 98 8.212 -2.036 -5.682 1.00 0.00 O ATOM 1596 CB TYR A 98 10.393 -3.232 -7.687 1.00 0.00 C ATOM 1597 CG TYR A 98 10.918 -3.826 -8.975 1.00 0.00 C ATOM 1598 CD1 TYR A 98 11.205 -5.181 -9.072 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.127 -3.030 -10.095 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.685 -5.728 -10.247 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.605 -3.568 -11.274 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.884 -4.917 -11.345 1.00 0.00 C ATOM 1603 OH TYR A 98 12.361 -5.458 -12.517 1.00 0.00 O ATOM 0 H TYR A 98 8.015 -1.762 -8.162 1.00 0.00 H new ATOM 0 HA TYR A 98 8.719 -4.576 -7.607 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.550 -2.153 -7.704 1.00 0.00 H new ATOM 0 HB3 TYR A 98 10.973 -3.626 -6.852 1.00 0.00 H new ATOM 0 HD1 TYR A 98 11.050 -5.819 -8.214 1.00 0.00 H new ATOM 0 HD2 TYR A 98 10.912 -1.973 -10.043 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.903 -6.784 -10.305 1.00 0.00 H new ATOM 0 HE2 TYR A 98 11.759 -2.936 -12.136 1.00 0.00 H new ATOM 0 HH TYR A 98 12.444 -4.753 -13.193 1.00 0.00 H new ATOM 1613 N PHE A 99 8.622 -4.178 -5.127 1.00 0.00 N ATOM 1614 CA PHE A 99 8.302 -3.988 -3.717 1.00 0.00 C ATOM 1615 C PHE A 99 9.186 -4.866 -2.836 1.00 0.00 C ATOM 1616 O PHE A 99 9.339 -6.062 -3.087 1.00 0.00 O ATOM 1617 CB PHE A 99 6.828 -4.308 -3.459 1.00 0.00 C ATOM 1618 CG PHE A 99 5.902 -3.753 -4.504 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.536 -2.417 -4.484 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.398 -4.567 -5.505 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.684 -1.903 -5.444 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.547 -4.059 -6.467 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.189 -2.725 -6.436 1.00 0.00 C ATOM 0 H PHE A 99 8.900 -5.128 -5.372 1.00 0.00 H new ATOM 0 HA PHE A 99 8.490 -2.944 -3.465 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.702 -5.390 -3.411 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.543 -3.911 -2.485 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.921 -1.770 -3.710 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.674 -5.611 -5.534 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.406 -0.860 -5.418 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.162 -4.704 -7.243 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.523 -2.326 -7.187 1.00 0.00 H new ATOM 1633 N CYS A 100 9.766 -4.263 -1.804 1.00 0.00 N ATOM 1634 CA CYS A 100 10.637 -4.988 -0.886 1.00 0.00 C ATOM 1635 C CYS A 100 10.279 -4.676 0.564 1.00 0.00 C ATOM 1636 O CYS A 100 9.600 -3.688 0.849 1.00 0.00 O ATOM 1637 CB CYS A 100 12.101 -4.633 -1.150 1.00 0.00 C ATOM 1638 SG CYS A 100 12.591 -3.009 -0.525 1.00 0.00 S ATOM 0 H CYS A 100 9.649 -3.274 -1.582 1.00 0.00 H new ATOM 0 HA CYS A 100 10.494 -6.055 -1.055 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.736 -5.393 -0.694 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.284 -4.667 -2.224 1.00 0.00 H new ATOM 0 HG CYS A 100 12.596 -2.151 -1.502 1.00 0.00 H new ATOM 1644 N THR A 101 10.739 -5.525 1.478 1.00 0.00 N ATOM 1645 CA THR A 101 10.465 -5.342 2.898 1.00 0.00 C ATOM 1646 C THR A 101 11.735 -5.494 3.726 1.00 0.00 C ATOM 1647 O THR A 101 12.797 -5.823 3.197 1.00 0.00 O ATOM 1648 CB THR A 101 9.413 -6.347 3.401 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.800 -7.680 3.048 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.044 -6.038 2.813 1.00 0.00 C ATOM 0 H THR A 101 11.303 -6.346 1.260 1.00 0.00 H new ATOM 0 HA THR A 101 10.076 -4.331 3.018 1.00 0.00 H new ATOM 0 HB THR A 101 9.352 -6.262 4.486 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.971 -8.197 3.862 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.317 -6.761 3.183 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.739 -5.034 3.109 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.093 -6.097 1.726 1.00 0.00 H new ATOM 1658 N ASP A 102 11.619 -5.256 5.028 1.00 0.00 N ATOM 1659 CA ASP A 102 12.758 -5.369 5.931 1.00 0.00 C ATOM 1660 C ASP A 102 13.087 -6.832 6.210 1.00 0.00 C ATOM 1661 O ASP A 102 14.253 -7.229 6.213 1.00 0.00 O ATOM 1662 CB ASP A 102 12.471 -4.638 7.243 1.00 0.00 C ATOM 1663 CG ASP A 102 12.448 -3.132 7.075 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.315 -2.603 6.346 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.564 -2.481 7.670 1.00 0.00 O ATOM 0 H ASP A 102 10.747 -4.983 5.482 1.00 0.00 H new ATOM 0 HA ASP A 102 13.620 -4.907 5.449 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.511 -4.971 7.638 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.229 -4.907 7.978 1.00 0.00 H new ATOM 1670 N THR A 103 12.051 -7.631 6.447 1.00 0.00 N ATOM 1671 CA THR A 103 12.230 -9.050 6.730 1.00 0.00 C ATOM 1672 C THR A 103 11.277 -9.900 5.898 1.00 0.00 C ATOM 1673 O THR A 103 10.349 -9.384 5.277 1.00 0.00 O ATOM 1674 CB THR A 103 12.004 -9.358 8.222 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.674 -8.988 8.603 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.010 -8.613 9.086 1.00 0.00 C ATOM 0 H THR A 103 11.080 -7.320 6.449 1.00 0.00 H new ATOM 0 HA THR A 103 13.258 -9.298 6.467 1.00 0.00 H new ATOM 0 HB THR A 103 12.140 -10.429 8.374 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.538 -9.189 9.553 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.831 -8.846 10.136 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.020 -8.918 8.814 1.00 0.00 H new ATOM 0 HG23 THR A 103 12.901 -7.540 8.929 1.00 0.00 H new ATOM 1684 N GLY A 104 11.513 -11.209 5.890 1.00 0.00 N ATOM 1685 CA GLY A 104 10.666 -12.111 5.130 1.00 0.00 C ATOM 1686 C GLY A 104 9.201 -11.978 5.498 1.00 0.00 C ATOM 1687 O GLY A 104 8.326 -12.074 4.637 1.00 0.00 O ATOM 0 H GLY A 104 12.275 -11.661 6.396 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.790 -11.911 4.066 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.989 -13.138 5.301 1.00 0.00 H new ATOM 1691 N LYS A 105 8.932 -11.757 6.780 1.00 0.00 N ATOM 1692 CA LYS A 105 7.564 -11.611 7.261 1.00 0.00 C ATOM 1693 C LYS A 105 6.857 -10.461 6.550 1.00 0.00 C ATOM 1694 O LYS A 105 5.845 -10.663 5.879 1.00 0.00 O ATOM 1695 CB LYS A 105 7.555 -11.373 8.772 1.00 0.00 C ATOM 1696 CG LYS A 105 6.167 -11.138 9.343 1.00 0.00 C ATOM 1697 CD LYS A 105 5.330 -12.406 9.314 1.00 0.00 C ATOM 1698 CE LYS A 105 4.075 -12.265 10.161 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.474 -13.588 10.487 1.00 0.00 N ATOM 0 H LYS A 105 9.644 -11.675 7.505 1.00 0.00 H new ATOM 0 HA LYS A 105 7.028 -12.535 7.042 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.002 -12.234 9.269 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.183 -10.511 8.999 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.251 -10.780 10.369 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.665 -10.357 8.772 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.052 -12.636 8.285 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.924 -13.244 9.679 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.317 -11.739 11.084 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.344 -11.655 9.629 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.621 -13.449 11.065 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.219 -14.080 9.607 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.162 -14.161 11.017 1.00 0.00 H new ATOM 1713 N GLU A 106 7.398 -9.256 6.702 1.00 0.00 N ATOM 1714 CA GLU A 106 6.818 -8.075 6.074 1.00 0.00 C ATOM 1715 C GLU A 106 6.524 -8.332 4.599 1.00 0.00 C ATOM 1716 O GLU A 106 5.695 -7.654 3.993 1.00 0.00 O ATOM 1717 CB GLU A 106 7.762 -6.879 6.216 1.00 0.00 C ATOM 1718 CG GLU A 106 7.594 -6.123 7.523 1.00 0.00 C ATOM 1719 CD GLU A 106 7.928 -4.650 7.392 1.00 0.00 C ATOM 1720 OE1 GLU A 106 8.969 -4.329 6.781 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.148 -3.817 7.900 1.00 0.00 O ATOM 0 H GLU A 106 8.236 -9.072 7.254 1.00 0.00 H new ATOM 0 HA GLU A 106 5.879 -7.850 6.580 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.792 -7.228 6.138 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.594 -6.194 5.385 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.566 -6.229 7.870 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.235 -6.571 8.282 1.00 0.00 H new ATOM 1728 N MET A 107 7.211 -9.316 4.027 1.00 0.00 N ATOM 1729 CA MET A 107 7.023 -9.664 2.624 1.00 0.00 C ATOM 1730 C MET A 107 5.863 -10.640 2.456 1.00 0.00 C ATOM 1731 O MET A 107 4.994 -10.444 1.606 1.00 0.00 O ATOM 1732 CB MET A 107 8.305 -10.273 2.051 1.00 0.00 C ATOM 1733 CG MET A 107 8.101 -10.978 0.720 1.00 0.00 C ATOM 1734 SD MET A 107 9.585 -10.971 -0.304 1.00 0.00 S ATOM 1735 CE MET A 107 9.131 -12.159 -1.565 1.00 0.00 C ATOM 0 H MET A 107 7.903 -9.886 4.514 1.00 0.00 H new ATOM 0 HA MET A 107 6.788 -8.751 2.078 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.047 -9.485 1.925 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.713 -10.983 2.770 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.795 -12.008 0.902 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.288 -10.495 0.178 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.030 -12.519 -2.066 1.00 0.00 H new ATOM 0 HE2 MET A 107 8.611 -12.999 -1.104 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.475 -11.683 -2.294 1.00 0.00 H new ATOM 1745 N GLU A 108 5.857 -11.691 3.270 1.00 0.00 N ATOM 1746 CA GLU A 108 4.803 -12.697 3.209 1.00 0.00 C ATOM 1747 C GLU A 108 3.434 -12.066 3.443 1.00 0.00 C ATOM 1748 O GLU A 108 2.429 -12.510 2.885 1.00 0.00 O ATOM 1749 CB GLU A 108 5.055 -13.794 4.245 1.00 0.00 C ATOM 1750 CG GLU A 108 4.466 -13.488 5.612 1.00 0.00 C ATOM 1751 CD GLU A 108 4.491 -14.686 6.540 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.506 -14.871 7.243 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.495 -15.439 6.564 1.00 0.00 O ATOM 0 H GLU A 108 6.569 -11.868 3.979 1.00 0.00 H new ATOM 0 HA GLU A 108 4.814 -13.138 2.212 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.635 -14.731 3.879 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.130 -13.945 4.347 1.00 0.00 H new ATOM 0 HG2 GLU A 108 5.022 -12.669 6.068 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.437 -13.148 5.492 1.00 0.00 H new ATOM 1760 N LEU A 109 3.401 -11.028 4.272 1.00 0.00 N ATOM 1761 CA LEU A 109 2.155 -10.335 4.581 1.00 0.00 C ATOM 1762 C LEU A 109 1.646 -9.563 3.368 1.00 0.00 C ATOM 1763 O LEU A 109 0.445 -9.532 3.100 1.00 0.00 O ATOM 1764 CB LEU A 109 2.359 -9.380 5.759 1.00 0.00 C ATOM 1765 CG LEU A 109 2.856 -10.014 7.059 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.007 -8.958 8.143 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.907 -11.114 7.512 1.00 0.00 C ATOM 0 H LEU A 109 4.223 -10.648 4.742 1.00 0.00 H new ATOM 0 HA LEU A 109 1.409 -11.082 4.852 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.070 -8.611 5.458 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.413 -8.878 5.962 1.00 0.00 H new ATOM 0 HG LEU A 109 3.834 -10.459 6.874 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.361 -9.427 9.061 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.725 -8.205 7.820 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.043 -8.484 8.327 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.276 -11.554 8.438 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.916 -10.693 7.680 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.849 -11.884 6.743 1.00 0.00 H new ATOM 1779 N TRP A 110 2.566 -8.944 2.638 1.00 0.00 N ATOM 1780 CA TRP A 110 2.210 -8.174 1.452 1.00 0.00 C ATOM 1781 C TRP A 110 1.859 -9.096 0.289 1.00 0.00 C ATOM 1782 O TRP A 110 0.874 -8.876 -0.413 1.00 0.00 O ATOM 1783 CB TRP A 110 3.361 -7.248 1.055 1.00 0.00 C ATOM 1784 CG TRP A 110 3.286 -5.897 1.700 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.220 -5.326 2.516 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.219 -4.950 1.583 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.797 -4.080 2.914 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.573 -3.826 2.354 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.999 -4.941 0.900 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.750 -2.708 2.461 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.184 -3.831 1.008 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.562 -2.726 1.783 1.00 0.00 C ATOM 0 H TRP A 110 3.564 -8.960 2.846 1.00 0.00 H new ATOM 0 HA TRP A 110 1.334 -7.571 1.691 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.306 -7.719 1.324 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.363 -7.126 -0.028 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.153 -5.785 2.806 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.311 -3.447 3.527 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.699 -5.787 0.299 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.039 -1.856 3.059 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.761 -3.814 0.486 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.097 -1.873 1.846 1.00 0.00 H new ATOM 1803 N MET A 111 2.672 -10.129 0.093 1.00 0.00 N ATOM 1804 CA MET A 111 2.446 -11.086 -0.984 1.00 0.00 C ATOM 1805 C MET A 111 1.101 -11.785 -0.816 1.00 0.00 C ATOM 1806 O MET A 111 0.194 -11.615 -1.632 1.00 0.00 O ATOM 1807 CB MET A 111 