USER MOD reduce.3.24.130724 H: found=0, std=0, add=534, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 535 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 Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 ASN : amide:sc=-0.00993 X(o=-0.0099,f=0) USER MOD Single : A 36 THR OG1 : rot 180:sc= 0 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 TYR OH : rot -53:sc= 0.00208 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 TYR OH : rot 128:sc= -0.199 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 263 N ARG A 24 -6.978 -3.878 -3.897 1.00 0.00 N ATOM 264 CA ARG A 24 -5.575 -3.609 -3.629 1.00 0.00 C ATOM 265 C ARG A 24 -5.365 -2.118 -3.354 1.00 0.00 C ATOM 266 O ARG A 24 -5.810 -1.272 -4.128 1.00 0.00 O ATOM 267 CB ARG A 24 -4.697 -4.032 -4.808 1.00 0.00 C ATOM 268 CG ARG A 24 -5.078 -3.267 -6.077 1.00 0.00 C ATOM 269 CD ARG A 24 -4.230 -3.722 -7.267 1.00 0.00 C ATOM 270 NE ARG A 24 -3.455 -2.581 -7.803 1.00 0.00 N ATOM 271 CZ ARG A 24 -2.387 -2.708 -8.602 1.00 0.00 C ATOM 272 NH1 ARG A 24 -1.961 -3.926 -8.963 1.00 0.00 N ATOM 273 NH2 ARG A 24 -1.745 -1.616 -9.040 1.00 0.00 N ATOM 0 HA ARG A 24 -5.288 -4.189 -2.752 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -3.649 -3.849 -4.570 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -4.803 -5.103 -4.979 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -6.134 -3.424 -6.297 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -4.941 -2.198 -5.916 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.553 -4.519 -6.958 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.872 -4.133 -8.046 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.752 -1.639 -7.548 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -2.450 -4.757 -8.630 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.148 -4.022 -9.571 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -2.070 -0.689 -8.765 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -0.932 -1.712 -9.648 1.00 0.00 H new ATOM 287 N ILE A 25 -4.685 -1.843 -2.251 1.00 0.00 N ATOM 288 CA ILE A 25 -4.410 -0.469 -1.864 1.00 0.00 C ATOM 289 C ILE A 25 -2.924 -0.173 -2.075 1.00 0.00 C ATOM 290 O ILE A 25 -2.096 -1.082 -2.051 1.00 0.00 O ATOM 291 CB ILE A 25 -4.893 -0.208 -0.436 1.00 0.00 C ATOM 292 CG1 ILE A 25 -4.427 -1.315 0.512 1.00 0.00 C ATOM 293 CG2 ILE A 25 -6.411 -0.019 -0.396 1.00 0.00 C ATOM 294 CD1 ILE A 25 -4.720 -0.949 1.968 1.00 0.00 C ATOM 0 H ILE A 25 -4.316 -2.548 -1.613 1.00 0.00 H new ATOM 0 HA ILE A 25 -4.966 0.224 -2.495 1.00 0.00 H new ATOM 0 HB ILE A 25 -4.444 0.723 -0.089 1.00 0.00 H new ATOM 0 HG12 ILE A 25 -4.929 -2.249 0.260 1.00 0.00 H new ATOM 0 HG13 ILE A 25 -3.358 -1.483 0.383 1.00 0.00 H new ATOM 0 HG21 ILE A 25 -6.728 0.165 0.631 1.00 0.00 H new ATOM 0 HG22 ILE A 25 -6.688 0.831 -1.019 1.00 0.00 H new ATOM 0 HG23 ILE A 25 -6.900 -0.918 -0.771 1.00 0.00 H new ATOM 0 HD11 ILE A 25 -4.379 -1.753 2.621 1.00 0.00 H new ATOM 0 HD12 ILE A 25 -4.197 -0.027 2.224 1.00 0.00 H new ATOM 0 HD13 ILE A 25 -5.793 -0.806 2.098 1.00 0.00 H new ATOM 306 N TYR A 26 -2.631 1.103 -2.278 1.00 0.00 N ATOM 307 CA TYR A 26 -1.260 1.531 -2.493 1.00 0.00 C ATOM 308 C TYR A 26 -0.744 2.341 -1.302 1.00 0.00 C ATOM 309 O TYR A 26 -1.369 3.320 -0.895 1.00 0.00 O ATOM 310 CB TYR A 26 -1.287 2.430 -3.731 1.00 0.00 C ATOM 311 CG TYR A 26 -0.032 3.286 -3.907 1.00 0.00 C ATOM 312 CD1 TYR A 26 0.083 4.488 -3.238 1.00 0.00 C ATOM 313 CD2 TYR A 26 0.986 2.857 -4.734 1.00 0.00 C ATOM 314 CE1 TYR A 26 1.265 5.294 -3.404 1.00 0.00 C ATOM 315 CE2 TYR A 26 2.168 3.663 -4.900 1.00 0.00 C ATOM 316 CZ TYR A 26 2.249 4.842 -4.226 1.00 0.00 C ATOM 317 OH TYR A 26 3.365 5.603 -4.383 1.00 0.00 O ATOM 0 H TYR A 26 -3.320 1.854 -2.298 1.00 0.00 H new ATOM 0 HA TYR A 26 -0.605 0.669 -2.616 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -1.417 1.808 -4.616 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -2.156 3.086 -3.672 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -0.713 4.824 -2.590 1.00 0.00 H new ATOM 0 HD2 TYR A 26 0.896 1.916 -5.257 1.00 0.00 H new ATOM 0 HE1 TYR A 26 1.367 6.237 -2.887 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.972 3.339 -5.545 1.00 0.00 H new ATOM 0 HH TYR A 26 3.983 5.155 -4.998 1.00 0.00 H new ATOM 327 N VAL A 27 0.390 1.903 -0.776 1.00 0.00 N ATOM 328 CA VAL A 27 0.996 2.575 0.361 1.00 0.00 C ATOM 329 C VAL A 27 2.171 3.428 -0.123 1.00 0.00 C ATOM 330 O VAL A 27 2.984 2.972 -0.926 1.00 0.00 O ATOM 331 CB VAL A 27 1.399 1.549 1.422 1.00 0.00 C ATOM 332 CG1 VAL A 27 1.865 2.240 2.705 1.00 0.00 C ATOM 333 CG2 VAL A 27 0.253 0.577 1.707 1.00 0.00 C ATOM 0 H VAL A 27 0.905 1.091 -1.116 1.00 0.00 H new ATOM 0 HA VAL A 27 0.280 3.247 0.834 1.00 0.00 H new ATOM 0 HB VAL A 27 2.237 0.973 1.030 1.00 0.00 H new ATOM 0 HG11 VAL A 27 2.145 1.488 3.442 1.00 0.00 H new ATOM 0 HG12 VAL A 27 2.726 2.872 2.486 1.00 0.00 H new ATOM 0 HG13 VAL A 27 1.056 2.853 3.102 1.00 0.00 H new ATOM 0 HG21 VAL A 27 0.565 -0.142 2.464 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -0.613 1.132 2.068 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -0.011 0.048 0.792 1.00 0.00 H new ATOM 343 N GLY A 28 2.224 4.650 0.387 1.00 0.00 N ATOM 344 CA GLY A 28 3.286 5.570 0.017 1.00 0.00 C ATOM 345 C GLY A 28 3.941 6.179 1.258 1.00 0.00 C ATOM 346 O GLY A 28 3.514 5.917 2.381 1.00 0.00 O ATOM 0 H GLY A 28 1.549 5.024 1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 28 4.037 5.046 -0.574 1.00 0.00 H new ATOM 0 HA3 GLY A 28 2.882 6.363 -0.612 1.00 0.00 H new ATOM 350 N ASN A 29 4.967 6.980 1.013 1.00 0.00 N ATOM 351 CA ASN A 29 5.685 7.629 2.097 1.00 0.00 C ATOM 352 C ASN