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= -13! C(o=-15!,f=-22!) USER MOD Set 1.2: A 94 MET CE :methyl -173:sc= -1.75 (180deg=0) 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+ 162:sc= -0.0119 (180deg=-0.138) USER MOD Single : A 39 LYS NZ :NH3+ -153:sc= -0.161 (180deg=-0.827) USER MOD Single : A 46 SER OG : rot 180:sc= -0.0754 USER MOD Single : A 49 CYS SG : rot 18:sc= 0.405 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.86 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -120:sc= -0.193 (180deg=-0.703) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= -0.0287 X(o=-0.029,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 X(o=0,f=-0.44) 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 -112:sc= 1.76 USER MOD Single : A 101 THR OG1 : rot 119:sc= -0.58 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 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl -105:sc= -0.309 (180deg=-2.35) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl 145:sc= -0.73 (180deg=-2.41!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.521 -3.855 4.538 1.00 0.00 N ATOM 266 CA PRO A 20 -12.579 -4.336 5.553 1.00 0.00 C ATOM 267 C PRO A 20 -11.136 -4.311 5.062 1.00 0.00 C ATOM 268 O PRO A 20 -10.746 -5.105 4.206 1.00 0.00 O ATOM 269 CB PRO A 20 -13.033 -5.775 5.806 1.00 0.00 C ATOM 270 CG PRO A 20 -14.488 -5.775 5.485 1.00 0.00 C ATOM 271 CD PRO A 20 -14.694 -4.736 4.407 1.00 0.00 C ATOM 0 HA PRO A 20 -12.587 -3.710 6.445 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.489 -6.478 5.176 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.856 -6.070 6.840 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.809 -6.758 5.141 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -15.080 -5.538 6.369 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.744 -5.191 3.418 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.624 -4.187 4.553 1.00 0.00 H new ATOM 279 N VAL A 21 -10.345 -3.393 5.610 1.00 0.00 N ATOM 280 CA VAL A 21 -8.943 -3.266 5.229 1.00 0.00 C ATOM 281 C VAL A 21 -8.157 -4.518 5.599 1.00 0.00 C ATOM 282 O VAL A 21 -8.156 -4.944 6.754 1.00 0.00 O ATOM 283 CB VAL A 21 -8.288 -2.044 5.900 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.820 -1.947 5.515 1.00 0.00 C ATOM 285 CG2 VAL A 21 -9.031 -0.770 5.528 1.00 0.00 C ATOM 0 H VAL A 21 -10.651 -2.727 6.319 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.920 -3.133 4.147 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.348 -2.169 6.981 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.374 -1.078 5.998 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.299 -2.849 5.837 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.734 -1.845 4.433 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.555 0.083 6.011 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.005 -0.636 4.447 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -10.067 -0.843 5.860 1.00 0.00 H new ATOM 295 N VAL A 22 -7.488 -5.105 4.611 1.00 0.00 N ATOM 296 CA VAL A 22 -6.696 -6.308 4.834 1.00 0.00 C ATOM 297 C VAL A 22 -5.475 -6.011 5.697 1.00 0.00 C ATOM 298 O VAL A 22 -5.297 -6.602 6.762 1.00 0.00 O ATOM 299 CB VAL A 22 -6.232 -6.928 3.502 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.428 -8.195 3.754 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.425 -7.214 2.603 1.00 0.00 C ATOM 0 H VAL A 22 -7.479 -4.766 3.649 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.339 -7.019 5.353 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.587 -6.212 2.993 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -5.109 -8.619 2.802 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.552 -7.956 4.357 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -6.047 -8.919 4.284 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.078 -7.652 1.667 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -8.098 -7.911 3.102 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.955 -6.284 2.395 1.00 0.00 H new ATOM 311 N ARG A 23 -4.637 -5.091 5.230 1.00 0.00 N ATOM 312 CA ARG A 23 -3.432 -4.716 5.958 1.00 0.00 C ATOM 313 C ARG A 23 -2.826 -3.437 5.386 1.00 0.00 C ATOM 314 O ARG A 23 -2.686 -3.295 4.171 1.00 0.00 O ATOM 315 CB ARG A 23 -2.404 -5.848 5.905 1.00 0.00 C ATOM 316 CG ARG A 23 -1.294 -5.712 6.934 1.00 0.00 C ATOM 317 CD ARG A 23 -0.641 -7.053 7.229 1.00 0.00 C ATOM 318 NE ARG A 23 -1.366 -7.802 8.252 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.259 -7.561 9.554 1.00 0.00 C ATOM 320 NH1 ARG A 23 -0.461 -6.596 9.990 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.952 -8.286 10.423 1.00 0.00 N ATOM 0 H ARG A 23 -4.771 -4.592 4.351 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.708 -4.534 6.997 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.915 -6.799 6.058 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.962 -5.880 4.909 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.542 -5.012 6.569 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.699 -5.293 7.855 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.594 -7.642 6.313 1.00 0.00 H new ATOM 0 HD3 ARG A 23 0.386 -6.892 7.557 1.00 0.00 H new ATOM 0 HE ARG A 23 -1.989 -8.551 7.950 1.00 0.00 H new ATOM 0 HH11 ARG A 23 0.073 -6.036 9.325 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.381 -6.413 10.990 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -2.567 -9.029 10.091 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.869 -8.100 11.423 1.00 0.00 H new ATOM 335 N ARG A 24 -2.471 -2.510 6.269 1.00 0.00 N ATOM 336 CA ARG A 24 -1.882 -1.243 5.852 1.00 0.00 C ATOM 337 C ARG A 24 -0.555 -1.000 6.563 1.00 0.00 C ATOM 338 O ARG A 24 -0.491 -0.978 7.792 1.00 0.00 O ATOM 339 CB ARG A 24 -2.846 -0.090 6.139 1.00 0.00 C ATOM 340 CG ARG A 24 -3.512 -0.178 7.503 1.00 0.00 C ATOM 341 CD ARG A 24 -4.108 1.158 7.919 1.00 0.00 C ATOM 342 NE ARG A 24 -4.118 1.325 9.369 1.00 0.00 N ATOM 343 CZ ARG A 24 -5.038 0.791 10.165 1.00 0.00 C ATOM 344 NH1 ARG A 24 -6.018 0.059 9.652 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.980 0.988 11.475 1.00 0.00 N ATOM 0 H ARG A 24 -2.581 -2.612 7.278 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.695 -1.293 4.779 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.303 0.852 6.069 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.617 -0.071 5.368 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.296 -0.935 7.478 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.782 -0.499 8.246 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.536 1.967 7.465 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.126 1.235 7.538 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.378 1.883 9.795 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -6.066 -0.095 8.645 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.723 -0.350 10.265 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.228 1.550 11.873 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.687 0.577 12.084 1.00 0.00 H new ATOM 359 N GLY A 25 0.505 -0.817 5.781 1.00 0.00 N ATOM 360 CA GLY A 25 1.817 -0.578 6.354 1.00 0.00 C ATOM 361 C GLY A 25 2.736 0.168 5.407 1.00 0.00 C ATOM 362 O GLY A 25 2.540 0.140 4.191 1.00 0.00 O ATOM 0 H GLY A 25 0.478 -0.830 4.761 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.709 -0.007 7.276 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.272 -1.531 6.622 1.00 0.00 H new ATOM 366 N TRP A 26 3.739 0.837 5.963 1.00 0.00 N ATOM 367 CA TRP A 26 4.691 1.595 5.159 1.00 0.00 C ATOM 368 C TRP A 26 5.500 0.670 4.256 1.00 0.00 C ATOM 369 O TRP A 26 6.442 0.016 4.706 1.00 0.00 O ATOM 370 CB TRP A 26 5.630 2.395 6.063 1.00 0.00 C ATOM 371 CG TRP A 26 4.966 3.567 6.720 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.389 3.594 7.957 1.00 0.00 C ATOM 373 CD2 TRP A 26 4.809 4.881 6.173 1.00 0.00 C ATOM 374 NE1 TRP A 26 3.883 4.846 8.213 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.129 5.654 7.134 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.180 5.481 4.966 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.811 6.993 6.923 1.00 0.00 C ATOM 378 CZ3 TRP A 26 4.863 6.810 4.758 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.185 7.554 5.733 1.00 0.00 C ATOM 0 H TRP A 26 3.914 0.870 6.967 1.00 0.00 H new ATOM 0 HA TRP A 26 4.129 2.285 4.530 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.031 1.735 6.832 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.476 2.749 5.474 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.338 2.755 8.635 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.402 5.128 9.067 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.705 4.916 4.210 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.288 7.568 7.672 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.143 7.283 3.828 1.00 0.00 H new ATOM 0 HH2 TRP A 26 3.953 8.591 5.541 1.00 0.00 H new ATOM 390 N LEU A 27 5.128 0.620 2.982 1.00 0.00 N ATOM 391 CA LEU A 27 5.820 -0.226 2.015 1.00 0.00 C ATOM 392 C LEU A 27 6.696 0.611 1.088 1.00 0.00 C ATOM 393 O LEU A 27 6.412 1.783 0.840 1.00 0.00 O ATOM 394 CB LEU A 27 4.809 -1.028 1.194 1.00 0.00 C ATOM 395 CG LEU A 27 5.396 -1.965 0.137 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.959 -3.218 0.788 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.341 -2.327 -0.898 1.00 0.00 C ATOM 0 H LEU A 27 4.351 1.155 2.594 1.00 0.00 H new ATOM 0 HA LEU A 27 6.460 -0.916 2.565 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.203 -1.620 1.879 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.137 -0.328 0.697 1.00 0.00 H new ATOM 0 HG LEU A 27 6.211 -1.447 -0.369 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.372 -3.873 0.021 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.745 -2.941 1.490 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.164 -3.740 1.320 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.776 -2.994 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.506 -2.826 -0.407 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.985 -1.420 -1.387 1.00 0.00 H new ATOM 409 N TYR A 28 7.759 0.001 0.578 1.00 0.00 N ATOM 410 CA TYR A 28 8.677 0.690 -0.322 1.00 0.00 C ATOM 411 C TYR A 28 8.330 0.401 -1.779 1.00 0.00 C ATOM 412 O TYR A 28 8.071 -0.743 -2.153 1.00 0.00 O ATOM 413 CB TYR A 28 10.119 0.267 -0.035 1.00 0.00 C ATOM 414 CG TYR A 28 10.514 0.410 1.417 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.944 1.630 1.924 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.457 -0.676 2.282 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.307 1.764 3.250 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.817 -0.551 3.610 1.00 0.00 C ATOM 419 CZ TYR A 28 11.242 0.671 4.089 1.00 0.00 C ATOM 420 OH TYR A 28 11.601 0.802 5.411 1.00 0.00 O ATOM 0 H TYR A 28 8.007 -0.969 0.772 1.00 0.00 H new ATOM 0 HA TYR A 28 8.579 1.762 -0.150 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.251 -0.772 -0.338 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.793 0.866 -0.647 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.995 2.488 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.126 -1.634 1.910 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.640 2.719 3.628 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.766 -1.405 4.269 