3.571 -12.121 -1.021 1.00 0.00 C ATOM 1808 CG MET A 111 4.838 -11.618 -1.695 1.00 0.00 C ATOM 1809 SD MET A 111 5.797 -12.945 -2.450 1.00 0.00 S ATOM 1810 CE MET A 111 5.630 -12.537 -4.186 1.00 0.00 C ATOM 0 H MET A 111 3.493 -10.325 0.666 1.00 0.00 H new ATOM 0 HA MET A 111 2.436 -10.538 -1.926 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.808 -12.425 -0.001 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.219 -13.010 -1.545 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.573 -10.887 -2.459 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.455 -11.102 -0.960 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.585 -12.689 -4.689 1.00 0.00 H new ATOM 0 HE2 MET A 111 4.875 -13.179 -4.640 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.328 -11.495 -4.287 1.00 0.00 H new ATOM 1820 N LYS A 112 0.978 -12.573 0.247 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.256 -13.299 0.523 1.00 0.00 C ATOM 1822 C LYS A 112 -1.475 -12.455 0.163 1.00 0.00 C ATOM 1823 O LYS A 112 -2.429 -12.951 -0.437 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.318 -13.698 1.999 1.00 0.00 C ATOM 1825 CG LYS A 112 0.719 -14.736 2.392 1.00 0.00 C ATOM 1826 CD LYS A 112 0.411 -16.091 1.780 1.00 0.00 C ATOM 1827 CE LYS A 112 1.506 -17.103 2.085 1.00 0.00 C ATOM 1828 NZ LYS A 112 1.554 -17.448 3.533 1.00 0.00 N ATOM 0 H LYS A 112 1.718 -12.725 0.932 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.264 -14.199 -0.091 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.180 -12.808 2.613 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.312 -14.087 2.220 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.706 -14.406 2.069 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.752 -14.825 3.478 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.541 -16.457 2.164 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.301 -15.987 0.701 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.337 -18.008 1.501 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.470 -16.699 1.776 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 2.242 -18.213 3.685 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.840 -16.611 4.080 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 0.613 -17.761 3.847 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.437 -11.179 0.532 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.537 -10.267 0.244 1.00 0.00 C ATOM 1844 C ALA A 113 -2.554 -9.876 -1.230 1.00 0.00 C ATOM 1845 O ALA A 113 -3.481 -10.221 -1.962 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.437 -9.027 1.120 1.00 0.00 C ATOM 0 H ALA A 113 -0.656 -10.753 1.031 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.472 -10.782 0.467 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.265 -8.354 0.894 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.482 -9.318 2.169 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.493 -8.519 0.925 1.00 0.00 H new ATOM 1852 N MET A 114 -1.524 -9.154 -1.658 1.00 0.00 N ATOM 1853 CA MET A 114 -1.421 -8.716 -3.045 1.00 0.00 C ATOM 1854 C MET A 114 -1.882 -9.815 -3.997 1.00 0.00 C ATOM 1855 O MET A 114 -2.779 -9.607 -4.815 1.00 0.00 O ATOM 1856 CB MET A 114 0.018 -8.313 -3.370 1.00 0.00 C ATOM 1857 CG MET A 114 0.430 -6.983 -2.760 1.00 0.00 C ATOM 1858 SD MET A 114 1.961 -6.341 -3.462 1.00 0.00 S ATOM 1859 CE MET A 114 2.543 -5.310 -2.118 1.00 0.00 C ATOM 0 H MET A 114 -0.749 -8.860 -1.064 1.00 0.00 H new ATOM 0 HA MET A 114 -2.070 -7.850 -3.176 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.693 -9.091 -3.014 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.136 -8.259 -4.452 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.368 -6.256 -2.912 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.551 -7.104 -1.683 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.591 -5.057 -2.281 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.951 -4.396 -2.078 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.442 -5.849 -1.176 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.262 -10.985 -3.886 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.608 -12.118 -4.738 1.00 0.00 C ATOM 1871 C LEU A 115 -3.116 -12.345 -4.757 1.00 0.00 C ATOM 1872 O LEU A 115 -3.712 -12.539 -5.816 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.896 -13.382 -4.253 1.00 0.00 C ATOM 1874 CG LEU A 115 0.477 -13.657 -4.866 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.374 -13.767 -6.379 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.464 -12.566 -4.475 1.00 0.00 C ATOM 0 H LEU A 115 -0.518 -11.174 -3.215 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.281 -11.891 -5.753 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.782 -13.318 -3.171 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.540 -14.238 -4.456 1.00 0.00 H new ATOM 0 HG LEU A 115 0.843 -14.607 -4.477 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.361 -13.963 -6.798 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.299 -14.584 -6.639 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.014 -12.833 -6.786 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.436 -12.778 -4.920 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.103 -11.603 -4.835 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.561 -12.535 -3.390 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.728 -12.317 -3.577 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.167 -12.516 -3.458 1.00 0.00 C ATOM 1890 C ASP A 116 -5.922 -11.624 -4.439 1.00 0.00 C ATOM 1891 O ASP A 116 -6.885 -12.057 -5.072 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.627 -12.226 -2.028 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.944 -12.898 -1.696 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -7.134 -14.064 -2.102 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.786 -12.259 -1.031 1.00 0.00 O ATOM 0 H ASP A 116 -3.249 -12.158 -2.690 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.386 -13.556 -3.698 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.863 -12.565 -1.328 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.728 -11.149 -1.893 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.479 -10.377 -4.559 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.113 -9.425 -5.463 1.00 0.00 C ATOM 1902 C ALA A 117 -5.659 -9.649 -6.901 1.00 0.00 C ATOM 1903 O ALA A 117 -6.480 -9.753 -7.812 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.807 -8.000 -5.027 1.00 0.00 C ATOM 0 H ALA A 117 -4.684 -10.002 -4.042 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.191 -9.583 -5.421 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.286 -7.299 -5.711 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.186 -7.839 -4.018 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.729 -7.839 -5.040 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.347 -9.722 -7.099 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.785 -9.935 -8.427 1.00 0.00 C ATOM 1912 C ALA A 118 -4.474 -11.096 -9.135 1.00 0.00 C ATOM 1913 O ALA A 118 -4.947 -10.956 -10.263 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.287 -10.186 -8.332 1.00 0.00 C ATOM 0 H ALA A 118 -3.653 -9.637 -6.356 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.955 -9.033 -9.015 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.880 -10.343 -9.331 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.802 -9.324 -7.875 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.104 -11.071 -7.722 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.527 -12.243 -8.466 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.158 -13.430 -9.032 1.00 0.00 C ATOM 1922 C LEU A 119 -6.513 -13.088 -9.642 1.00 0.00 C ATOM 1923 O LEU A 119 -6.980 -13.761 -10.561 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.327 -14.504 -7.955 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.586 -14.398 -7.094 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.757 -15.093 -7.771 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.339 -14.989 -5.713 1.00 0.00 C ATOM 0 H LEU A 119 -4.141 -12.376 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.512 -13.814 -9.821 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.324 -15.480 -8.440 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.458 -14.471 -7.298 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.835 -13.343 -6.977 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.644 -15.007 -7.143 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.949 -14.625 -8.736 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.519 -16.146 -7.919 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.246 -14.905 -5.114 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -6.065 -16.039 -5.811 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.530 -14.446 -5.224 1.00 0.00 H new