A 29 6.136 6.573 3.108 1.00 0.00 C ATOM 353 O ASN A 29 5.832 6.676 4.296 1.00 0.00 O ATOM 354 CB ASN A 29 4.790 8.632 2.828 1.00 0.00 C ATOM 355 CG ASN A 29 4.748 9.970 2.087 1.00 0.00 C ATOM 356 OD1 ASN A 29 4.170 10.101 1.021 1.00 0.00 O ATOM 357 ND2 ASN A 29 5.390 10.954 2.710 1.00 0.00 N ATOM 0 H ASN A 29 5.318 7.195 0.080 1.00 0.00 H new ATOM 0 HA ASN A 29 6.539 8.153 1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 29 3.781 8.229 2.915 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.161 8.785 3.841 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.419 11.886 2.297 1.00 0.00 H new ATOM 0 HD22 ASN A 29 5.854 10.777 3.601 1.00 0.00 H new ATOM 364 N LEU A 30 6.853 5.582 2.600 1.00 0.00 N ATOM 365 CA LEU A 30 7.349 4.508 3.444 1.00 0.00 C ATOM 366 C LEU A 30 8.823 4.758 3.767 1.00 0.00 C ATOM 367 O LEU A 30 9.500 5.501 3.058 1.00 0.00 O ATOM 368 CB LEU A 30 7.083 3.149 2.794 1.00 0.00 C ATOM 369 CG LEU A 30 5.629 2.674 2.802 1.00 0.00 C ATOM 370 CD1 LEU A 30 5.368 1.686 1.663 1.00 0.00 C ATOM 371 CD2 LEU A 30 5.250 2.091 4.165 1.00 0.00 C ATOM 0 H LEU A 30 7.103 5.500 1.614 1.00 0.00 H new ATOM 0 HA LEU A 30 6.813 4.491 4.393 1.00 0.00 H new ATOM 0 HB2 LEU A 30 7.425 3.190 1.760 1.00 0.00 H new ATOM 0 HB3 LEU A 30 7.692 2.401 3.302 1.00 0.00 H new ATOM 0 HG LEU A 30 4.987 3.538 2.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 4.327 1.364 1.692 1.00 0.00 H new ATOM 0 HD12 LEU A 30 5.572 2.170 0.708 1.00 0.00 H new ATOM 0 HD13 LEU A 30 6.019 0.819 1.777 1.00 0.00 H new ATOM 0 HD21 LEU A 30 4.211 1.761 4.143 1.00 0.00 H new ATOM 0 HD22 LEU A 30 5.896 1.242 4.390 1.00 0.00 H new ATOM 0 HD23 LEU A 30 5.372 2.854 4.934 1.00 0.00 H new ATOM 383 N PRO A 31 9.290 4.105 4.865 1.00 0.00 N ATOM 384 CA PRO A 31 10.672 4.249 5.290 1.00 0.00 C ATOM 385 C PRO A 31 11.612 3.458 4.378 1.00 0.00 C ATOM 386 O PRO A 31 11.165 2.611 3.605 1.00 0.00 O ATOM 387 CB PRO A 31 10.694 3.763 6.730 1.00 0.00 C ATOM 388 CG PRO A 31 9.432 2.935 6.909 1.00 0.00 C ATOM 389 CD PRO A 31 8.518 3.217 5.728 1.00 0.00 C ATOM 0 HA PRO A 31 11.026 5.278 5.225 1.00 0.00 H new ATOM 0 HB2 PRO A 31 11.584 3.166 6.927 1.00 0.00 H new ATOM 0 HB3 PRO A 31 10.713 4.602 7.425 1.00 0.00 H new ATOM 0 HG2 PRO A 31 9.676 1.874 6.958 1.00 0.00 H new ATOM 0 HG3 PRO A 31 8.936 3.192 7.845 1.00 0.00 H new ATOM 0 HD2 PRO A 31 8.247 2.298 5.209 1.00 0.00 H new ATOM 0 HD3 PRO A 31 7.589 3.687 6.050 1.00 0.00 H new ATOM 397 N PRO A 32 12.930 3.769 4.501 1.00 0.00 N ATOM 398 CA PRO A 32 13.936 3.096 3.697 1.00 0.00 C ATOM 399 C PRO A 32 14.187 1.676 4.209 1.00 0.00 C ATOM 400 O PRO A 32 14.616 0.806 3.452 1.00 0.00 O ATOM 401 CB PRO A 32 15.166 3.985 3.782 1.00 0.00 C ATOM 402 CG PRO A 32 14.955 4.873 4.997 1.00 0.00 C ATOM 403 CD PRO A 32 13.495 4.765 5.406 1.00 0.00 C ATOM 0 HA PRO A 32 13.627 2.964 2.660 1.00 0.00 H new ATOM 0 HB2 PRO A 32 16.072 3.389 3.887 1.00 0.00 H new ATOM 0 HB3 PRO A 32 15.280 4.582 2.877 1.00 0.00 H new ATOM 0 HG2 PRO A 32 15.605 4.561 5.815 1.00 0.00 H new ATOM 0 HG3 PRO A 32 15.210 5.907 4.763 1.00 0.00 H new ATOM 0 HD2 PRO A 32 13.397 4.456 6.447 1.00 0.00 H new ATOM 0 HD3 PRO A 32 12.985 5.723 5.309 1.00 0.00 H new ATOM 411 N ASP A 33 13.910 1.486 5.490 1.00 0.00 N ATOM 412 CA ASP A 33 14.101 0.186 6.112 1.00 0.00 C ATOM 413 C ASP A 33 12.736 -0.424 6.438 1.00 0.00 C ATOM 414 O ASP A 33 12.495 -0.846 7.567 1.00 0.00 O ATOM 415 CB ASP A 33 14.887 0.311 7.419 1.00 0.00 C ATOM 416 CG ASP A 33 15.334 -1.017 8.034 1.00 0.00 C ATOM 417 OD1 ASP A 33 15.787 -1.880 7.252 1.00 0.00 O ATOM 418 OD2 ASP A 33 15.213 -1.138 9.272 1.00 0.00 O ATOM 0 H ASP A 33 13.555 2.210 6.115 1.00 0.00 H new ATOM 0 HA ASP A 33 14.656 -0.443 5.416 1.00 0.00 H new ATOM 0 HB2 ASP A 33 15.769 0.925 7.238 1.00 0.00 H new ATOM 0 HB3 ASP A 33 14.272 0.842 8.146 1.00 0.00 H new ATOM 423 N ILE A 34 11.880 -0.451 5.427 1.00 0.00 N ATOM 424 CA ILE A 34 10.546 -1.002 5.592 1.00 0.00 C ATOM 425 C ILE A 34 10.534 -2.453 5.104 1.00 0.00 C ATOM 426 O ILE A 34 11.368 -2.844 4.289 1.00 0.00 O ATOM 427 CB ILE A 34 9.509 -0.114 4.901 1.00 0.00 C ATOM 428 CG1 ILE A 34 8.091 -0.481 5.341 1.00 0.00 C ATOM 429 CG2 ILE A 34 9.669 -0.165 3.380 1.00 0.00 C ATOM 430 CD1 ILE A 34 7.833 -0.042 6.783 1.00 0.00 C ATOM 0 H ILE A 34 12.084 -0.100 4.491 1.00 0.00 H new ATOM 0 HA ILE A 34 10.268 -1.016 6.646 1.00 0.00 H new ATOM 0 HB ILE A 34 9.684 0.917 5.209 1.00 0.00 H new ATOM 0 HG12 ILE A 34 7.367 -0.008 4.678 1.00 0.00 H new ATOM 0 HG13 ILE A 34 7.947 -1.558 5.254 1.00 0.00 H new ATOM 0 HG21 ILE A 34 8.920 0.475 2.914 1.00 0.00 H new ATOM 0 HG22 ILE A 34 10.665 0.184 3.107 1.00 0.00 H new ATOM 0 HG23 ILE A 34 9.536 -1.190 3.034 1.00 0.00 H new ATOM 0 HD11 ILE A 34 6.818 -0.315 7.070 1.00 0.00 H new ATOM 0 HD12 ILE A 34 8.543 -0.536 7.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 7.954 1.038 6.862 1.00 0.00 H new ATOM 442 N ARG A 35 9.580 -3.211 5.624 1.00 0.00 N ATOM 443 CA ARG A 35 9.449 -4.609 5.252 1.00 0.00 C ATOM 444 C ARG A 35 8.002 -4.923 4.867 1.00 0.00 C ATOM 445 O ARG A 35 7.067 -4.398 5.470 1.00 0.00 O ATOM 446 CB ARG A 35 9.874 -5.527 6.400 1.00 0.00 C ATOM 447 CG ARG A 35 11.384 -5.770 6.377 1.00 0.00 C ATOM 448 CD ARG A 35 11.700 -7.216 5.986 1.00 0.00 C ATOM 449 NE ARG A 35 13.155 -7.374 5.765 1.00 0.00 N ATOM 450 CZ ARG A 35 14.045 -7.585 6.744 1.00 0.00 C ATOM 451 NH1 ARG A 35 13.634 -7.666 8.017 1.00 0.00 N ATOM 452 NH2 ARG A 35 15.346 -7.717 6.450 1.00 0.00 N ATOM 0 H ARG A 35 8.890 -2.883 6.300 1.00 0.00 H new ATOM 0 HA ARG A 35 10.103 -4.787 4.398 1.00 0.00 H new ATOM 0 HB2 ARG A 35 9.588 -5.080 7.352 1.00 0.00 H new ATOM 0 HB3 ARG