1.00 0.00 H new ATOM 0 HH TYR A 28 11.497 -0.060 5.865 1.00 0.00 H new ATOM 430 N LYS A 29 8.329 1.446 -2.599 1.00 0.00 N ATOM 431 CA LYS A 29 8.017 1.308 -4.017 1.00 0.00 C ATOM 432 C LYS A 29 9.055 2.025 -4.875 1.00 0.00 C ATOM 433 O LYS A 29 9.584 3.065 -4.484 1.00 0.00 O ATOM 434 CB LYS A 29 6.623 1.866 -4.310 1.00 0.00 C ATOM 435 CG LYS A 29 6.317 1.991 -5.792 1.00 0.00 C ATOM 436 CD LYS A 29 4.831 1.842 -6.070 1.00 0.00 C ATOM 437 CE LYS A 29 4.117 3.185 -6.018 1.00 0.00 C ATOM 438 NZ LYS A 29 4.442 4.032 -7.198 1.00 0.00 N ATOM 0 H LYS A 29 8.541 2.400 -2.306 1.00 0.00 H new ATOM 0 HA LYS A 29 8.036 0.247 -4.266 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.877 1.220 -3.847 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.528 2.847 -3.844 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.660 2.960 -6.155 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.869 1.230 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.687 1.390 -7.051 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.389 1.165 -5.339 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.040 3.022 -5.973 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.398 3.711 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 3.730 4.784 -7.292 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.382 4.459 -7.071 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.442 3.446 -8.057 1.00 0.00 H new ATOM 571 N TRP A 38 14.409 3.096 -3.573 1.00 0.00 N ATOM 572 CA TRP A 38 13.448 2.554 -2.619 1.00 0.00 C ATOM 573 C TRP A 38 13.026 3.616 -1.609 1.00 0.00 C ATOM 574 O TRP A 38 13.679 3.806 -0.584 1.00 0.00 O ATOM 575 CB TRP A 38 14.045 1.349 -1.891 1.00 0.00 C ATOM 576 CG TRP A 38 14.517 0.270 -2.818 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.807 0.012 -3.186 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.704 -0.695 -3.495 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.844 -1.055 -4.051 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.568 -1.507 -4.256 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.331 -0.953 -3.530 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.101 -2.557 -5.043 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.870 -1.995 -4.312 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.752 -2.787 -5.059 1.00 0.00 C ATOM 0 HA TRP A 38 12.565 2.234 -3.172 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.882 1.682 -1.277 1.00 0.00 H new ATOM 0 HB3 TRP A 38 13.297 0.935 -1.214 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.670 0.565 -2.847 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.686 -1.447 -4.472 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.643 -0.349 -2.957 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.779 -3.168 -5.620 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.811 -2.203 -4.348 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.360 -3.595 -5.659 1.00 0.00 H new ATOM 595 N LYS A 39 11.929 4.305 -1.905 1.00 0.00 N ATOM 596 CA LYS A 39 11.417 5.346 -1.022 1.00 0.00 C ATOM 597 C LYS A 39 10.318 4.801 -0.116 1.00 0.00 C ATOM 598 O LYS A 39 9.592 3.880 -0.489 1.00 0.00 O ATOM 599 CB LYS A 39 10.880 6.521 -1.843 1.00 0.00 C ATOM 600 CG LYS A 39 11.803 6.946 -2.972 1.00 0.00 C ATOM 601 CD LYS A 39 13.140 7.437 -2.445 1.00 0.00 C ATOM 602 CE LYS A 39 13.114 8.932 -2.165 1.00 0.00 C ATOM 603 NZ LYS A 39 12.862 9.723 -3.400 1.00 0.00 N ATOM 0 H LYS A 39 11.377 4.161 -2.751 1.00 0.00 H new ATOM 0 HA LYS A 39 12.239 5.693 -0.396 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.911 6.249 -2.260 1.00 0.00 H new ATOM 0 HB3 LYS A 39 10.715 7.371 -1.181 1.00 0.00 H new ATOM 0 HG2 LYS A 39 11.964 6.106 -3.647 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.328 7.736 -3.554 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.392 6.899 -1.531 1.00 0.00 H new ATOM 0 HD3 LYS A 39 13.922 7.215 -3.171 1.00 0.00 H new ATOM 0 HE2 LYS A 39 12.340 9.150 -1.430 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.065 9.236 -1.727 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.285 10.668 -3.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 13.288 9.238 -4.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.837 9.816 -3.549 1.00 0.00 H new ATOM 617 N LYS A 40 10.201 5.376 1.076 1.00 0.00 N ATOM 618 CA LYS A 40 9.189 4.950 2.035 1.00 0.00 C ATOM 619 C LYS A 40 7.859 5.647 1.769 1.00 0.00 C ATOM 620 O LYS A 40 7.778 6.876 1.782 1.00 0.00 O ATOM 621 CB LYS A 40 9.654 5.243 3.463 1.00 0.00 C ATOM 622 CG LYS A 40 8.699 4.738 4.530 1.00 0.00 C ATOM 623 CD LYS A 40 9.035 3.318 4.953 1.00 0.00 C ATOM 624 CE LYS A 40 8.652 3.062 6.402 1.00 0.00 C ATOM 625 NZ LYS A 40 9.763 3.394 7.336 1.00 0.00 N ATOM 0 H LYS A 40 10.795 6.139 1.401 1.00 0.00 H new ATOM 0 HA LYS A 40 9.045 3.876 1.920 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.632 4.788 3.618 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.781 6.319 3.581 1.00 0.00 H new ATOM 0 HG2 LYS A 40 8.741 5.396 5.398 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.677 4.774 4.151 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.513 2.612 4.307 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.102 3.141 4.821 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.774 3.656 6.656 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.375 2.015 6.525 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.463 3.206 8.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.593 2.809 7.110 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.011 4.399 7.237 1.00 0.00 H new ATOM 639 N ARG A 41 6.818 4.856 1.529 1.00 0.00 N ATOM 640 CA ARG A 41 5.492 5.399 1.260 1.00 0.00 C ATOM 641 C ARG A 41 4.421 4.612 2.010 1.00 0.00 C ATOM 642 O ARG A 41 4.614 3.442 2.342 1.00 0.00 O ATOM 643 CB ARG A 41 5.202 5.372 -0.241 1.00 0.00 C ATOM 644 CG ARG A 41 5.718 6.595 -0.983 1.00 0.00 C ATOM 645 CD ARG A 41 4.738 7.755 -0.895 1.00 0.00 C ATOM 646 NE ARG A 41 5.337 9.012 -1.335 1.00 0.00 N ATOM 647 CZ ARG A 41 4.640 10.122 -1.551 1.00 0.00 C ATOM 648 NH1 ARG A 41 3.327 10.130 -1.367 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.257 11.227 -1.951 1.00 0.00 N ATOM 0 H ARG A 41 6.867 3.837 1.515 1.00 0.00 H new ATOM 0 HA ARG A 41 5.471 6.432 1.609 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.652 4.478 -0.673 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.126 5.292 -0.393 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.679 6.897 -0.566 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.890 6.341 -2.029 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.862 7.537 -1.507 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.391 7.859 0.133 1.00 0.00 H new ATOM 0 HE ARG A 41 6.346 9.039 -1.485 1.00 0.00 H new ATOM 0 HH11 ARG A 41 2.850 9.283 -1.059 1.00 0.00 H new ATOM 0 HH12 ARG A 41 2.794 10.984 -1.533 1.00 0.00 H new ATOM 0 HH21 ARG A 41 6.267 11.224 -2.093 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.721 12.079 -2.117 1.00 0.00 H new ATOM 663 N TRP A 42 3.293 5.262 2.274 1.00 0.00 N ATOM 664 CA TRP A 42 2.191 4.624 2.985 1.00 0.00 C ATOM 665 C TRP A 42 1.281 3.875 2.018 1.00 0.00 C ATOM 666 O TRP A 42 0.745 4.459 1.076 1.00 0.00 O ATOM 667 CB TRP A 42 1.385 5.667 3.760 1.00 0.00 C ATOM 668 CG TRP A 42 0.367 5.066 4.681 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.978 5.307 4.685 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.611 4.126 5.733 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.584 4.573 5.677 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.631 3.840 6.333 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.758 3.496 6.225 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.755 2.953 7.399 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.632 2.617 7.284 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.383 2.351 7.861 1.00 0.00 C ATOM 0 H TRP A 42 3.118 6.230 2.006 1.00 0.00 H new ATOM 0 HA TRP A 42 2.612 3.906 3.688 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.069 6.286 4.340 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.881 6.325 3.053 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.490 5.976 4.009 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.582 4.574 5.890 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.725 3.693 5.786 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.717 2.747 7.846 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.512 2.126 7.674 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.318 1.657 8.686 1.00 0.00 H new ATOM 687 N PHE A 43 1.108 2.579 2.257 1.00 0.00 N ATOM 688 CA PHE A 43 0.262 1.751 1.406 1.00 0.00 C ATOM 689 C PHE A 43 -0.884 1.140 2.208 1.00 0.00 C ATOM 690 O PHE A 43 -0.853 1.118 3.439 1.00 0.00 O ATOM 691 CB PHE A 43 1.090 0.642 0.753 1.00 0.00 C ATOM 692 CG PHE A 43 1.865 1.101 -0.449 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.140 1.625 -0.309 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.318 1.009 -1.719 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.856 2.049 -1.412 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.030 1.431 -2.826 1.00 0.00 C ATOM 697 CZ PHE A 43 3.299 1.952 -2.673 1.00 0.00 C ATOM 0 H PHE A 43 1.543 2.080 3.033 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.161 2.386 0.628 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.784 0.236 1.489 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.426 -0.171 0.459 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.580 1.703 0.674 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.325 0.603 -1.845 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.849 2.455 -1.289 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.593 1.353 -3.811 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.856 2.283 -3.537 1.00 0.00 H new ATOM 707 N VAL A 44 -1.895 0.646 1.501 1.00 0.00 N ATOM 708 CA VAL A 44 -3.051 0.035 2.146 1.00 0.00 C ATOM 709 C VAL A 44 -3.708 -0.995 1.233 1.00 0.00 C ATOM 710 O VAL A 44 -4.068 -0.693 0.095 1.00 0.00 O ATOM 711 CB VAL A 44 -4.097 1.093 2.543 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.370 0.426 3.041 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.530 2.032 3.597 1.00 0.00 C ATOM 0 H VAL A 44 -1.937 0.657 0.482 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.686 -0.460 3.046 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.346 1.682 1.660 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -6.097 1.190 3.317 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.785 -0.202 2.252 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.142 -0.189 3.912 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.282 2.773 3.866 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.251 1.460 4.482 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.649 2.536 3.199 1.00 0.00 H new ATOM 723 N LEU A 45 -3.862 -2.213 1.741 1.00 0.00 N ATOM 724 CA LEU A 45 -4.477 -3.290 0.972 1.00 0.00 C ATOM 725 C LEU A 45 -5.956 -3.430 1.317 1.00 0.00 C ATOM 726 O LEU A 45 -6.315 -4.055 2.315 1.00 0.00 O ATOM 727 CB LEU A 45 -3.753 -4.611 1.237 1.00 0.00 C ATOM 728 CG LEU A 45 -3.750 -5.618 0.086 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.097 -6.316 -0.016 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.404 -4.928 -1.225 1.00 0.00 C ATOM 0 H LEU A 45 -3.570 -2.480 2.681 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.391 -3.042 -0.086 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.719 -4.389 1.501 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.210 -5.084 2.106 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.988 -6.371 0.289 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.076 -7.029 -0.840 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.305 -6.844 0.915 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.877 -5.576 -0.196 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.406 -5.660 -2.033 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.142 -4.154 -1.434 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.415 -4.476 -1.148 1.00 0.00 H new ATOM 742 N SER A 46 -6.811 -2.845 0.484 1.00 0.00 N ATOM 743 CA SER A 46 -8.252 -2.903 0.702 1.00 0.00 C ATOM 744 C SER A 46 -8.984 -3.245 -0.592 1.00 0.00 C ATOM 745 O SER A 46 -8.469 -3.020 -1.688 1.00 0.00 O ATOM 746 CB SER A 46 -8.760 -1.569 1.252 1.00 0.00 C ATOM 747 OG SER A 46 -10.176 -1.529 1.265 1.00 0.00 O ATOM 0 H SER A 46 -6.531 -2.326 -0.348 1.00 0.00 H new ATOM 0 HA SER A 46 -8.453 -3.688 1.431 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.380 -1.420 2.263 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.376 -0.751 0.643 1.00 0.00 H new ATOM 0 HG SER A 46 -10.476 -0.667 1.622 1.00 0.00 H new ATOM 753 N ASP A 47 -10.188 -3.789 -0.457 1.00 0.00 N ATOM 754 CA ASP A 47 -10.993 -4.161 -1.615 1.00 0.00 C ATOM 755 C ASP A 47 -10.128 -4.806 -2.694 1.00 0.00 C ATOM 756 O ASP A 47 -10.313 -4.554 -3.885 1.00 0.00 O ATOM 757 CB ASP A 47 -11.707 -2.934 -2.183 1.00 0.00 C ATOM 758 CG ASP A 47 -12.872 -3.305 -3.079 1.00 0.00 C ATOM 759 OD1 ASP A 47 -12.837 -4.402 -3.675 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.820 -2.499 -3.183 1.00 0.00 O ATOM 0 H ASP A 47 -10.628 -3.982 0.442 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.738 -4.887 -1.290 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.067 -2.314 -1.362 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.995 -2.332 -2.748 1.00 0.00 H new ATOM 765 N LEU A 48 -9.182 -5.637 -2.269 1.00 0.00 N ATOM 766 CA LEU A 48 -8.287 -6.317 -3.198 1.00 0.00 C ATOM 767 C LEU A 48 -7.657 -5.326 -4.172 1.00 0.00 C ATOM 768 O LEU A 48 -7.566 -5.591 -5.371 1.00 0.00 O ATOM 769 CB LEU A 48 -9.047 -7.396 -3.972 1.00 0.00 C ATOM 770 CG LEU A 48 -9.583 -8.564 -3.143 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.442 -9.447 -2.664 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.395 -8.051 -1.962 1.00 0.00 C ATOM 0 H LEU A 48 -9.015 -5.856 -1.287 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.491 -6.786 -2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.886 -6.925 -4.484 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.387 -7.796 -4.742 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.237 -9.163 -3.776 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -8.843 -10.273 -2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -7.902 -9.843 -3.524 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -7.761 -8.860 -2.048 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.769 -8.896 -1.383 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -9.763 -7.428 -1.329 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.236 -7.461 -2.327 1.00 0.00 H new ATOM 784 N CYS A 49 -7.223 -4.185 -3.648 1.00 0.00 N ATOM 785 CA CYS A 49 -6.600 -3.154 -4.470 1.00 0.00 C ATOM 786 C CYS A 49 -5.509 -2.424 -3.693 1.00 0.00 C ATOM 787 O CYS A 49 -5.447 -2.504 -2.466 1.00 0.00 O ATOM 788 CB CYS A 49 -7.651 -2.157 -4.958 1.00 0.00 C ATOM 789 SG CYS A 49 -7.071 -1.053 -6.267 1.00 0.00 S ATOM 0 H CYS A 49 -7.291 -3.951 -2.658 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.143 -3.639 -5.333 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.518 -2.709 -5.321 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.986 -1.556 -4.113 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.999 -1.549 -6.810 1.00 0.00 H new ATOM 795 N LEU A 50 -4.651 -1.712 -4.415 1.00 0.00 N ATOM 796 CA LEU A 50 -3.561 -0.968 -3.794 1.00 0.00 C ATOM 797 C LEU A 50 -3.901 0.516 -3.698 1.00 0.00 C ATOM 798 O LEU A 50 -4.381 1.117 -4.659 1.00 0.00 O ATOM 799 CB LEU A 50 -2.269 -1.157 -4.591 1.00 0.00 C ATOM 800 CG LEU A 50 -1.389 -2.336 -4.173 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.118 -2.375 -5.007 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.054 -2.252 -2.691 1.00 0.00 C ATOM 0 H LEU A 50 -4.689 -1.634 -5.431 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.418 -1.355 -2.785 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.529 -1.278 -5.643 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.680 -0.243 -4.512 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.943 -3.258 -4.348 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.496 -3.220 -4.696 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.377 -2.483 -6.060 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.440 -1.449 -4.864 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.427 -3.099 -2.411 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.520 -1.323 -2.491 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.975 -2.274 -2.108 1.00 0.00 H new ATOM 814 N PHE A 51 -3.645 1.102 -2.533 1.00 0.00 N ATOM 815 CA PHE A 51 -3.922 2.516 -2.312 1.00 0.00 C ATOM 816 C PHE A 51 -2.837 3.155 -1.450 1.00 0.00 C ATOM 817 O PHE A 51 -2.473 2.628 -0.398 1.00 0.00 O ATOM 818 CB PHE A 51 -5.288 2.692 -1.644 1.00 0.00 C ATOM 819 CG PHE A 51 -6.440 2.292 -2.522 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.766 3.040 -3.642 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.196 1.170 -2.226 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.825 2.675 -4.452 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.256 0.800 -3.033 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.572 1.554 -4.146 1.00 0.00 C ATOM 0 H PHE A 51 -3.246 0.619 -1.728 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.932 3.014 -3.282 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.316 2.100 -0.730 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.409 3.735 -1.352 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.186 3.918 -3.885 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.955 0.578 -1.356 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.068 3.265 -5.323 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.837 -0.078 -2.793 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.401 1.268 -4.776 1.00 0.00 H new ATOM 834 N TYR A 52 -2.323 4.293 -1.904 1.00 0.00 N ATOM 835 CA TYR A 52 -1.277 5.003 -1.177 1.00 0.00 C ATOM 836 C TYR A 52 -1.634 6.477 -1.010 1.00 0.00 C ATOM 837 O TYR A 52 -2.442 7.021 -1.763 1.00 0.00 O ATOM 838 CB TYR A 52 0.060 4.870 -1.907 1.00 0.00 C ATOM 839 CG TYR A 52 -0.024 5.174 -3.386 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.171 6.480 -3.839 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.042 4.157 -4.330 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.249 6.763 -5.189 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.034 4.431 -5.681 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.180 5.735 -6.106 1.00 0.00 C ATOM 845 OH TYR A 52 -0.257 6.012 -7.452 1.00 0.00 O ATOM 0 H TYR A 52 -2.614 4.743 -2.772 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.189 4.555 -0.187 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.784 5.543 -1.447 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.438 3.856 -1.774 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.225 7.287 -3.123 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.155 3.134 -4.001 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.363 7.783 -5.524 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.021 3.628 -6.401 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.191 5.178 -7.962 1.00 0.00 H new ATOM 855 N TYR A 53 -1.025 7.117 -0.019 1.00 0.00 N ATOM 856 CA TYR A 53 -1.278 8.528 0.250 1.00 0.00 C ATOM 857 C TYR A 53 0.018 9.261 0.577 1.00 0.00 C ATOM 858 O TYR A 53 1.094 8.663 0.603 1.00 0.00 O ATOM 859 CB TYR A 53 -2.269 8.678 1.406 1.00 0.00 C ATOM 860 CG TYR A 53 -3.339 7.611 1.429 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.014 6.277 1.636 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.677 7.938 1.246 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.989 5.298 1.657 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.659 6.967 1.267 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.310 5.648 1.472 1.00 0.00 C ATOM 866 OH TYR A 53 -6.285 4.677 1.494 1.00 0.00 O ATOM 0 H TYR A 53 -0.352 6.682 0.612 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.708 8.972 -0.648 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.722 8.652 2.348 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.745 9.656 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.981 6.000 1.783 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.954 8.969 1.085 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.718 4.265 1.817 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.694 7.239 1.124 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.162 5.090 1.349 1.00 0.00 H new ATOM 876 N ARG A 54 -0.092 10.562 0.827 1.00 0.00 N ATOM 877 CA ARG A 54 1.071 11.379 1.152 1.00 0.00 C ATOM 878 C ARG A 54 1.800 10.825 2.372 1.00 0.00 C ATOM 879 O ARG A 54 3.023 10.684 2.366 1.00 0.00 O ATOM 880 CB ARG A 54 0.647 12.826 1.411 1.00 0.00 C ATOM 881 CG ARG A 54 0.400 13.625 0.142 1.00 0.00 C ATOM 882 CD ARG A 54 0.098 15.083 0.451 1.00 0.00 C ATOM 883 NE ARG A 54 -0.146 15.861 -0.760 1.00 0.00 N ATOM 884 CZ ARG A 54 -0.355 17.173 -0.762 1.00 0.00 C ATOM 885 NH1 ARG A 54 -0.349 17.850 0.378 1.00 0.00 N ATOM 886 NH2 ARG A 54 -0.569 17.810 -1.906 1.00 0.00 N ATOM 0 H ARG A 54 -0.975 11.073 0.811 1.00 0.00 H new ATOM 0 HA ARG A 54 1.752 11.354 0.301 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.261 12.827 2.013 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.420 13.322 1.998 1.00 0.00 H new ATOM 0 HG2 ARG A 54 1.275 13.563 -0.504 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.434 13.188 -0.408 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -0.775 15.142 1.102 1.00 0.00 H new ATOM 0 HD3 ARG A 54 0.934 15.518 0.999 1.00 0.00 H new ATOM 0 HE ARG A 54 -0.157 15.370 -1.654 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -0.184 17.364 1.259 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -0.510 18.857 0.374 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -0.573 17.292 -2.785 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -0.729 18.817 -1.907 1.00 0.00 H new ATOM 900 N ASP A 55 1.042 10.513 3.417 1.00 0.00 N ATOM 901 CA ASP A 55 1.616 9.974 4.645 1.00 0.00 C ATOM 902 C ASP A 55 0.592 9.132 5.400 1.00 0.00 C ATOM 903 O ASP A 55 -0.536 8.953 4.942 1.00 0.00 O ATOM 904 CB ASP A 55 2.120 11.109 5.539 1.00 0.00 C ATOM 905 CG ASP A 55 3.510 11.576 5.152 1.00 0.00 C ATOM 906 OD1 ASP A 55 4.373 10.714 4.886 1.00 0.00 O ATOM 907 OD2 ASP A 55 3.734 12.804 5.116 1.00 0.00 O ATOM 0 H ASP A 55 0.028 10.624 3.439 1.00 0.00 H new ATOM 0 HA ASP A 55 2.456 9.335 4.374 