A 35 9.348 -6.478 6.324 1.00 0.00 H new ATOM 0 HG2 ARG A 35 11.855 -5.087 5.670 1.00 0.00 H new ATOM 0 HG3 ARG A 35 11.806 -5.554 7.359 1.00 0.00 H new ATOM 0 HD2 ARG A 35 11.367 -7.895 6.771 1.00 0.00 H new ATOM 0 HD3 ARG A 35 11.155 -7.484 5.081 1.00 0.00 H new ATOM 0 HE ARG A 35 13.502 -7.319 4.807 1.00 0.00 H new ATOM 0 HH11 ARG A 35 12.644 -7.567 8.240 1.00 0.00 H new ATOM 0 HH12 ARG A 35 14.311 -7.827 8.762 1.00 0.00 H new ATOM 0 HH21 ARG A 35 15.659 -7.657 5.481 1.00 0.00 H new ATOM 0 HH22 ARG A 35 16.024 -7.878 7.195 1.00 0.00 H new ATOM 466 N THR A 36 7.862 -5.777 3.864 1.00 0.00 N ATOM 467 CA THR A 36 6.545 -6.167 3.391 1.00 0.00 C ATOM 468 C THR A 36 5.732 -6.788 4.529 1.00 0.00 C ATOM 469 O THR A 36 4.504 -6.829 4.469 1.00 0.00 O ATOM 470 CB THR A 36 6.729 -7.103 2.195 1.00 0.00 C ATOM 471 OG1 THR A 36 7.457 -6.321 1.251 1.00 0.00 O ATOM 472 CG2 THR A 36 5.410 -7.412 1.484 1.00 0.00 C ATOM 0 H THR A 36 8.639 -6.210 3.366 1.00 0.00 H new ATOM 0 HA THR A 36 5.972 -5.301 3.059 1.00 0.00 H new ATOM 0 HB THR A 36 7.187 -8.034 2.530 1.00 0.00 H new ATOM 0 HG1 THR A 36 7.622 -6.852 0.444 1.00 0.00 H new ATOM 0 HG21 THR A 36 5.598 -8.080 0.643 1.00 0.00 H new ATOM 0 HG22 THR A 36 4.724 -7.891 2.182 1.00 0.00 H new ATOM 0 HG23 THR A 36 4.967 -6.485 1.119 1.00 0.00 H new ATOM 480 N LYS A 37 6.450 -7.258 5.538 1.00 0.00 N ATOM 481 CA LYS A 37 5.811 -7.875 6.688 1.00 0.00 C ATOM 482 C LYS A 37 5.340 -6.784 7.651 1.00 0.00 C ATOM 483 O LYS A 37 4.146 -6.661 7.919 1.00 0.00 O ATOM 484 CB LYS A 37 6.744 -8.903 7.331 1.00 0.00 C ATOM 485 CG LYS A 37 6.691 -10.236 6.582 1.00 0.00 C ATOM 486 CD LYS A 37 6.894 -11.412 7.540 1.00 0.00 C ATOM 487 CE LYS A 37 7.977 -12.361 7.022 1.00 0.00 C ATOM 488 NZ LYS A 37 8.795 -12.875 8.143 1.00 0.00 N ATOM 0 H LYS A 37 7.468 -7.224 5.583 1.00 0.00 H new ATOM 0 HA LYS A 37 4.926 -8.431 6.379 1.00 0.00 H new ATOM 0 HB2 LYS A 37 7.765 -8.522 7.331 1.00 0.00 H new ATOM 0 HB3 LYS A 37 6.460 -9.055 8.372 1.00 0.00 H new ATOM 0 HG2 LYS A 37 5.730 -10.335 6.077 1.00 0.00 H new ATOM 0 HG3 LYS A 37 7.460 -10.254 5.810 1.00 0.00 H new ATOM 0 HD2 LYS A 37 7.173 -11.039 8.525 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.956 -11.955 7.659 1.00 0.00 H new ATOM 0 HE2 LYS A 37 7.516 -13.193 6.489 1.00 0.00 H new ATOM 0 HE3 LYS A 37 8.615 -11.840 6.308 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 9.525 -13.517 7.774 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 9.250 -12.079 8.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 8.185 -13.390 8.810 1.00 0.00 H new ATOM 502 N ASP A 38 6.303 -6.020 8.146 1.00 0.00 N ATOM 503 CA ASP A 38 6.002 -4.943 9.074 1.00 0.00 C ATOM 504 C ASP A 38 4.785 -4.166 8.569 1.00 0.00 C ATOM 505 O ASP A 38 3.965 -3.706 9.362 1.00 0.00 O ATOM 506 CB ASP A 38 7.174 -3.966 9.183 1.00 0.00 C ATOM 507 CG ASP A 38 8.389 -4.497 9.947 1.00 0.00 C ATOM 508 OD1 ASP A 38 8.351 -5.691 10.315 1.00 0.00 O ATOM 509 OD2 ASP A 38 9.328 -3.696 10.146 1.00 0.00 O ATOM 0 H ASP A 38 7.292 -6.126 7.922 1.00 0.00 H new ATOM 0 HA ASP A 38 5.808 -5.385 10.052 1.00 0.00 H new ATOM 0 HB2 ASP A 38 7.489 -3.687 8.178 1.00 0.00 H new ATOM 0 HB3 ASP A 38 6.825 -3.056 9.672 1.00 0.00 H new ATOM 514 N ILE A 39 4.705 -4.044 7.252 1.00 0.00 N ATOM 515 CA ILE A 39 3.601 -3.331 6.632 1.00 0.00 C ATOM 516 C ILE A 39 2.350 -4.211 6.662 1.00 0.00 C ATOM 517 O ILE A 39 1.250 -3.724 6.917 1.00 0.00 O ATOM 518 CB ILE A 39 3.989 -2.859 5.229 1.00 0.00 C ATOM 519 CG1 ILE A 39 5.325 -2.114 5.251 1.00 0.00 C ATOM 520 CG2 ILE A 39 2.873 -2.018 4.606 1.00 0.00 C ATOM 521 CD1 ILE A 39 5.999 -2.158 3.878 1.00 0.00 C ATOM 0 H ILE A 39 5.387 -4.427 6.597 1.00 0.00 H new ATOM 0 HA ILE A 39 3.368 -2.427 7.194 1.00 0.00 H new ATOM 0 HB ILE A 39 4.121 -3.737 4.597 1.00 0.00 H new ATOM 0 HG12 ILE A 39 5.163 -1.078 5.548 1.00 0.00 H new ATOM 0 HG13 ILE A 39 5.982 -2.560 5.997 1.00 0.00 H new ATOM 0 HG21 ILE A 39 3.174 -1.695 3.609 1.00 0.00 H new ATOM 0 HG22 ILE A 39 1.964 -2.615 4.535 1.00 0.00 H new ATOM 0 HG23 ILE A 39 2.685 -1.144 5.229 1.00 0.00 H new ATOM 0 HD11 ILE A 39 6.947 -1.621 3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 39 6.181 -3.195 3.595 1.00 0.00 H new ATOM 0 HD13 ILE A 39 5.350 -1.689 3.139 1.00 0.00 H new ATOM 533 N GLU A 40 2.560 -5.492 6.396 1.00 0.00 N ATOM 534 CA GLU A 40 1.463 -6.444 6.389 1.00 0.00 C ATOM 535 C GLU A 40 0.792 -6.491 7.763 1.00 0.00 C ATOM 536 O GLU A 40 -0.406 -6.236 7.881 1.00 0.00 O ATOM 537 CB GLU A 40 1.946 -7.834 5.967 1.00 0.00 C ATOM 538 CG GLU A 40 1.261 -8.926 6.791 1.00 0.00 C ATOM 539 CD GLU A 40 1.354 -10.282 6.089 1.00 0.00 C ATOM 540 OE1 GLU A 40 2.486 -10.647 5.707 1.00 0.00 O ATOM 541 OE2 GLU A 40 0.290 -10.923 5.951 1.00 0.00 O ATOM 0 H GLU A 40 3.474 -5.893 6.184 1.00 0.00 H new ATOM 0 HA GLU A 40 0.726 -6.114 5.657 1.00 0.00 H new ATOM 0 HB2 GLU A 40 1.739 -7.989 4.908 1.00 0.00 H new ATOM 0 HB3 GLU A 40 3.026 -7.902 6.094 1.00 0.00 H new ATOM 0 HG2 GLU A 40 1.725 -8.989 7.775 1.00 0.00 H new ATOM 0 HG3 GLU A 40 0.214 -8.665 6.949 1.00 0.00 H new ATOM 548 N ASP A 41 1.592 -6.818 8.767 1.00 0.00 N ATOM 549 CA ASP A 41 1.090 -6.901 10.128 1.00 0.00 C ATOM 550 C ASP A 41 0.178 -5.704 10.404 1.00 0.00 C ATOM 551 O ASP A 41 -0.953 -5.873 10.857 1.00 0.00 O ATOM 552 CB ASP A 41 2.236 -6.867 11.140 1.00 0.00 C ATOM 553 CG ASP A 41 1.814 -6.600 12.586 1.00 0.00 C ATOM 554 OD1 ASP A 41 1.641 -5.406 12.916 1.00 0.00 O ATOM 555 OD2 ASP A 41 1.672 -7.595 13.329 1.00 0.00 O ATOM 0 H ASP A 41 2.585 -7.029 8.665 1.00 0.00 H new ATOM 0 HA ASP A 41 0.546 -7.840 10.231 1.00 0.00 H new ATOM 0 HB2 ASP A 41 2.763 -7.820 11.101 1.00 0.00 H new ATOM 0 HB3 ASP A 41 2.946 -6.098 10.837 1.00 0.00 H new ATOM 560 N VAL A 42 0.705 -4.522 10.121 1.00 0.00 N ATOM 561 CA VAL A 42 -0.048 -3.297 10.334 1.00 0.00 C ATOM 562 C VAL A 42 -1.485 -3.496 9.848 1.00 0.00 C ATOM 563 O VAL A 42 -2.425 -3.438 10.639 1.00 0.00 O ATOM 564 CB VAL A 42 0.658 -2.124 9.650 1.00 0.00 C ATOM 565 CG1 VAL A 42 -0.278 -0.920 9.524 1.00 0.00 C ATOM 566 CG2 VAL A 42 1.940 -1.747 10.395 1.00 0.00 C ATOM 0 H VAL A 42 1.644 -4.386 9.746 1.00 0.00 H new ATOM 0 HA VAL A 42 -0.095 -3.056 11.396 1.00 0.00 H new ATOM 0 HB VAL A 42 0.936 -2.439 8.644 1.00 0.00 H new ATOM 0 HG11 VAL A 42 0.248 -0.100 9.035 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.150 -1.197 8.931 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -0.600 -0.604 10.516 1.00 0.00 H new ATOM 0 HG21 VAL A 42 2.423 -0.911 9.889 1.00 0.00 H new ATOM 0 HG22 VAL A 42 1.695 -1.460 11.418 1.00 0.00 H new ATOM 0 HG23 VAL A 42 2.617 -2.601 10.410 1.00 0.00 H new ATOM 576 N PHE A 43 -1.610 -3.726 8.549 1.00 0.00 N ATOM 577 CA PHE A 43 -2.917 -3.934 7.948 1.00 0.00 C ATOM 578 C PHE A 43 -3.561 -5.221 8.468 1.00 0.00 C ATOM 579 O PHE A 43 -4.785 -5.323 8.536 1.00 0.00 O ATOM 580 CB PHE A 43 -2.700 -4.059 6.439 1.00 0.00 C ATOM 581 CG PHE A 43 -2.427 -2.728 5.736 1.00 0.00 C ATOM 582 CD1 PHE A 43 -3.453 -1.874 5.476 1.00 0.00 C ATOM 583 CD2 PHE A 43 -1.159 -2.398 5.373 1.00 0.00 C ATOM 584 CE1 PHE A 43 -3.201 -0.638 4.824 1.00 0.00 C ATOM 585 CE2 PHE A 43 -0.906 -1.162 4.721 1.00 0.00 C ATOM 586 CZ PHE A 43 -1.932 -0.308 4.460 1.00 0.00 C ATOM 0 H PHE A 43 -0.828 -3.773 7.896 1.00 0.00 H new ATOM 0 HA PHE A 43 -3.578 -3.103 8.196 1.00 0.00 H new ATOM 0 HB2 PHE A 43 -1.862 -4.732 6.258 1.00 0.00 H new ATOM 0 HB3 PHE A 43 -3.581 -4.520 5.993 1.00 0.00 H new ATOM 0 HD1 PHE A 43 -4.460 -2.136 5.766 1.00 0.00 H new ATOM 0 HD2 PHE A 43 -0.344 -3.076 5.580 1.00 0.00 H new ATOM 0 HE1 PHE A 43 -4.016 0.040 4.617 1.00 0.00 H new ATOM 0 HE2 PHE A 43 0.101 -0.900 4.432 1.00 0.00 H new ATOM 0 HZ PHE A 43 -1.740 0.632 3.964 1.00 0.00 H new ATOM 596 N TYR A 44 -2.708 -6.171 8.821 1.00 0.00 N ATOM 597 CA TYR A 44 -3.178 -7.447 9.332 1.00 0.00 C ATOM 598 C TYR A 44 -4.055 -7.251 10.571 1.00 0.00 C ATOM 599 O TYR A 44 -4.778 -8.161 10.974 1.00 0.00 O ATOM 600 CB TYR A 44 -1.926 -8.231 9.727 1.00 0.00 C ATOM 601 CG TYR A 44 -2.095 -9.750 9.661 1.00 0.00 C ATOM 602 CD1 TYR A 44 -2.740 -10.418 10.683 1.00 0.00 C ATOM 603 CD2 TYR A 44 -1.604 -10.453 8.579 1.00 0.00 C ATOM 604 CE1 TYR A 44 -2.900 -11.847 10.620 1.00 0.00 C ATOM 605 CE2 TYR A 44 -1.764 -11.882 8.517 1.00 0.00 C ATOM 606 CZ TYR A 44 -2.404 -12.509 9.540 1.00 0.00 C ATOM 607 OH TYR A 44 -2.555 -13.859 9.481 1.00 0.00 O ATOM 0 H TYR A 44 -1.693 -6.082 8.763 1.00 0.00 H new ATOM 0 HA TYR A 44 -3.775 -7.965 8.581 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -1.105 -7.938 9.072 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -1.640 -7.951 10.741 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -3.124 -9.868 11.529 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.100 -9.931 7.779 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -3.403 -12.382 11.412 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -1.384 -12.444 7.677 1.00 0.00 H new ATOM 0 HH TYR A 44 -2.153 -14.197 8.654 1.00 0.00 H new ATOM 617 N LYS A 45 -3.962 -6.059 11.140 1.00 0.00 N ATOM 618 CA LYS A 45 -4.737 -5.732 12.325 1.00 0.00 C ATOM 619 C LYS A 45 -6.225 -5.719 11.968 1.00 0.00 C ATOM 620 O LYS A 45 -7.079 -5.694 12.852 1.00 0.00 O ATOM 621 CB LYS A 45 -4.242 -4.425 12.946 1.00 0.00 C ATOM 622 CG LYS A 45 -4.801 -3.215 12.195 1.00 0.00 C ATOM 623 CD LYS A 45 -6.030 -2.647 12.907 1.00 0.00 C ATOM 624 CE LYS A 45 -5.621 -1.669 14.010 1.00 0.00 C ATOM 625 NZ LYS A 45 -6.150 -2.113 15.319 1.00 0.00 N ATOM 0 H LYS A 45 -3.361 -5.307 10.803 1.00 0.00 H new ATOM 0 HA LYS A 45 -4.599 -6.494 13.092 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -4.543 -4.379 13.993 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -3.153 -4.398 12.926 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -4.034 -2.445 12.117 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -5.067 -3.505 11.178 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -6.671 -2.140 12.186 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -6.615 -3.461 13.336 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -4.534 -1.597 14.056 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -5.997 -0.672 13.778 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -5.863 -1.438 16.056 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -7.188 -2.159 15.276 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -5.771 -3.055 15.545 1.00 0.00 H new ATOM 639 N TYR A 46 -6.489 -5.737 10.669 1.00 0.00 N ATOM 640 CA TYR A 46 -7.859 -5.727 10.184 1.00 0.00 C ATOM 641 C TYR A 46 -8.314 -7.136 9.799 1.00 0.00 C ATOM 642 O TYR A 46 -9.294 -7.645 10.341 1.00 0.00 O ATOM 643 CB TYR A 46 -7.857 -4.845 8.934 1.00 0.00 C ATOM 644 CG TYR A 46 -7.921 -3.345 9.231 1.00 0.00 C ATOM 645 CD1 TYR A 46 -9.136 -2.744 9.489 1.00 0.00 C ATOM 646 CD2 TYR A 46 -6.763 -2.594 9.240 1.00 0.00 C ATOM 647 CE1 TYR A 46 -9.196 -1.332 9.768 1.00 0.00 C ATOM 648 CE2 TYR A 46 -6.823 -1.182 9.518 1.00 0.00 C ATOM 649 CZ TYR A 46 -8.036 -0.621 9.769 1.00 0.00 C ATOM 650 OH TYR A 46 -8.093 0.712 10.032 1.00 0.00 O ATOM 0 H TYR A 46 -5.778 -5.758 9.938 1.00 0.00 H new ATOM 0 HA TYR A 46 -8.537 -5.359 10.954 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -6.956 -5.053 8.357 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -8.707 -5.118 8.308 