1.00 0.00 H new ATOM 0 HB2 ASP A 55 1.428 11.949 5.480 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.128 10.775 6.576 1.00 0.00 H new ATOM 912 N GLU A 56 0.994 8.618 6.558 1.00 0.00 N ATOM 913 CA GLU A 56 0.111 7.793 7.374 1.00 0.00 C ATOM 914 C GLU A 56 -1.246 8.466 7.558 1.00 0.00 C ATOM 915 O GLU A 56 -2.277 7.798 7.639 1.00 0.00 O ATOM 916 CB GLU A 56 0.748 7.523 8.739 1.00 0.00 C ATOM 917 CG GLU A 56 1.131 8.785 9.493 1.00 0.00 C ATOM 918 CD GLU A 56 1.882 8.493 10.777 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.063 8.094 10.695 1.00 0.00 O ATOM 920 OE2 GLU A 56 1.290 8.662 11.864 1.00 0.00 O ATOM 0 H GLU A 56 1.924 8.758 6.952 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.040 6.845 6.857 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.053 6.944 9.347 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.638 6.909 8.600 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.748 9.414 8.851 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.230 9.353 9.725 1.00 0.00 H new ATOM 927 N LYS A 57 -1.238 9.793 7.622 1.00 0.00 N ATOM 928 CA LYS A 57 -2.467 10.559 7.796 1.00 0.00 C ATOM 929 C LYS A 57 -3.539 10.096 6.814 1.00 0.00 C ATOM 930 O LYS A 57 -4.732 10.163 7.108 1.00 0.00 O ATOM 931 CB LYS A 57 -2.193 12.052 7.602 1.00 0.00 C ATOM 932 CG LYS A 57 -1.192 12.620 8.593 1.00 0.00 C ATOM 933 CD LYS A 57 -1.883 13.186 9.822 1.00 0.00 C ATOM 934 CE LYS A 57 -1.992 12.148 10.928 1.00 0.00 C ATOM 935 NZ LYS A 57 -0.653 11.710 11.412 1.00 0.00 N ATOM 0 H LYS A 57 -0.393 10.361 7.556 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.831 10.391 8.810 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.823 12.217 6.590 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.131 12.600 7.691 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.494 11.839 8.894 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.606 13.403 8.111 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.328 14.051 10.187 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.879 13.537 9.552 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -2.561 12.562 11.760 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.546 11.284 10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.548 10.686 11.264 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 0.089 12.213 10.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -0.563 11.925 12.426 1.00 0.00 H new ATOM 949 N GLU A 58 -3.105 9.627 5.648 1.00 0.00 N ATOM 950 CA GLU A 58 -4.029 9.153 4.625 1.00 0.00 C ATOM 951 C GLU A 58 -4.967 10.271 4.179 1.00 0.00 C ATOM 952 O GLU A 58 -6.176 10.072 4.066 1.00 0.00 O ATOM 953 CB GLU A 58 -4.842 7.968 5.150 1.00 0.00 C ATOM 954 CG GLU A 58 -4.016 6.712 5.369 1.00 0.00 C ATOM 955 CD GLU A 58 -4.583 5.824 6.460 1.00 0.00 C ATOM 956 OE1 GLU A 58 -4.852 6.340 7.565 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.757 4.614 6.208 1.00 0.00 O ATOM 0 H GLU A 58 -2.120 9.565 5.389 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.443 8.829 3.765 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.314 8.251 6.091 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.643 7.747 4.445 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -3.964 6.149 4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -2.995 6.993 5.628 1.00 0.00 H new ATOM 964 N GLU A 59 -4.400 11.447 3.929 1.00 0.00 N ATOM 965 CA GLU A 59 -5.186 12.597 3.497 1.00 0.00 C ATOM 966 C GLU A 59 -5.269 12.658 1.974 1.00 0.00 C ATOM 967 O GLU A 59 -4.382 13.198 1.315 1.00 0.00 O ATOM 968 CB GLU A 59 -4.576 13.892 4.038 1.00 0.00 C ATOM 969 CG GLU A 59 -5.081 14.271 5.420 1.00 0.00 C ATOM 970 CD GLU A 59 -4.381 15.493 5.982 1.00 0.00 C ATOM 971 OE1 GLU A 59 -4.769 16.621 5.613 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.445 15.321 6.790 1.00 0.00 O ATOM 0 H GLU A 59 -3.400 11.628 4.018 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.195 12.485 3.894 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.492 13.786 4.073 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.795 14.704 3.345 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -6.153 14.461 5.371 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.937 13.430 6.099 1.00 0.00 H new ATOM 979 N GLY A 60 -6.343 12.100 1.423 1.00 0.00 N ATOM 980 CA GLY A 60 -6.522 12.102 -0.017 1.00 0.00 C ATOM 981 C GLY A 60 -5.560 11.167 -0.722 1.00 0.00 C ATOM 982 O GLY A 60 -4.353 11.211 -0.482 1.00 0.00 O ATOM 0 H GLY A 60 -7.091 11.647 1.948 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.546 11.811 -0.253 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.383 13.115 -0.396 1.00 0.00 H new ATOM 986 N ILE A 61 -6.094 10.317 -1.593 1.00 0.00 N ATOM 987 CA ILE A 61 -5.274 9.367 -2.334 1.00 0.00 C ATOM 988 C ILE A 61 -4.587 10.041 -3.518 1.00 0.00 C ATOM 989 O ILE A 61 -5.231 10.716 -4.322 1.00 0.00 O ATOM 990 CB ILE A 61 -6.111 8.181 -2.848 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.726 7.417 -1.675 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.253 7.257 -3.699 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.644 6.292 -2.100 1.00 0.00 C ATOM 0 H ILE A 61 -7.091 10.267 -1.803 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.519 8.995 -1.642 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.919 8.567 -3.469 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.925 7.008 -1.059 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.285 8.114 -1.051 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.859 6.424 -4.055 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.859 7.810 -4.552 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.426 6.875 -3.101 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.044 5.795 -1.216 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.466 6.696 -2.691 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.085 5.573 -2.699 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.276 9.851 -3.620 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.500 10.438 -4.707 1.00 0.00 C ATOM 1007 C LEU A 62 -2.631 9.608 -5.980 1.00 0.00 C ATOM 1008 O LEU A 62 -2.575 10.139 -7.088 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.028 10.550 -4.306 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.753 10.807 -2.824 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.725 11.084 -2.596 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.599 11.966 -2.318 1.00 0.00 C ATOM 0 H LEU A 62 -2.728 9.295 -2.963 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.893 11.435 -4.904 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.523 9.628 -4.594 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.575 11.356 -4.884 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.025 9.913 -2.263 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.902 11.265 -1.536 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.311 10.224 -2.920 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.023 11.962 -3.168 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.390 12.135 -1.262 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.359 12.866 -2.884 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.655 11.729 -2.446 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.808 8.301 -5.812 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.947 7.419 -6.956 1.00 0.00 C ATOM 1026 C GLY A 63 -3.286 5.997 -6.554 1.00 0.00 C ATOM 1027 O GLY A 63 -2.744 5.474 -5.580 1.00 0.00 O ATOM 0 H GLY A 63 -2.858 7.838 -4.905 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.726 7.803 -7.614 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.018 7.420 -7.527 1.00 0.00 H new ATOM 1031 N SER A 64 -4.187 5.371 -7.304 1.00 0.00 N ATOM 1032 CA SER A 64 -4.603 4.003 -7.017 1.00 0.00 C ATOM 1033 C SER A 64 -3.951 3.022 -7.987 1.00 0.00 C ATOM 1034 O SER A 64 -3.563 3.394 -9.095 1.00 0.00 O ATOM 1035 CB SER A 64 -6.126 3.882 -7.098 1.00 0.00 C ATOM 1036 OG SER A 64 -6.620 4.462 -8.293 1.00 0.00 O ATOM 0 H SER A 64 -4.643 5.789 -8.115 1.00 0.00 H new ATOM 0 HA SER A 64 -4.280 3.756 -6.006 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.414 2.832 -7.054 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.579 4.373 -6.237 1.00 0.00 H new ATOM 0 HG SER A 64 -7.595 4.371 -8.322 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.835 1.769 -7.562 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.231 0.734 -8.393 1.00 0.00 C ATOM 1044 C ILE A 65 -4.051 -0.552 -8.352 1.00 0.00 C ATOM 1045 O ILE A 65 -4.474 -0.997 -7.284 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.789 0.425 -7.948 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.854 1.569 -8.344 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.317 -0.887 -8.557 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.517 1.474 -7.713 1.00 0.00 C ATOM 0 H ILE A 65 -4.151 1.445 -6.648 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.213 1.118 -9.413 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.772 0.326 -6.863 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.746 1.580 -9.429 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.311 2.517 -8.059 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.296 -1.092 -8.234 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.971 -1.696 -8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.345 -0.814 -9.644 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.126 2.317 -8.038 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.420 1.493 -6.627 1.00 0.00 H new ATOM 0 HD13 ILE A 65 0.994 0.543 -8.018 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.270 -1.144 -9.520 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.037 -2.381 -9.618 1.00 0.00 C ATOM 1063 C LEU A 66 -4.120 -3.598 -9.558 1.00 0.00 C ATOM 1064 O LEU A 66 -3.345 -3.852 -10.481 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.845 -2.401 -10.918 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.251 -1.806 -10.843 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.129 -2.625 -9.910 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.193 -0.355 -10.387 1.00 0.00 C ATOM 0 H LEU A 66 -3.928 -0.788 -10.412 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.721 -2.423 -8.770 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.283 -1.860 -11.680 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.927 -3.434 -11.256 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.690 -1.835 -11.840 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.126 -2.186 -9.870 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.198 -3.648 -10.280 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.694 -2.629 -8.911 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.203 0.052 -10.339 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.734 -0.302 -9.400 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.601 0.225 -11.095 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.213 -4.349 -8.466 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.393 -5.541 -8.285 1.00 0.00 C ATOM 1082 C LEU A 67 -3.841 -6.658 -9.223 1.00 0.00 C ATOM 1083 O LEU A 67 -3.028 -7.359 -9.825 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.465 -6.019 -6.833 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.514 -5.333 -5.852 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.770 -5.817 -4.433 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.067 -5.584 -6.250 1.00 0.00 C ATOM 0 H LEU A 67 -4.848 -4.153 -7.693 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.362 -5.282 -8.525 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.485 -5.880 -6.476 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.264 -7.090 -6.814 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.699 -4.259 -5.886 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.084 -5.318 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.797 -5.586 -4.150 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.613 -6.894 -4.382 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.404 -5.089 -5.541 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.869 -6.656 -6.244 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.891 -5.188 -7.250 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.165 -6.826 -9.352 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.751 -7.854 -10.218 1.00 0.00 C ATOM 1101 C PRO A 68 -5.126 -7.867 -11.608 1.00 0.00 C ATOM 1102 O PRO A 68 -5.145 -8.886 -12.299 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.226 -7.451 -10.298 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.480 -6.691 -9.042 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.192 -6.026 -8.664 1.00 0.00 C ATOM 0 HA PRO A 68 -5.590 -8.858 -9.825 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.422 -6.838 -11.178 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.872 -8.326 -10.369 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.267 -5.951 -9.191 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.817 -7.359 -8.249 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.170 -4.985 -8.987 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.043 -6.028 -7.584 1.00 0.00 H new ATOM 1113 N SER A 69 -4.572 -6.728 -12.013 1.00 0.00 N ATOM 1114 CA SER A 69 -3.943 -6.608 -13.324 1.00 0.00 C ATOM 1115 C SER A 69 -2.440 -6.850 -13.229 1.00 0.00 C ATOM 1116 O SER A 69 -1.788 -7.173 -14.223 1.00 0.00 O ATOM 1117 CB SER A 69 -4.212 -5.223 -13.916 1.00 0.00 C ATOM 1118 OG SER A 69 -5.595 -5.031 -14.158 1.00 0.00 O ATOM 0 H SER A 69 -4.546 -5.876 -11.453 1.00 0.00 H new ATOM 0 HA SER A 69 -4.375 -7.365 -13.978 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.849 -4.455 -13.232 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.657 -5.108 -14.847 1.00 0.00 H new ATOM 0 HG SER A 69 -5.740 -4.138 -14.534 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.895 -6.692 -12.027 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.469 -6.892 -11.802 1.00 0.00 C ATOM 1126 C PHE A 70 -0.158 -8.367 -11.561 1.00 0.00 C ATOM 1127 O PHE A 70 -0.985 -9.107 -11.029 1.00 0.00 O ATOM 1128 CB PHE A 70 0.002 -6.059 -10.608 1.00 0.00 C ATOM 1129 CG PHE A 70 0.516 -4.701 -10.991 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.736 -4.563 -11.634 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.220 -3.562 -10.708 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.211 -3.314 -11.987 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.250 -2.310 -11.058 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.467 -2.186 -11.700 1.00 0.00 C ATOM 0 H PHE A 70 -2.420 -6.426 -11.194 1.00 0.00 H new ATOM 0 HA PHE A 70 0.064 -6.567 -12.696 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.825 -5.942 -9.908 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.788 -6.602 -10.084 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.322 -5.441 -11.862 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.173 -3.653 -10.208 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.164 -3.220 -12.487 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.333 -1.430 -10.830 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.836 -1.209 -11.977 1.00 0.00 H new ATOM 1144 N GLN A 71 1.039 -8.785 -11.959 1.00 0.00 N ATOM 1145 CA GLN A 71 1.459 -10.171 -11.788 1.00 0.00 C ATOM 1146 C GLN A 71 2.567 -10.280 -10.745 1.00 0.00 C ATOM 1147 O GLN A 71 3.701 -9.865 -10.986 1.00 0.00 O ATOM 1148 CB GLN A 71 1.938 -10.749 -13.120 1.00 0.00 C ATOM 1149 CG GLN A 71 2.944 -11.879 -12.967 1.00 0.00 C ATOM 1150 CD GLN A 71 3.119 -12.680 -14.242 1.00 0.00 C ATOM 1151 OE1 GLN A 71 4.194 -12.685 -14.843 1.00 0.00 O ATOM 1152 NE2 GLN A 71 2.062 -13.364 -14.663 1.00 0.00 N ATOM 0 H GLN A 71 1.735 -8.185 -12.402 1.00 0.00 H new ATOM 0 HA GLN A 71 0.600 -10.744 -11.440 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.076 -11.114 -13.679 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.387 -9.952 -13.712 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.907 -11.465 -12.667 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.619 -12.544 -12.166 1.00 0.00 H new ATOM 0 HE21 GLN A 71 1.190 -13.332 -14.134 1.00 0.00 H new ATOM 0 HE22 GLN A 71 2.122 -13.922 -15.515 1.00 0.00 H new ATOM 1161 N ILE A 72 2.231 -10.840 -9.588 1.00 0.00 N ATOM 1162 CA ILE A 72 3.198 -11.003 -8.510 1.00 0.00 C ATOM 1163 C ILE A 72 4.090 -12.217 -8.750 1.00 0.00 C ATOM 1164 O ILE A 72 3.634 -13.358 -8.679 1.00 0.00 O ATOM 1165 CB ILE A 72 2.500 -11.155 -7.146 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.261 -10.260 -7.079 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.463 -10.820 -6.017 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.548 -8.807 -7.391 1.00 0.00 C ATOM 0 H ILE A 72 1.297 -11.188 -9.373 1.00 0.00 H new ATOM 0 HA ILE A 72 3.811 -10.102 -8.497 1.00 0.00 H new ATOM 0 HB ILE A 72 2.183 -12.192 -7.031 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.515 -10.633 -7.780 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.825 -10.330 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.954 -10.932 -5.060 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.318 -11.495 -6.055 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.808 -9.792 -6.126 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.625 -8.231 -7.325 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.271 -8.417 -6.675 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.955 -8.725 -8.399 1.00 0.00 H new ATOM 1180 N ALA A 73 5.363 -11.962 -9.033 1.00 0.00 N ATOM 1181 CA ALA A 73 6.320 -13.033 -9.280 1.00 0.00 C ATOM 1182 C ALA A 73 7.719 -12.635 -8.823 1.00 0.00 C ATOM 1183 O ALA A 73 8.168 -11.514 -9.067 1.00 0.00 O ATOM 1184 CB ALA A 73 6.329 -13.403 -10.756 1.00 0.00 C ATOM 0 H ALA A 73 5.755 -11.023 -9.097 1.00 0.00 H new ATOM 0 HA ALA A 73 6.011 -13.903 -8.701 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.048 -14.204 -10.926 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.335 -13.738 -11.053 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.610 -12.532 -11.348 1.00 0.00 H new ATOM 1190 N LEU A 74 8.405 -13.559 -8.159 1.00 0.00 N ATOM 1191 CA LEU A 74 9.754 -13.305 -7.667 1.00 0.00 C ATOM 1192 C LEU A 74 10.615 -12.657 -8.748 1.00 0.00 C ATOM 1193 O LEU A 74 10.551 -13.038 -9.918 1.00 0.00 O ATOM 1194 CB LEU A 74 10.402 -14.608 -7.197 1.00 0.00 C ATOM 1195 CG LEU A 74 10.044 -15.063 -5.782 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.654 -14.127 -4.750 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.534 -15.137 -5.611 1.00 0.00 C ATOM 0 H LEU A 74 8.049 -14.491 -7.949 1.00 0.00 H new ATOM 0 HA LEU A 74 9.682 -12.618 -6.824 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.125 -15.400 -7.893 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.484 -14.495 -7.258 1.00 0.00 H new ATOM 0 HG LEU A 74 10.456 -16.060 -5.627 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.389 -14.467 -3.749 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.739 -14.125 -4.857 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.272 -13.118 -4.904 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.298 -15.463 -4.598 1.00 0.00 H new ATOM 0 HD22 LEU A 74 8.099 -14.153 -5.786 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.121 -15.849 -6.326 1.00 0.00 H new ATOM 1209 N LEU A 75 11.420 -11.679 -8.349 1.00 0.00 N ATOM 1210 CA LEU A 75 12.296 -10.980 -9.283 1.00 0.00 C ATOM 1211 C LEU A 75 12.919 -11.954 -10.277 1.00 0.00 C ATOM 1212 O LEU A 75 13.062 -13.143 -9.993 1.00 0.00 O ATOM 1213 CB LEU A 75 13.395 -10.236 -8.522 1.00 0.00 C ATOM 1214 CG LEU A 75 12.925 -9.145 -7.560 1.00 0.00 C ATOM 1215 CD1 LEU A 75 14.112 -8.507 -6.855 1.00 0.00 C ATOM 1216 CD2 LEU A 75 12.114 -8.093 -8.302 1.00 0.00 C ATOM 0 H LEU A 75 11.485 -11.352 -7.385 1.00 0.00 H new ATOM 0 HA LEU A 75 11.695 -10.259 -9.837 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.975 -10.965 -7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.071 -9.785 -9.249 1.00 0.00 H new ATOM 0 HG LEU A 75 12.285 -9.603 -6.806 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.758 -7.733 -6.174 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.652 -9.267 -6.290 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.779 -8.063 -7.594 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.788 -7.324 -7.602 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.730 -7.639 -9.078 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.242 -8.561 -8.759 1.00 0.00 H new ATOM 1377 N TYR A 85 14.797 -10.250 -0.432 1.00 0.00 N ATOM 1378 CA TYR A 85 13.419 -10.443 0.006 1.00 0.00 C ATOM 1379 C TYR A 85 12.488 -9.441 -0.669 1.00 0.00 C ATOM 1380 O TYR A 85 11.648 -8.820 -0.018 1.00 0.00 O ATOM 1381 CB TYR A 85 13.321 -10.303 1.526 1.00 0.00 C ATOM 1382 CG TYR A 85 13.935 -11.460 2.281 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.220 -11.902 1.990 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.230 -12.113 3.285 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.785 -12.959 2.677 1.00 0.00 C ATOM 1386 CE2 TYR A 85 13.787 -13.170 3.978 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.064 -13.589 3.670 1.00 0.00 C ATOM 1388 OH TYR A 85 15.623 -14.643 4.357 1.00 0.00 O ATOM 0 HA TYR A 85 13.111 -11.448 -0.280 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.814 -9.379 1.830 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.272 -10.212 1.807 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.787 -11.411 1.213 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.229 -11.788 3.528 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.785 -13.290 2.438 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.226 -13.665 4.756 1.00 0.00 H new ATOM 0 HH TYR A 85 14.985 -14.974 5.023 1.00 0.00 H new ATOM 1398 N ALA A 86 12.644 -9.289 -1.980 1.00 0.00 N ATOM 1399 CA ALA A 86 11.816 -8.365 -2.746 1.00 0.00 C ATOM 1400 C ALA A 86 11.164 -9.066 -3.933 1.00 0.00 C ATOM 1401 O ALA A 86 11.588 -10.149 -4.336 1.00 0.00 O ATOM 1402 CB ALA A 86 12.646 -7.181 -3.220 1.00 0.00 C ATOM 0 H ALA A 86 13.336 -9.794 -2.534 1.00 0.00 H new ATOM 0 HA ALA A 86 11.023 -8.000 -2.093 1.00 0.00 H new ATOM 0 HB1 ALA A 86 12.015 -6.499 -3.790 1.00 0.00 H new ATOM 0 HB2 ALA A 86 13.059 -6.657 -2.358 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.460 -7.537 -3.852 1.00 0.00 H new ATOM 1408 N PHE A 87 10.131 -8.442 -4.488 1.00 0.00 N ATOM 1409 CA PHE A 87 9.419 -9.008 -5.629 1.00 0.00 C ATOM 1410 C PHE A 87 9.096 -7.928 -6.657 1.00 0.00 C ATOM 1411 