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -10.042 -3.332 9.482 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -5.812 -3.065 9.039 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -10.140 -0.849 9.972 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -5.925 -0.582 9.527 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.742 1.136 9.433 1.00 0.00 H new ATOM 660 N GLY A 47 -7.581 -7.726 8.867 1.00 0.00 N ATOM 661 CA GLY A 47 -7.897 -9.066 8.403 1.00 0.00 C ATOM 662 C GLY A 47 -6.638 -9.794 7.928 1.00 0.00 C ATOM 663 O GLY A 47 -5.656 -9.887 8.664 1.00 0.00 O ATOM 0 H GLY A 47 -6.769 -7.301 8.420 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -8.367 -9.632 9.208 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -8.619 -9.012 7.588 1.00 0.00 H new ATOM 667 N ALA A 48 -6.707 -10.290 6.702 1.00 0.00 N ATOM 668 CA ALA A 48 -5.584 -11.006 6.120 1.00 0.00 C ATOM 669 C ALA A 48 -5.201 -10.352 4.792 1.00 0.00 C ATOM 670 O ALA A 48 -5.995 -9.619 4.205 1.00 0.00 O ATOM 671 CB ALA A 48 -5.949 -12.483 5.959 1.00 0.00 C ATOM 0 H ALA A 48 -7.523 -10.210 6.095 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.714 -10.954 6.775 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.107 -13.020 5.523 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -6.184 -12.908 6.935 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -6.816 -12.574 5.305 1.00 0.00 H new ATOM 677 N ILE A 49 -3.983 -10.641 4.356 1.00 0.00 N ATOM 678 CA ILE A 49 -3.485 -10.090 3.107 1.00 0.00 C ATOM 679 C ILE A 49 -3.357 -11.212 2.075 1.00 0.00 C ATOM 680 O ILE A 49 -2.931 -12.318 2.404 1.00 0.00 O ATOM 681 CB ILE A 49 -2.184 -9.320 3.343 1.00 0.00 C ATOM 682 CG1 ILE A 49 -2.438 -8.049 4.157 1.00 0.00 C ATOM 683 CG2 ILE A 49 -1.476 -9.021 2.020 1.00 0.00 C ATOM 684 CD1 ILE A 49 -1.200 -7.660 4.967 1.00 0.00 C ATOM 0 H ILE A 49 -3.327 -11.249 4.846 1.00 0.00 H new ATOM 0 HA ILE A 49 -4.190 -9.364 2.703 1.00 0.00 H new ATOM 0 HB ILE A 49 -1.516 -9.950 3.930 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -2.710 -7.233 3.488 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -3.282 -8.206 4.829 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.554 -8.473 2.216 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -1.241 -9.957 1.514 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -2.128 -8.419 1.386 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.407 -6.754 5.536 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -0.945 -8.468 5.652 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -0.364 -7.480 4.291 1.00 0.00 H new ATOM 696 N ARG A 50 -3.733 -10.888 0.846 1.00 0.00 N ATOM 697 CA ARG A 50 -3.665 -11.854 -0.236 1.00 0.00 C ATOM 698 C ARG A 50 -2.273 -11.844 -0.871 1.00 0.00 C ATOM 699 O ARG A 50 -1.788 -12.878 -1.329 1.00 0.00 O ATOM 700 CB ARG A 50 -4.711 -11.551 -1.311 1.00 0.00 C ATOM 701 CG ARG A 50 -4.574 -12.511 -2.495 1.00 0.00 C ATOM 702 CD ARG A 50 -5.940 -12.814 -3.115 1.00 0.00 C ATOM 703 NE ARG A 50 -5.867 -12.684 -4.588 1.00 0.00 N ATOM 704 CZ ARG A 50 -6.905 -12.884 -5.412 1.00 0.00 C ATOM 705 NH1 ARG A 50 -8.100 -13.226 -4.912 1.00 0.00 N ATOM 706 NH2 ARG A 50 -6.746 -12.744 -6.735 1.00 0.00 N ATOM 0 H ARG A 50 -4.086 -9.970 0.576 1.00 0.00 H new ATOM 0 HA ARG A 50 -3.868 -12.838 0.185 1.00 0.00 H new ATOM 0 HB2 ARG A 50 -5.711 -11.634 -0.885 1.00 0.00 H new ATOM 0 HB3 ARG A 50 -4.596 -10.523 -1.656 1.00 0.00 H new ATOM 0 HG2 ARG A 50 -3.918 -12.075 -3.248 1.00 0.00 H new ATOM 0 HG3 ARG A 50 -4.107 -13.439 -2.164 1.00 0.00 H new ATOM 0 HD2 ARG A 50 -6.255 -13.822 -2.846 1.00 0.00 H new ATOM 0 HD3 ARG A 50 -6.689 -12.129 -2.718 1.00 0.00 H new ATOM 0 HE ARG A 50 -4.971 -12.426 -5.002 1.00 0.00 H new ATOM 0 HH11 ARG A 50 -8.219 -13.334 -3.905 1.00 0.00 H new ATOM 0 HH12 ARG A 50 -8.890 -13.378 -5.539 1.00 0.00 H new ATOM 0 HH21 ARG A 50 -5.835 -12.485 -7.115 1.00 0.00 H new ATOM 0 HH22 ARG A 50 -7.536 -12.896 -7.362 1.00 0.00 H new ATOM 720 N ASP A 51 -1.670 -10.664 -0.879 1.00 0.00 N ATOM 721 CA ASP A 51 -0.343 -10.506 -1.450 1.00 0.00 C ATOM 722 C ASP A 51 0.086 -9.042 -1.333 1.00 0.00 C ATOM 723 O ASP A 51 -0.756 -8.149 -1.248 1.00 0.00 O ATOM 724 CB ASP A 51 -0.333 -10.885 -2.932 1.00 0.00 C ATOM 725 CG ASP A 51 1.058 -11.013 -3.557 1.00 0.00 C ATOM 726 OD1 ASP A 51 1.969 -11.462 -2.828 1.00 0.00 O ATOM 727 OD2 ASP A 51 1.179 -10.659 -4.750 1.00 0.00 O ATOM 0 H ASP A 51 -2.076 -9.809 -0.499 1.00 0.00 H new ATOM 0 HA ASP A 51 0.339 -11.160 -0.906 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.858 -11.833 -3.053 1.00 0.00 H new ATOM 0 HB3 ASP A 51 -0.897 -10.135 -3.487 1.00 0.00 H new ATOM 732 N ILE A 52 1.396 -8.841 -1.333 1.00 0.00 N ATOM 733 CA ILE A 52 1.947 -7.501 -1.228 1.00 0.00 C ATOM 734 C ILE A 52 2.993 -7.297 -2.326 1.00 0.00 C ATOM 735 O ILE A 52 3.987 -8.018 -2.384 1.00 0.00 O ATOM 736 CB ILE A 52 2.481 -7.250 0.184 1.00 0.00 C ATOM 737 CG1 ILE A 52 1.391 -7.481 1.232 1.00 0.00 C ATOM 738 CG2 ILE A 52 3.099 -5.855 0.297 1.00 0.00 C ATOM 739 CD1 ILE A 52 1.984 -8.038 2.527 1.00 0.00 C ATOM 0 H ILE A 52 2.091 -9.584 -1.404 1.00 0.00 H new ATOM 0 HA ILE A 52 1.168 -6.755 -1.386 1.00 0.00 H new ATOM 0 HB ILE A 52 3.275 -7.970 0.382 1.00 0.00 H new ATOM 0 HG12 ILE A 52 0.875 -6.543 1.438 1.00 0.00 H new ATOM 0 HG13 ILE A 52 0.647 -8.175 0.841 1.00 0.00 H new ATOM 0 HG21 ILE A 52 3.471 -5.703 1.310 1.00 0.00 H new ATOM 0 HG22 ILE A 52 3.924 -5.764 -0.410 1.00 0.00 H new ATOM 0 HG23 ILE A 52 2.343 -5.103 0.071 1.00 0.00 H new ATOM 0 HD11 ILE A 52 1.187 -8.193 3.255 1.00 0.00 H new ATOM 0 HD12 ILE A 52 2.478 -8.988 2.322 1.00 0.00 H new ATOM 0 HD13 ILE A 52 2.710 -7.331 2.928 1.00 0.00 H new ATOM 751 N ASP A 53 2.732 -6.310 -3.171 1.00 0.00 N ATOM 752 CA ASP A 53 3.638 -6.001 -4.264 1.00 0.00 C ATOM 753 C ASP A 53 4.441 -4.746 -3.917 1.00 0.00 C ATOM 754 O ASP A 53 3.897 -3.643 -3.895 1.00 0.00 O ATOM 755 CB ASP A 53 2.867 -5.727 -5.557 1.00 0.00 C ATOM 756 CG ASP A 53 3.528 -6.263 -6.829 1.00 0.00 C ATOM 757 OD1 ASP A 53 4.764 -6.113 -6.933 1.00 0.00 O ATOM 758 OD2 ASP A 53 2.781 -6.810 -7.669 1.00 0.00 O ATOM 0 H ASP A 53 1.906 -5.714 -3.121 1.00 0.00 H new ATOM 0 HA ASP A 53 4.295 -6.859 -4.410 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.873 -6.165 -5.470 1.00 0.00 H new ATOM 0 HB3 ASP A 53 2.733 -4.650 -5.661 1.00 0.00 H new ATOM 763 N LEU A 54 5.722 -4.956 -3.654 1.00 0.00 N ATOM 764 CA LEU A 54 6.606 -3.855 -3.309 1.00 0.00 C ATOM 765 C LEU A 54 7.596 -3.625 -4.452 1.00 0.00 C ATOM 766 O LEU A 54 8.313 -4.541 -4.851 1.00 0.00 O ATOM 767 CB LEU A 54 7.275 -4.109 -1.957 1.00 0.00 C ATOM 768 CG LEU A 54 8.450 -3.193 -1.608 1.00 0.00 C ATOM 769 CD1 LEU A 54 7.977 -1.970 -0.819 1.00 0.00 C ATOM 770 CD2 LEU A 54 9.544 -3.964 -0.867 1.00 0.00 C ATOM 0 H LEU A 54 6.170 -5.872 -3.673 1.00 0.00 H new ATOM 0 HA LEU A 54 6.038 -2.933 -3.189 1.00 0.00 H new ATOM 0 HB2 LEU A 54 6.520 -4.012 -1.177 1.00 0.00 H new ATOM 0 HB3 LEU A 54 7.625 -5.141 -1.935 1.00 0.00 H new ATOM 0 HG LEU A 54 8.886 -2.827 -2.538 1.00 0.00 H new ATOM 0 HD11 LEU A 54 8.832 -1.336 -0.584 1.00 0.00 H new ATOM 0 HD12 LEU A 54 7.260 -1.406 -1.416 1.00 0.00 H new ATOM 0 HD13 LEU A 54 7.501 -2.296 0.106 1.00 0.00 H new ATOM 0 HD21 LEU A 54 10.368 -3.290 -0.631 1.00 0.00 H new ATOM 0 HD22 LEU A 54 9.137 -4.377 0.056 1.00 0.00 H new ATOM 0 HD23 LEU A 54 9.908 -4.775 -1.498 1.00 0.00 H new ATOM 782 N LYS A 55 7.605 -2.395 -4.946 1.00 0.00 N ATOM 783 CA LYS A 55 8.496 -2.032 -6.034 1.00 0.00 C ATOM 784 C LYS A 55 9.899 -1.782 -5.478 1.00 0.00 C ATOM 785 O LYS A 55 10.836 -2.514 -5.794 1.00 0.00 O ATOM 786 CB LYS A 55 7.927 -0.850 -6.821 1.00 0.00 C ATOM 787 CG LYS A 55 6.791 -1.300 -7.742 1.00 0.00 C ATOM 788 CD LYS A 55 7.137 -1.039 -9.209 1.00 0.00 C ATOM 789 CE LYS A 55 5.871 -0.927 -10.060 1.00 0.00 C ATOM 790 NZ LYS A 55 6.216 -0.876 -11.498 1.00 0.00 N ATOM 0 H LYS A 55 7.009 -1.638 -4.612 1.00 0.00 H new ATOM 0 HA LYS A 55 8.578 -2.851 -6.748 1.00 0.00 H new ATOM 0 HB2 LYS A 55 7.560 -0.091 -6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 55 8.718 -0.388 -7.412 1.00 0.00 H new ATOM 0 HG2 LYS A 55 6.598 -2.362 -7.594 1.00 0.00 H new ATOM 0 HG3 LYS A 55 5.875 -0.770 -7.481 1.00 0.00 H new ATOM 0 HD2 LYS A 55 7.717 -0.120 -9.291 1.00 0.00 H new ATOM 0 HD3 LYS A 55 7.764 -1.847 -9.588 1.00 0.00 H new ATOM 0 HE2 LYS A 55 5.219 -1.779 -9.866 1.00 0.00 H new ATOM 0 HE3 LYS A 55 5.316 -0.031 -9.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 55 5.345 -0.800 -12.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 55 6.820 -0.049 -11.681 1.00 0.00 H new ATOM 0 HZ3 LYS A 55 6.726 -1.743 -11.764 1.00 0.00 H new ATOM 880 N PRO A 61 10.078 7.700 -2.576 1.00 0.00 N ATOM 881 CA PRO A 61 10.064 6.715 -1.508 1.00 0.00 C ATOM 882 C PRO A 61 9.602 5.351 -2.024 1.00 0.00 C ATOM 883 O PRO A 61 9.111 5.243 -3.147 1.00 0.00 O ATOM 884 CB PRO A 61 9.139 7.295 -0.451 1.00 0.00 C ATOM 885 CG PRO A 61 8.309 8.353 -1.159 1.00 0.00 C ATOM 886 CD PRO A 61 8.966 8.641 -2.499 1.00 0.00 C ATOM 0 HA PRO A 61 11.055 6.530 -1.094 1.00 0.00 H new ATOM 0 HB2 PRO A 61 8.502 6.521 -0.022 1.00 0.00 H new ATOM 0 HB3 PRO A 61 9.709 7.730 0.370 1.00 0.00 H new ATOM 0 HG2 PRO A 61 7.287 8.003 -1.302 1.00 0.00 H new ATOM 0 HG3 PRO A 61 8.254 9.261 -0.558 1.00 0.00 H new ATOM 0 HD2 PRO A 61 8.267 8.496 -3.322 1.00 0.00 H new ATOM 0 HD3 PRO A 61 9.315 9.672 -2.555 1.00 0.00 H new ATOM 894 N PRO A 62 9.780 4.318 -1.158 1.00 0.00 N ATOM 895 CA PRO A 62 9.387 2.966 -1.516 1.00 0.00 C ATOM 896 C PRO A 62 7.867 2.802 -1.452 1.00 0.00 C ATOM 897 O PRO A 62 7.244 3.134 -0.445 1.00 0.00 O ATOM 898 CB PRO A 62 10.122 2.069 -0.533 1.00 0.00 C ATOM 899 CG PRO A 62 10.530 2.966 0.625 1.00 0.00 C ATOM 900 CD PRO A 62 10.359 4.409 0.179 1.00 0.00 C ATOM 0 HA PRO A 62 9.650 2.710 -2.542 1.00 0.00 H new ATOM 0 HB2 PRO A 62 9.481 1.257 -0.191 1.00 0.00 H new ATOM 0 HB3 PRO A 62 10.995 1.611 -0.999 1.00 0.00 H new ATOM 0 HG2 PRO A 62 9.915 2.762 1.501 1.00 0.00 H new ATOM 0 HG3 PRO A 62 11.564 2.775 0.910 1.00 0.00 H new ATOM 0 HD2 PRO A 62 9.706 4.958 0.857 1.00 0.00 H new ATOM 0 HD3 PRO A 62 11.314 4.934 0.162 1.00 0.00 H new ATOM 908 N PHE A 63 7.313 2.290 -2.542 1.00 0.00 N ATOM 909 CA PHE A 63 5.877 2.078 -2.623 1.00 0.00 C ATOM 910 C PHE A 63 5.555 0.609 -2.903 1.00 0.00 C ATOM 911 O PHE A 63 6.350 -0.098 -3.520 1.00 0.00 O ATOM 912 CB PHE A 63 5.364 2.931 -3.784 1.00 0.00 C ATOM 913 CG PHE A 63 6.161 2.763 -5.080 1.00 0.00 C ATOM 914 CD1 PHE A 63 7.393 3.327 -5.198 1.00 0.00 C ATOM 915 CD2 PHE A 63 5.638 2.049 -6.112 1.00 0.00 C ATOM 916 CE1 PHE A 63 8.133 3.170 -6.400 1.00 0.00 C ATOM 917 CE2 PHE A 63 6.377 1.892 -7.314 1.00 0.00 C ATOM 918 CZ PHE A 63 7.609 2.456 -7.433 1.00 0.00 C ATOM 0 H PHE A 63 7.832 2.016 -3.376 1.00 0.00 H new ATOM 0 HA PHE A 63 5.406 2.351 -1.679 1.00 0.00 H new ATOM 0 HB2 PHE A 63 4.321 2.677 -3.975 1.00 0.00 H new ATOM 0 HB3 PHE A 63 5.387 3.980 -3.489 1.00 0.00 H new ATOM 0 HD1 PHE A 63 7.808 3.894 -4.378 1.00 0.00 H new ATOM 0 HD2 PHE A 63 4.660 1.601 -6.017 1.00 0.00 H new ATOM 0 HE1 PHE A 63 9.112 3.617 -6.494 1.00 0.00 H new ATOM 0 HE2 PHE A 63 5.961 1.325 -8.134 1.00 0.00 H new ATOM 0 HZ PHE A 63 8.171 2.337 -8.347 1.00 0.00 H new ATOM 928 N ALA A 64 4.387 0.194 -2.435 1.00 0.00 N ATOM 929 CA ALA A 64 3.949 -1.179 -2.628 1.00 0.00 C ATOM 930 C ALA A 64 2.420 -1.222 -2.658 1.00 0.00 C ATOM 931 O ALA A 64 1.761 -0.243 -2.314 1.00 0.00 O ATOM 932 CB ALA A 64 4.536 -2.061 -1.525 1.00 0.00 C ATOM 0 H ALA A 64 3.731 0.783 -1.923 1.00 0.00 H new ATOM 0 HA ALA A 64 4.308 -1.567 -3.581 1.00 0.00 H new ATOM 0 HB1 ALA A 64 4.208 -3.090 -1.669 1.00 0.00 H new ATOM 0 HB2 ALA A 64 5.624 -2.018 -1.565 1.00 0.00 H new ATOM 0 HB3 ALA A 64 4.195 -1.704 -0.553 1.00 0.00 H new ATOM 938 N PHE A 65 1.901 -2.369 -3.073 1.00 0.00 N ATOM 939 CA PHE A 65 0.462 -2.553 -3.152 1.00 0.00 C ATOM 940 C PHE A 65 0.014 -3.744 -2.302 1.00 0.00 C ATOM 941 O PHE A 65 0.425 -4.877 -2.549 1.00 0.00 O ATOM 942 CB PHE A 65 0.127 -2.833 -4.618 1.00 0.00 C ATOM 943 CG PHE A 65 0.169 -1.593 -5.514 1.00 0.00 C ATOM 944 CD1 PHE A 65 -0.945 -0.830 -5.671 1.00 0.00 C ATOM 945 CD2 PHE A 65 1.321 -1.255 -6.153 1.00 0.00 C ATOM 946 CE1 PHE A 65 -0.906 0.321 -6.502 1.00 0.00 C ATOM 947 CE2 PHE A 65 1.360 -0.104 -6.985 1.00 0.00 C ATOM 948 CZ PHE A 65 0.245 0.659 -7.142 1.00 0.00 C ATOM 0 H PHE A 65 2.451 -3.179 -3.358 1.00 0.00 H new ATOM 0 HA PHE A 65 -0.048 -1.664 -2.781 1.00 0.00 H new ATOM 0 HB2 PHE A 65 0.828 -3.572 -5.005 1.00 0.00 H new ATOM 0 HB3 PHE A 65 -0.867 -3.276 -4.675 1.00 0.00 H new ATOM 0 HD1 PHE A 65 -1.860 -1.099 -5.164 1.00 0.00 H new ATOM 0 HD2 PHE A 65 2.206 -1.861 -6.028 1.00 0.00 H new ATOM 0 HE1 PHE A 65 -1.791 0.928 -6.626 1.00 0.00 H new ATOM 0 HE2 PHE A 65 2.275 0.165 -7.493 1.00 0.00 H new ATOM 0 HZ PHE A 65 0.274 1.533 -7.775 1.00 0.00 H new ATOM 958 N VAL A 66 -0.823 -3.447 -1.319 1.00 0.00 N ATOM 959 CA VAL A 66 -1.331 -4.479 -0.431 1.00 0.00 C ATOM 960 C VAL A 66 -2.726 -4.903 -0.896 1.00 0.00 C ATOM 961 O VAL A 66 -3.606 -4.064 -1.077 1.00 0.00 O ATOM 962 CB VAL A 66 -1.309 -3.982 1.016 1.00 0.00 C ATOM 963 CG1 VAL A 66 -1.793 -5.070 1.976 1.00 0.00 C ATOM 964 CG2 VAL A 66 0.087 -3.489 1.404 1.00 0.00 C ATOM 0 H VAL A 66 -1.162 -2.506 -1.118 1.00 0.00 H new ATOM 0 HA VAL A 66 -0.693 -5.362 -0.467 1.00 0.00 H new ATOM 0 HB VAL A 66 -1.996 -3.139 1.092 1.00 0.00 H new ATOM 0 HG11 VAL A 66 -1.768 -4.691 2.998 1.00 0.00 H new ATOM 0 HG12 VAL A 66 -2.814 -5.354 1.719 1.00 0.00 H new ATOM 0 HG13 VAL A 66 -1.143 -5.941 1.896 1.00 0.00 H new ATOM 0 HG21 VAL A 66 0.076 -3.141 2.437 1.00 0.00 H new ATOM 0 HG22 VAL A 66 0.802 -4.305 1.304 1.00 0.00 H new ATOM 0 HG23 VAL A 66 0.379 -2.669 0.748 1.00 0.00 H new ATOM 974 N GLU A 67 -2.883 -6.207 -1.076 1.00 0.00 N ATOM 975 CA GLU A 67 -4.156 -6.753 -1.516 1.00 0.00 C ATOM 976 C GLU A 67 -4.837 -7.502 -0.369 1.00 0.00 C ATOM 977 O GLU A 67 -4.171 -8.158 0.430 1.00 0.00 O ATOM 978 CB GLU A 67 -3.971 -7.663 -2.732 1.00 0.00 C ATOM 979 CG GLU A 67 -5.320 -8.018 -3.361 1.00 0.00 C ATOM 980 CD GLU A 67 -5.237 -7.990 -4.889 1.00 0.00 C ATOM 981 OE1 GLU A 67 -4.509 -8.848 -5.433 1.00 0.00 O ATOM 982 OE2 GLU A 67 -5.902 -7.110 -5.477 1.00 0.00 O ATOM 0 H GLU A 67 -2.150 -6.900 -0.925 1.00 0.00 H new ATOM 0 HA GLU A 67 -4.800 -5.926 -1.817 1.00 0.00 H new ATOM 0 HB2 GLU A 67 -3.341 -7.166 -3.470 1.00 0.00 H new ATOM 0 HB3 GLU A 67 -3.454 -8.575 -2.433 1.00 0.00 H new ATOM 0 HG2 GLU A 67 -5.631 -9.008 -3.028 1.00 0.00 H new ATOM 0 HG3 GLU A 67 -6.080 -7.314 -3.022 1.00 0.00 H new ATOM 989 N PHE A 68 -6.155 -7.380 -0.325 1.00 0.00 N ATOM 990 CA PHE A 68 -6.934 -8.037 0.711 1.00 0.00 C ATOM 991 C PHE A 68 -7.873 -9.084 0.109 1.00 0.00 C ATOM 992 O PHE A 68 -8.135 -9.071 -1.093 1.00 0.00 O ATOM 993 CB PHE A 68 -7.769 -6.955 1.398 1.00 0.00 C ATOM 994 CG PHE A 68 -6.966 -6.054 2.339 1.00 0.00 C ATOM 995 CD1 PHE A 68 -6.265 -5.001 1.839 1.00 0.00 C ATOM 996 CD2 PHE A 68 -6.954 -6.305 3.676 1.00 0.00 C ATOM 997 CE1 PHE A 68 -5.521 -4.165 2.712 1.00 0.00 C ATOM 998 CE2 PHE A 68 -6.209 -5.469 4.549 1.00 0.00 C ATOM 999 CZ PHE A 68 -5.508 -4.416 4.049 1.00 0.00 C ATOM 0 H PHE A 68 -6.704 -6.836 -0.990 1.00 0.00 H new ATOM 0 HA PHE A 68 -6.270 -8.543 1.411 1.00 0.00 H new ATOM 0 HB2 PHE A 68 -8.242 -6.337 0.635 1.00 0.00 H new ATOM 0 HB3 PHE A 68 -8.569 -7.432 1.963 1.00 0.00 H new ATOM 0 HD1 PHE A 68 -6.275 -4.801 0.778 1.00 0.00 H new ATOM 0 HD2 PHE A 68 -7.511 -7.140 4.073 1.00 0.00 H new ATOM 0 HE1 PHE A 68 -4.965 -3.329 2.315 1.00 0.00 H new ATOM 0 HE2 PHE A 68 -6.199 -5.669 5.610 1.00 0.00 H new ATOM 0 HZ PHE A 68 -4.942 -3.780 4.713 1.00 0.00 H new ATOM 1009 N GLU A 69 -8.356 -9.966 0.973 1.00 0.00 N ATOM 1010 CA GLU A 69 -9.260 -11.018 0.542 1.00 0.00 C ATOM 1011 C GLU A 69 -10.645 -10.438 0.245 1.00 0.00 C ATOM 1012 O GLU A 69 -11.402 -11.002 -0.544 1.00 0.00 O ATOM 1013 CB GLU A 69 -9.345 -12.131 1.587 1.00 0.00 C ATOM 1014 CG GLU A 69 -8.113 -13.036 1.525 1.00 0.00 C ATOM 1015 CD GLU A 69 -8.115 -13.878 0.247 1.00 0.00 C ATOM 1016 OE1 GLU A 69 -9.061 -14.680 0.098 1.00 0.00 O ATOM 1017 OE2 GLU A 69 -7.169 -13.700 -0.551 1.00 0.00 O ATOM 0 H GLU A 69 -8.138 -9.973 1.969 1.00 0.00 H new ATOM 0 HA GLU A 69 -8.866 -11.456 -0.375 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -9.430 -11.695 2.582 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -10.245 -12.723 1.420 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -7.209 -12.429 1.563 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -8.094 -13.691 2.396 1.00 0.00 H new ATOM 1024 N ASP A 70 -10.934 -9.320 0.893 1.00 0.00 N ATOM 1025 CA ASP A 70 -12.215 -8.657 0.709 1.00 0.00 C ATOM 1026 C ASP A 70 -11.992 -7.147 0.601 1.00 0.00 C ATOM 1027 O ASP A 70 -10.970 -6.633 1.052 1.00 0.00 O ATOM 1028 CB ASP A 70 -13.144 -8.915 1.896 1.00 0.00 C ATOM 1029 CG ASP A 70 -13.950 -10.213 1.816 1.00 0.00 C ATOM 1030 OD1 