O PHE A 87 9.444 -6.761 -6.480 1.00 0.00 O ATOM 1412 CB PHE A 87 8.130 -9.689 -5.165 1.00 0.00 C ATOM 1413 CG PHE A 87 7.425 -8.952 -4.062 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.868 -9.049 -2.753 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.319 -8.163 -4.334 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.223 -8.372 -1.736 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.670 -7.483 -3.321 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.121 -7.589 -2.020 1.00 0.00 C ATOM 0 H PHE A 87 9.768 -7.545 -4.167 1.00 0.00 H new ATOM 0 HA PHE A 87 10.065 -9.750 -6.098 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.455 -9.787 -6.015 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.364 -10.698 -4.825 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.728 -9.661 -2.525 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.960 -8.078 -5.349 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.580 -8.455 -0.720 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.811 -6.869 -3.547 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.613 -7.061 -1.226 1.00 0.00 H new ATOM 1428 N LYS A 88 8.427 -8.327 -7.734 1.00 0.00 N ATOM 1429 CA LYS A 88 8.055 -7.396 -8.793 1.00 0.00 C ATOM 1430 C LYS A 88 6.661 -7.708 -9.327 1.00 0.00 C ATOM 1431 O LYS A 88 6.231 -8.861 -9.330 1.00 0.00 O ATOM 1432 CB LYS A 88 9.074 -7.455 -9.934 1.00 0.00 C ATOM 1433 CG LYS A 88 9.023 -8.748 -10.729 1.00 0.00 C ATOM 1434 CD LYS A 88 9.678 -8.591 -12.091 1.00 0.00 C ATOM 1435 CE LYS A 88 9.136 -9.602 -13.090 1.00 0.00 C ATOM 1436 NZ LYS A 88 9.685 -9.381 -14.456 1.00 0.00 N ATOM 0 H LYS A 88 8.131 -9.290 -7.896 1.00 0.00 H new ATOM 0 HA LYS A 88 8.047 -6.391 -8.372 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.900 -6.617 -10.609 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.076 -7.331 -9.522 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.525 -9.539 -10.172 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.986 -9.057 -10.857 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.507 -7.581 -12.464 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.756 -8.716 -11.994 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.384 -10.610 -12.758 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.048 -9.535 -13.121 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.291 -10.090 -15.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.427 -8.428 -14.784 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.721 -9.470 -14.432 1.00 0.00 H new ATOM 1450 N ALA A 89 5.959 -6.673 -9.778 1.00 0.00 N ATOM 1451 CA ALA A 89 4.615 -6.838 -10.317 1.00 0.00 C ATOM 1452 C ALA A 89 4.543 -6.367 -11.765 1.00 0.00 C ATOM 1453 O ALA A 89 4.781 -5.196 -12.059 1.00 0.00 O ATOM 1454 CB ALA A 89 3.608 -6.082 -9.463 1.00 0.00 C ATOM 0 H ALA A 89 6.299 -5.711 -9.781 1.00 0.00 H new ATOM 0 HA ALA A 89 4.369 -7.900 -10.295 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.608 -6.214 -9.877 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.633 -6.468 -8.444 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.861 -5.022 -9.455 1.00 0.00 H new ATOM 1460 N ALA A 90 4.214 -7.287 -12.666 1.00 0.00 N ATOM 1461 CA ALA A 90 4.109 -6.965 -14.084 1.00 0.00 C ATOM 1462 C ALA A 90 2.685 -6.563 -14.452 1.00 0.00 C ATOM 1463 O ALA A 90 1.719 -7.173 -13.992 1.00 0.00 O ATOM 1464 CB ALA A 90 4.562 -8.147 -14.928 1.00 0.00 C ATOM 0 H ALA A 90 4.016 -8.261 -12.439 1.00 0.00 H new ATOM 0 HA ALA A 90 4.761 -6.116 -14.288 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.478 -7.893 -15.985 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.599 -8.385 -14.693 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.933 -9.011 -14.712 1.00 0.00 H new ATOM 1470 N HIS A 91 2.562 -5.533 -15.283 1.00 0.00 N ATOM 1471 CA HIS A 91 1.254 -5.051 -15.713 1.00 0.00 C ATOM 1472 C HIS A 91 1.149 -5.049 -17.235 1.00 0.00 C ATOM 1473 O HIS A 91 2.094 -4.709 -17.946 1.00 0.00 O ATOM 1474 CB HIS A 91 1.004 -3.643 -15.171 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.448 -3.291 -15.066 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.181 -2.796 -16.124 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.304 -3.367 -14.020 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.425 -2.581 -15.732 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.526 -2.920 -14.460 1.00 0.00 N ATOM 0 H HIS A 91 3.351 -5.017 -15.672 1.00 0.00 H new ATOM 0 HA HIS A 91 0.496 -5.726 -15.315 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.463 -3.555 -14.186 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.499 -2.920 -15.819 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.070 -3.714 -13.025 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.223 -2.194 -16.348 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.374 -2.860 -13.896 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.028 -5.440 -17.748 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.284 -5.492 -19.190 1.00 0.00 C ATOM 1490 C PRO A 92 -0.468 -4.106 -19.797 1.00 0.00 C ATOM 1491 O PRO A 92 0.095 -3.798 -20.847 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.583 -6.296 -19.290 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.281 -6.051 -17.997 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.198 -5.859 -16.959 1.00 0.00 C ATOM 0 HA PRO A 92 0.550 -5.932 -19.736 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.188 -5.967 -20.135 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.381 -7.357 -19.436 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.919 -5.170 -18.061 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.924 -6.892 -17.737 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.477 -5.103 -16.224 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.002 -6.780 -16.410 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.259 -3.272 -19.129 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.517 -1.917 -19.604 1.00 0.00 C ATOM 1504 C ASN A 93 -0.576 -0.919 -18.935 1.00 0.00 C ATOM 1505 O ASN A 93 -0.774 0.292 -19.027 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.971 -1.527 -19.331 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.955 -2.405 -20.079 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.729 -2.766 -21.234 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -5.056 -2.752 -19.422 1.00 0.00 N ATOM 0 H ASN A 93 -1.732 -3.511 -18.257 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.338 -1.894 -20.679 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.168 -1.595 -18.261 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -3.125 -0.487 -19.618 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.755 -3.341 -19.874 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -5.202 -2.430 -18.465 1.00 0.00 H new ATOM 1516 N MET A 94 0.447 -1.436 -18.264 1.00 0.00 N ATOM 1517 CA MET A 94 1.420 -0.590 -17.582 1.00 0.00 C ATOM 1518 C MET A 94 2.795 -1.249 -17.562 1.00 0.00 C ATOM 1519 O MET A 94 2.993 -2.312 -18.152 1.00 0.00 O ATOM 1520 CB MET A 94 0.960 -0.298 -16.153 1.00 0.00 C ATOM 1521 CG MET A 94 0.001 0.877 -16.050 1.00 0.00 C ATOM 1522 SD MET A 94 -1.728 0.374 -16.142 1.00 0.00 S ATOM 1523 CE MET A 94 -2.099 0.120 -14.408 1.00 0.00 C ATOM 0 H MET A 94 0.624 -2.437 -18.178 1.00 0.00 H new ATOM 0 HA MET A 94 1.496 0.349 -18.131 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.477 -1.187 -15.747 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.834 -0.098 -15.533 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.173 1.400 -15.109 1.00 0.00 H new ATOM 0 HG3 MET A 94 0.212 1.585 -16.852 1.00 0.00 H new ATOM 0 HE1 MET A 94 -3.094 -0.313 -14.309 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.363 -0.557 -13.974 1.00 0.00 H new ATOM 0 HE3 MET A 94 -2.065 1.076 -13.885 1.00 0.00 H new ATOM 1533 N ARG A 95 3.742 -0.613 -16.880 1.00 0.00 N ATOM 1534 CA ARG A 95 5.099 -1.137 -16.785 1.00 0.00 C ATOM 1535 C ARG A 95 5.223 -2.115 -15.621 1.00 0.00 C ATOM 1536 O ARG A 95 4.236 -2.437 -14.957 1.00 0.00 O ATOM 1537 CB ARG A 95 6.099 0.007 -16.613 1.00 0.00 C ATOM 1538 CG ARG A 95 6.169 0.547 -15.194 1.00 0.00 C ATOM 1539 CD ARG A 95 6.837 1.913 -15.150 1.00 0.00 C ATOM 1540 NE ARG A 95 8.124 1.915 -15.840 1.00 0.00 N ATOM 1541 CZ ARG A 95 9.085 2.799 -15.599 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.906 3.747 -14.689 1.00 0.00 N ATOM 1543 NH2 ARG A 95 10.229 2.737 -16.268 1.00 0.00 N ATOM 0 H ARG A 95 3.594 0.266 -16.385 1.00 0.00 H new ATOM 0 HA ARG A 95 5.322 -1.669 -17.710 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.089 -0.339 -16.910 1.00 0.00 H new ATOM 0 HB3 ARG A 95 5.829 0.819 -17.289 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.163 0.619 -14.781 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.722 -0.150 -14.565 1.00 0.00 H new ATOM 0 HD2 ARG A 95 6.180 2.653 -15.607 1.00 0.00 H new ATOM 0 HD3 ARG A 95 6.982 2.213 -14.112 1.00 0.00 H new ATOM 0 HE ARG A 95 8.294 1.198 -16.546 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.028 3.798 -14.172 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.646 4.425 -14.506 1.00 0.00 H new ATOM 0 HH21 ARG A 95 10.371 2.010 -16.969 1.00 0.00 H new ATOM 0 HH22 ARG A 95 10.966 3.417 -16.082 1.00 0.00 H new ATOM 1557 N THR A 96 6.442 -2.587 -15.378 1.00 0.00 N ATOM 1558 CA THR A 96 6.695 -3.530 -14.296 1.00 0.00 C ATOM 1559 C THR A 96 7.131 -2.806 -13.027 1.00 0.00 C ATOM 1560 O THR A 96 8.147 -2.111 -13.015 1.00 0.00 O ATOM 1561 CB THR A 96 7.777 -4.555 -14.686 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.350 -5.308 -15.827 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.069 -5.500 -13.530 1.00 0.00 C ATOM 0 H THR A 96 7.270 -2.331 -15.916 1.00 0.00 H new ATOM 0 HA THR A 96 5.758 -4.055 -14.108 1.00 0.00 H new ATOM 0 HB THR A 96 8.690 -4.011 -14.930 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.044 -5.956 -16.070 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.836 -6.215 -13.829 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.421 -4.927 -12.672 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.159 -6.036 -13.260 1.00 0.00 H new ATOM 1571 N TYR A 97 6.357 -2.974 -11.961 1.00 0.00 N ATOM 1572 CA TYR A 97 6.663 -2.335 -10.686 1.00 0.00 C ATOM 1573 C TYR A 97 7.552 -3.230 -9.827 1.00 0.00 C ATOM 1574 O TYR A 97 7.571 -4.449 -9.994 1.00 0.00 O ATOM 1575 CB TYR A 97 5.373 -2.007 -9.934 1.00 0.00 C ATOM 1576 CG TYR A 97 4.615 -0.834 -10.515 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.373 -0.746 -11.880 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.140 0.185 -9.698 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.682 0.324 -12.415 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.447 1.258 -10.224 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.221 1.323 -11.583 1.00 0.00 C ATOM 1582 OH TYR A 97 2.530 2.390 -12.112 1.00 0.00 O ATOM 0 H TYR A 97 5.513 -3.547 -11.954 1.00 0.00 H new ATOM 0 HA TYR A 97 7.201 -1.410 -10.892 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.727 -2.885 -9.938 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.614 -1.793 -8.893 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.731 -1.527 -12.534 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.316 0.137 -8.633 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.504 0.378 -13.479 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.084 2.041 -9.575 1.00 0.00 H new ATOM 0 HH TYR A 97 2.275 3.004 -11.392 1.00 0.00 H new ATOM 1592 N TYR A 98 8.286 -2.614 -8.908 1.00 0.00 N ATOM 1593 CA TYR A 98 9.179 -3.353 -8.023 1.00 0.00 C ATOM 1594 C TYR A 98 8.940 -2.972 -6.565 1.00 0.00 C ATOM 1595 O TYR A 98 8.796 -1.795 -6.234 1.00 0.00 O ATOM 1596 CB TYR A 98 10.638 -3.087 -8.398 1.00 0.00 C ATOM 1597 CG TYR A 98 11.055 -3.729 -9.702 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.537 -3.287 -10.913 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.966 -4.778 -9.723 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.914 -3.871 -12.107 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.350 -5.366 -10.912 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.821 -4.910 -12.101 1.00 0.00 C ATOM 1603 OH TYR A 98 12.200 -5.495 -13.288 1.00 0.00 O ATOM 0 H TYR A 98 8.281 -1.605 -8.756 1.00 0.00 H new ATOM 0 HA TYR A 98 8.968 -4.416 -8.141 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.797 -2.011 -8.466 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.282 -3.455 -7.599 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.827 -2.473 -10.921 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.381 -5.140 -8.794 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.501 -3.516 -13.040 1.00 0.00 H new ATOM 0 HE2 TYR A 98 13.061 -6.179 -10.911 1.00 0.00 H new ATOM 0 HH TYR A 98 12.845 -6.210 -13.109 1.00 0.00 H new ATOM 1613 N PHE A 99 8.898 -3.977 -5.697 1.00 0.00 N ATOM 1614 CA PHE A 99 8.676 -3.749 -4.274 1.00 0.00 C ATOM 1615 C PHE A 99 9.607 -4.617 -3.432 1.00 0.00 C ATOM 1616 O PHE A 99 10.021 -5.696 -3.857 1.00 0.00 O ATOM 1617 CB PHE A 99 7.219 -4.043 -3.910 1.00 0.00 C ATOM 1618 CG PHE A 99 6.230 -3.460 -4.878 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.948 -4.102 -6.073 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.581 -2.269 -4.594 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.039 -3.567 -6.966 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.671 -1.729 -5.483 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.399 -2.380 -6.670 1.00 0.00 C ATOM 0 H PHE A 99 9.015 -4.957 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 99 8.893 -2.702 -4.061 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.076 -5.122 -3.862 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.015 -3.650 -2.914 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.444 -5.032 -6.309 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.789 -1.756 -3.666 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.829 -4.077 -7.895 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.173 -0.799 -5.250 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.687 -1.961 -7.366 1.00 0.00 H new ATOM 1633 N CYS A 100 9.932 -4.137 -2.236 1.00 0.00 N ATOM 1634 CA CYS A 100 10.815 -4.868 -1.334 1.00 0.00 C ATOM 1635 C CYS A 100 10.411 -4.646 0.120 1.00 0.00 C ATOM 1636 O CYS A 100 9.702 -3.693 0.440 1.00 0.00 O ATOM 1637 CB CYS A 100 12.266 -4.433 -1.545 1.00 0.00 C ATOM 1638 SG CYS A 100 12.664 -2.820 -0.832 1.00 0.00 S ATOM 0 H CYS A 100 9.598 -3.246 -1.869 1.00 0.00 H new ATOM 0 HA CYS A 100 10.725 -5.931 -1.559 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.926 -5.183 -1.110 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.474 -4.407 -2.615 1.00 0.00 H new ATOM 0 HG CYS A 100 12.904 -1.971 -1.787 1.00 0.00 H new ATOM 1644 N THR A 101 10.867 -5.535 0.997 1.00 0.00 N ATOM 1645 CA THR A 101 10.551 -5.439 2.417 1.00 0.00 C ATOM 1646 C THR A 101 11.811 -5.540 3.268 1.00 0.00 C ATOM 1647 O THR A 101 12.922 -5.623 2.743 1.00 0.00 O ATOM 1648 CB THR A 101 9.564 -6.540 2.848 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.963 -7.800 2.297 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.150 -6.207 2.395 1.00 0.00 C ATOM 0 H THR A 101 11.456 -6.330 0.749 1.00 0.00 H new ATOM 0 HA THR A 101 10.088 -4.465 2.573 1.00 0.00 H new ATOM 0 HB THR A 101 9.575 -6.601 3.936 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.146 -8.432 3.024 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.471 -6.999 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.838 -5.262 2.841 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.127 -6.121 1.309 1.00 0.00 H new ATOM 1658 N ASP A 102 11.632 -5.534 4.585 1.00 0.00 N ATOM 1659 CA ASP A 102 12.755 -5.627 5.510 1.00 0.00 C ATOM 1660 C ASP A 102 13.089 -7.083 5.815 1.00 0.00 C ATOM 1661 O ASP A 102 14.255 -7.479 5.812 1.00 0.00 O ATOM 1662 CB ASP A 102 12.439 -4.880 6.806 1.00 0.00 C ATOM 1663 CG ASP A 102 12.294 -3.386 6.594 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.886 -2.864 5.626 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.587 -2.739 7.394 1.00 0.00 O ATOM 0 H ASP A 102 10.719 -5.466 5.035 1.00 0.00 H new ATOM 0 HA ASP A 102 13.622 -5.166 5.037 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.517 -5.274 7.233 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.231 -5.066 7.531 1.00 0.00 H new ATOM 1670 N THR A 103 12.057 -7.878 6.081 1.00 0.00 N ATOM 1671 CA THR A 103 12.239 -9.291 6.391 1.00 0.00 C ATOM 1672 C THR A 103 11.196 -10.148 5.684 1.00 0.00 C ATOM 1673 O THR A 103 10.366 -9.640 4.932 1.00 0.00 O ATOM 1674 CB THR A 103 12.157 -9.548 7.907 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.886 -9.121 8.409 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.270 -8.815 8.641 1.00 0.00 C ATOM 0 H THR A 103 11.086 -7.567 6.088 1.00 0.00 H new ATOM 0 HA THR A 103 13.232 -9.567 6.036 1.00 0.00 H new ATOM 0 HB THR A 103 12.273 -10.618 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.842 -9.290 9.373 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.192 -9.012 9.710 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.237 -9.164 8.278 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.180 -7.744 8.461 1.00 0.00 H new ATOM 1684 N GLY A 104 11.243 -11.454 5.932 1.00 0.00 N ATOM 1685 CA GLY A 104 10.296 -12.361 5.311 1.00 0.00 C ATOM 1686 C GLY A 104 8.859 -12.027 5.660 1.00 0.00 C ATOM 1687 O GLY A 104 8.011 -11.898 4.776 1.00 0.00 O ATOM 0 H GLY A 104 11.920 -11.899 6.552 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.421 -12.327 4.229 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.515 -13.381 5.625 1.00 0.00 H new ATOM 1691 N LYS A 105 8.583 -11.886 6.952 1.00 0.00 N ATOM 1692 CA LYS A 105 7.238 -11.565 7.417 1.00 0.00 C ATOM 1693 C LYS A 105 6.649 -10.406 6.618 1.00 0.00 C ATOM 1694 O LYS A 105 5.566 -10.524 6.045 1.00 0.00 O ATOM 1695 CB LYS A 105 7.262 -11.211 8.905 1.00 0.00 C ATOM 1696 CG LYS A 105 5.881 -11.024 9.508 1.00 0.00 C ATOM 1697 CD LYS A 105 5.072 -12.310 9.460 1.00 0.00 C ATOM 1698 CE LYS A 105 3.936 -12.292 10.470 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.461 -13.665 10.796 1.00 0.00 N ATOM 0 H LYS A 105 9.273 -11.989 7.696 1.00 0.00 H new ATOM 0 HA LYS A 105 6.610 -12.443 7.268 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.783 -11.999 9.449 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.836 -10.295 9.043 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.976 -10.692 10.542 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.351 -10.239 8.968 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.667 -12.449 8.458 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.725 -13.159 9.660 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.269 -11.797 11.382 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.107 -11.706 10.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.686 -13.609 11.488 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.119 -14.129 9.930 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.245 -14.217 11.198 1.00 0.00 H new ATOM 1713 N GLU A 106 7.370 -9.290 6.584 1.00 0.00 N ATOM 1714 CA GLU A 106 6.917 -8.111 5.854 1.00 0.00 C ATOM 1715 C GLU A 106 6.631 -8.452 4.394 1.00 0.00 C ATOM 1716 O GLU A 106 5.875 -7.753 3.720 1.00 0.00 O ATOM 1717 CB GLU A 106 7.966 -7.000 5.934 1.00 0.00 C ATOM 1718 CG GLU A 106 8.080 -6.368 7.311 1.00 0.00 C ATOM 1719 CD GLU A 106 7.016 -5.317 7.560 1.00 0.00 C ATOM 1720 OE1 GLU A 106 7.130 -4.211 6.991 1.00 0.00 O ATOM 1721 OE2 GLU A 106 6.070 -5.600 8.325 1.00 0.00 O ATOM 0 H GLU A 106 8.269 -9.177 7.053 1.00 0.00 H new ATOM 0 HA GLU A 106 5.993 -7.762 6.315 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.936 -7.407 5.649 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.719 -6.226 5.208 1.00 0.00 H new ATOM 0 HG2 GLU A 106 8.002 -7.145 8.071 1.00 0.00 H new ATOM 0 HG3 GLU A 106 9.065 -5.915 7.418 1.00 0.00 H new ATOM 1728 N MET A 107 7.242 -9.529 3.914 1.00 0.00 N ATOM 1729 CA MET A 107 7.053 -9.963 2.534 1.00 0.00 C ATOM 1730 C MET A 107 5.865 -10.913 2.421 1.00 0.00 C ATOM 1731 O MET A 107 5.117 -10.872 1.445 1.00 0.00 O ATOM 1732 CB MET A 107 8.319 -10.647 2.014 1.00 0.00 C ATOM 1733 CG MET A 107 8.126 -11.348 0.679 1.00 0.00 C ATOM 1734 SD MET A 107 9.632 -11.383 -0.311 1.00 0.00 S ATOM 1735 CE MET A 107 9.688 -13.110 -0.781 1.00 0.00 C ATOM 0 H MET A 107 7.872 -10.118 4.459 1.00 0.00 H new ATOM 0 HA MET A 107 6.850 -9.081 1.927 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.109 -9.903 1.914 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.658 -11.374 2.751 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.788 -12.369 0.855 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.339 -10.843 0.119 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.567 -13.290 -1.399 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.741 -13.729 0.114 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.790 -13.363 -1.345 1.00 0.00 H new ATOM 1745 N GLU A 108 5.698 -11.768 3.426 1.00 0.00 N ATOM 1746 CA GLU A 108 4.600 -12.728 3.437 1.00 0.00 C ATOM 1747 C GLU A 108 3.263 -12.023 3.647 1.00 0.00 C ATOM 1748 O GLU A 108 2.250 -12.399 3.055 1.00 0.00 O ATOM 1749 CB GLU A 108 4.818 -13.772 4.534 1.00 0.00 C ATOM 1750 CG GLU A 108 4.186 -13.397 5.864 1.00 0.00 C ATOM 1751 CD GLU A 108 4.275 -14.513 6.887 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.316 -14.610 7.569 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.303 -15.288 7.005 1.00 0.00 O ATOM 0 H GLU A 108 6.308 -11.815 4.242 1.00 0.00 H new ATOM 0 HA GLU A 108 4.578 -13.228 2.469 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.408 -14.726 4.203 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.889 -13.918 4.678 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.678 -12.508 6.258 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.139 -13.138 5.705 1.00 0.00 H new ATOM 1760 N LEU A 109 3.267 -11.001 4.495 1.00 0.00 N ATOM 1761 CA LEU A 109 2.055 -10.243 4.785 1.00 0.00 C ATOM 1762 C LEU A 109 1.606 -9.445 3.565 1.00 0.00 C ATOM 1763 O LEU A 109 0.410 -9.298 3.312 1.00 0.00 O ATOM 1764 CB LEU A 109 2.289 -9.300 5.966 1.00 0.00 C ATOM 1765 CG LEU A 109 2.720 -9.960 7.277 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.948 -8.911 8.354 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.680 -10.975 7.729 1.00 0.00 C ATOM 0 H LEU A 109 4.096 -10.678 4.994 1.00 0.00 H new ATOM 0 HA LEU A 109 1.268 -10.951 5.043 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.050 -8.574 5.680 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.370 -8.743 6.148 1.00 0.00 H new ATOM 0 HG LEU A 109 3.660 -10.484 7.106 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.254 -9.400 9.279 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.729 -8.223 8.032 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.024 -8.358 8.524 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.003 -11.435 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.725 -10.473 7.883 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.567 -11.745 6.966 1.00 0.00 H new ATOM 1779 N TRP A 110 2.572 -8.934 2.810 1.00 0.00 N ATOM 1780 CA TRP A 110 2.276 -8.153 1.615 1.00 0.00 C ATOM 1781 C TRP A 110 1.946 -9.064 0.437 1.00 0.00 C ATOM 1782 O TRP A 110 1.047 -8.774 -0.350 1.00 0.00 O ATOM 1783 CB TRP A 110 3.461 -7.253 1.262 1.00 0.00 C ATOM 1784 CG TRP A 110 3.394 -5.902 1.908 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.355 -5.313 2.679 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.306 -4.973 1.840 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.930 -4.074 3.094 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.677 -3.842 2.593 1.00 0.00 C ATOM 1789 CE3 TRP A 110 1.056 -4.987 1.215 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.841 -2.737 2.736 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.228 -3.890 1.359 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.623 -2.778 2.114 1.00 0.00 C ATOM 0 H TRP A 110 3.567 -9.047 3.004 1.00 0.00 H new ATOM 0 HA TRP A 110 1.406 -7.531 1.825 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.385 -7.746 1.563 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.504 -7.129 0.180 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.309 -5.756 2.926 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.462 -3.431 3.680 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.743 -5.839 0.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.143 -1.878 3.317 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.741 -3.890 0.881 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.047 -1.936 2.207 1.00 0.00 H new ATOM 1803 N MET A 111 2.680 -10.167 0.324 1.00 0.00 N ATOM 1804 CA MET A 111 2.463 -11.121 -0.758 1.00 0.00 C ATOM 1805 C MET A 111 1.110 -11.809 -0.612 1.00 0.00 C ATOM 1806 O MET A 111 0.222 -11.639 -1.447 1.00 0.00 O ATOM 1807 CB MET A 111 3.581 -12.165 -0.777 1.00 0.00 C ATOM 1808 CG MET A 111 4.855 -11.679 -1.448 1.00 0.00 C ATOM 1809 SD MET A 111 5.798 -13.020 -2.201 1.00 0.00 S ATOM 1810 CE MET A 111 6.075 -12.357 -3.842 1.00 0.00 C ATOM 0 H MET A 111 3.429 -10.422 0.968 1.00 0.00 H new ATOM 0 HA MET A 111 2.472 -10.573 -1.700 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.809 -12.460 0.247 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.226 -13.057 -1.293 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.601 -10.945 -2.212 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.478 -11.171 -0.712 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.421 -12.861 -4.553 1.00 0.00 H new ATOM 0 HE2 MET A 111 5.859 -11.289 -3.844 1.00 0.00 H new ATOM 0 HE3 MET A 111 7.114 -12.517 -4.129 1.00 0.00 H new ATOM 1820 N LYS A 112 0.959 -12.588 0.454 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.286 -13.302 0.711 1.00 0.00 C ATOM 1822 C LYS A 112 -1.491 -12.453 0.319 1.00 0.00 C ATOM 1823 O LYS A 112 -2.425 -12.940 -0.316 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.380 -13.690 2.188 1.00 0.00 C ATOM 1825 CG LYS A 112 0.486 -14.881 2.561 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.063 -16.173 1.980 1.00 0.00 C ATOM 1827 CE LYS A 112 0.298 -17.371 2.845 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.405 -18.606 2.403 1.00 0.00 N ATOM 0 H LYS A 112 1.684 -12.741 1.155 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.289 -14.207 0.104 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.090 -12.835 2.799 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.418 -13.917 2.430 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.502 -14.721 2.199 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.544 -14.965 3.646 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.147 -16.101 1.890 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.331 -16.317 0.974 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.375 -17.534 2.809 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.042 -17.159 3.883 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.132 -19.399 3.018 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.433 -18.460 2.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.142 -18.823 1.421 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.462 -11.180 0.702 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.550 -10.263 0.387 1.00 0.00 C ATOM 1844 C ALA A 113 -2.523 -9.864 -1.084 1.00 0.00 C ATOM 1845 O ALA A 113 -3.461 -10.144 -1.830 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.471 -9.028 1.272 1.00 0.00 C ATOM 0 H ALA A 113 -0.697 -10.761 1.231 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.492 -10.776 0.580 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.289 -8.351 1.026 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.547 -9.325 2.318 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.520 -8.522 1.107 1.00 0.00 H new ATOM 1852 N MET A 114 -1.444 -9.206 -1.495 1.00 0.00 N ATOM 1853 CA MET A 114 -1.296 -8.769 -2.879 1.00 0.00 C ATOM 1854 C MET A 114 -1.803 -9.837 -3.843 1.00 0.00 C ATOM 1855 O MET A 114 -2.651 -9.567 -4.695 1.00 0.00 O ATOM 1856 CB MET A 114 0.168 -8.446 -3.180 1.00 0.00 C ATOM 1857 CG MET A 114 0.565 -7.024 -2.817 1.00 0.00 C ATOM 1858 SD MET A 114 2.237 -6.612 -3.349 1.00 0.00 S ATOM 1859 CE MET A 114 2.772 -5.561 -2.001 1.00 0.00 C ATOM 0 H MET A 114 -0.659 -8.964 -0.890 1.00 0.00 H new ATOM 0 HA MET A 114 -1.894 -7.868 -3.016 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.805 -9.142 -2.634 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.356 -8.607 -4.242 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.139 -6.327 -3.272 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.489 -6.894 -1.737 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.835 -5.719 -1.816 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.600 -4.517 -2.263 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.207 -5.807 -1.102 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.278 -11.049 -3.705 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.677 -12.158 -4.565 1.00 0.00 C ATOM 1871 C LEU A 115 -3.195 -12.303 -4.598 1.00 0.00 C ATOM 1872 O LEU A 115 -3.814 -12.221 -5.659 1.00 0.00 O ATOM 1873 CB LEU A 115 -1.040 -13.461 -4.079 1.00 0.00 C ATOM 1874 CG LEU A 115 0.327 -13.803 -4.673 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.235 -13.925 -6.186 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.356 -12.752 -4.282 1.00 0.00 C ATOM 0 H LEU A 115 -0.575 -11.289 -3.006 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.329 -11.945 -5.576 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.940 -13.411 -2.995 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.724 -14.280 -4.299 1.00 0.00 H new ATOM 0 HG LEU A 115 0.648 -14.764 -4.270 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.217 -14.169 -6.592 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.471 -14.714 -6.445 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.107 -12.980 -6.607 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.323 -13.011 -4.713 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.041 -11.778 -4.656 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.442 -12.713 -3.196 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.790 -12.516 -3.429 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.236 -12.668 -3.323 1.00 0.00 C ATOM 1890 C ASP A 116 -5.956 -11.584 -4.119 1.00 0.00 C ATOM 1891 O ASP A 116 -7.121 -11.739 -4.485 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.670 -12.615 -1.857 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.911 -13.445 -1.591 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.894 -14.654 -1.902 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.899 -12.885 -1.071 1.00 0.00 O ATOM 0 H ASP A 116 -3.293 -12.587 -2.541 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.506 -13.639 -3.739 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.856 -12.972 -1.227 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.861 -11.580 -1.575 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.256 -10.485 -4.381 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.828 -9.376 -5.134 1.00 0.00 C ATOM 1902 C ALA A 117 -5.401 -9.427 -6.597 1.00 0.00 C ATOM 1903 O ALA A 117 -6.104 -8.930 -7.476 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.421 -8.049 -4.510 1.00 0.00 C ATOM 0 H ALA A 117 -4.292 -10.339 -4.083 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.914 -9.466 -5.096 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.855 -7.229 -5.083 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.781 -8.005 -3.482 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.335 -7.961 -4.518 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.245 -10.031 -6.850 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.725 -10.148 -8.207 1.00 0.00 C ATOM 1912 C ALA A 118 -4.386 -11.305 -8.950 1.00 0.00 C ATOM 1913 O ALA A 118 -4.866 -11.143 -10.072 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.215 -10.329 -8.181 1.00 0.00 C ATOM 0 H ALA A 118 -3.650 -10.447 -6.133 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.959 -9.226 -8.740 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.841 -10.415 -9.201 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.754 -9.468 -7.697 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.966 -11.234 -7.626 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.405 -12.473 -8.317 1.00 0.00 N ATOM 1921 CA LEU A 119 -5.006 -13.659 -8.919 1.00 0.00 C ATOM 1922 C LEU A 119 -6.437 -13.377 -9.366 1.00 0.00 C ATOM 1923 O LEU A 119 -7.018 -14.137 -10.141 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.990 -14.822 -7.926 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.224 -14.960 -7.033 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.606 -13.613 -6.440 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.387 -15.549 -7.817 1.00 0.00 C ATOM 0 H LEU A 119 -4.012 -12.624 -7.388 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.418 -13.929 -9.796 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.866 -15.749 -8.485 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.114 -14.715 -7.287 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.983 -15.639 -6.215 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.486 -13.730 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.778 -13.230 -5.843 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.828 -12.911 -7.244 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.256 -15.640 -7.165 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.629 -14.896 -8.655 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -7.111 -16.534 -8.193 1.00 0.00 H new