ASP A 70 -13.403 -11.249 2.251 1.00 0.00 O ATOM 1031 OD2 ASP A 70 -15.097 -10.140 1.323 1.00 0.00 O ATOM 0 H ASP A 70 -10.304 -8.856 1.547 1.00 0.00 H new ATOM 0 HA ASP A 70 -12.672 -9.052 -0.198 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.547 -8.931 2.808 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -13.838 -8.079 1.984 1.00 0.00 H new ATOM 1036 N PRO A 71 -12.992 -6.462 -0.014 1.00 0.00 N ATOM 1037 CA PRO A 71 -12.916 -5.021 -0.186 1.00 0.00 C ATOM 1038 C PRO A 71 -13.184 -4.296 1.134 1.00 0.00 C ATOM 1039 O PRO A 71 -12.467 -3.363 1.491 1.00 0.00 O ATOM 1040 CB PRO A 71 -13.942 -4.698 -1.260 1.00 0.00 C ATOM 1041 CG PRO A 71 -14.876 -5.895 -1.318 1.00 0.00 C ATOM 1042 CD PRO A 71 -14.218 -7.037 -0.560 1.00 0.00 C ATOM 0 HA PRO A 71 -11.924 -4.686 -0.488 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -14.489 -3.787 -1.016 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -13.460 -4.532 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -15.841 -5.648 -0.875 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -15.065 -6.182 -2.352 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -14.866 -7.412 0.232 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -14.002 -7.877 -1.220 1.00 0.00 H new ATOM 1050 N ARG A 72 -14.220 -4.753 1.823 1.00 0.00 N ATOM 1051 CA ARG A 72 -14.592 -4.159 3.096 1.00 0.00 C ATOM 1052 C ARG A 72 -13.348 -3.926 3.957 1.00 0.00 C ATOM 1053 O ARG A 72 -13.275 -2.946 4.696 1.00 0.00 O ATOM 1054 CB ARG A 72 -15.570 -5.057 3.857 1.00 0.00 C ATOM 1055 CG ARG A 72 -16.944 -5.063 3.186 1.00 0.00 C ATOM 1056 CD ARG A 72 -18.032 -5.503 4.167 1.00 0.00 C ATOM 1057 NE ARG A 72 -17.896 -6.948 4.460 1.00 0.00 N ATOM 1058 CZ ARG A 72 -18.376 -7.540 5.561 1.00 0.00 C ATOM 1059 NH1 ARG A 72 -19.028 -6.815 6.482 1.00 0.00 N ATOM 1060 NH2 ARG A 72 -18.206 -8.856 5.743 1.00 0.00 N ATOM 0 H ARG A 72 -14.813 -5.527 1.524 1.00 0.00 H new ATOM 0 HA ARG A 72 -15.078 -3.206 2.888 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -15.178 -6.073 3.900 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -15.665 -4.708 4.885 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -17.172 -4.067 2.808 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -16.930 -5.735 2.328 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -17.955 -4.928 5.090 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -19.017 -5.300 3.746 1.00 0.00 H new ATOM 0 HE ARG A 72 -17.406 -7.529 3.780 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -19.158 -5.813 6.344 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -19.394 -7.266 7.321 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -17.711 -9.408 5.043 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -18.572 -9.306 6.582 1.00 0.00 H new ATOM 1074 N ASP A 73 -12.401 -4.844 3.832 1.00 0.00 N ATOM 1075 CA ASP A 73 -11.165 -4.751 4.590 1.00 0.00 C ATOM 1076 C ASP A 73 -10.173 -3.865 3.832 1.00 0.00 C ATOM 1077 O ASP A 73 -9.488 -3.040 4.434 1.00 0.00 O ATOM 1078 CB ASP A 73 -10.525 -6.129 4.771 1.00 0.00 C ATOM 1079 CG ASP A 73 -11.388 -7.151 5.514 1.00 0.00 C ATOM 1080 OD1 ASP A 73 -12.284 -6.700 6.260 1.00 0.00 O ATOM 1081 OD2 ASP A 73 -11.132 -8.359 5.319 1.00 0.00 O ATOM 0 H ASP A 73 -12.465 -5.656 3.217 1.00 0.00 H new ATOM 0 HA ASP A 73 -11.400 -4.331 5.568 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -10.279 -6.530 3.788 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -9.586 -6.009 5.311 1.00 0.00 H new ATOM 1086 N ALA A 74 -10.129 -4.067 2.524 1.00 0.00 N ATOM 1087 CA ALA A 74 -9.233 -3.296 1.678 1.00 0.00 C ATOM 1088 C ALA A 74 -9.472 -1.804 1.915 1.00 0.00 C ATOM 1089 O ALA A 74 -8.536 -1.007 1.875 1.00 0.00 O ATOM 1090 CB ALA A 74 -9.441 -3.696 0.216 1.00 0.00 C ATOM 0 H ALA A 74 -10.699 -4.753 2.029 1.00 0.00 H new ATOM 0 HA ALA A 74 -8.193 -3.506 1.928 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.769 -3.118 -0.418 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -9.229 -4.758 0.096 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -10.473 -3.497 -0.072 1.00 0.00 H new ATOM 1096 N GLU A 75 -10.732 -1.470 2.156 1.00 0.00 N ATOM 1097 CA GLU A 75 -11.106 -0.088 2.399 1.00 0.00 C ATOM 1098 C GLU A 75 -10.926 0.259 3.879 1.00 0.00 C ATOM 1099 O GLU A 75 -10.216 1.206 4.216 1.00 0.00 O ATOM 1100 CB GLU A 75 -12.542 0.180 1.945 1.00 0.00 C ATOM 1101 CG GLU A 75 -12.767 -0.319 0.516 1.00 0.00 C ATOM 1102 CD GLU A 75 -14.260 -0.394 0.190 1.00 0.00 C ATOM 1103 OE1 GLU A 75 -15.035 -0.658 1.134 1.00 0.00 O ATOM 1104 OE2 GLU A 75 -14.593 -0.184 -0.997 1.00 0.00 O ATOM 0 H GLU A 75 -11.506 -2.133 2.188 1.00 0.00 H new ATOM 0 HA GLU A 75 -10.448 0.554 1.812 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -13.239 -0.315 2.621 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -12.751 1.249 1.998 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -12.270 0.348 -0.188 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -12.315 -1.303 0.395 1.00 0.00 H new ATOM 1111 N ASP A 76 -11.580 -0.527 4.721 1.00 0.00 N ATOM 1112 CA ASP A 76 -11.500 -0.315 6.157 1.00 0.00 C ATOM 1113 C ASP A 76 -10.063 0.048 6.536 1.00 0.00 C ATOM 1114 O ASP A 76 -9.840 0.841 7.449 1.00 0.00 O ATOM 1115 CB ASP A 76 -11.885 -1.582 6.923 1.00 0.00 C ATOM 1116 CG ASP A 76 -13.390 -1.817 7.070 1.00 0.00 C ATOM 1117 OD1 ASP A 76 -14.149 -0.927 6.629 1.00 0.00 O ATOM 1118 OD2 ASP A 76 -13.747 -2.881 7.620 1.00 0.00 O ATOM 0 H ASP A 76 -12.167 -1.311 4.437 1.00 0.00 H new ATOM 0 HA ASP A 76 -12.189 0.488 6.418 1.00 0.00 H new ATOM 0 HB2 ASP A 76 -11.446 -2.442 6.417 1.00 0.00 H new ATOM 0 HB3 ASP A 76 -11.441 -1.536 7.917 1.00 0.00 H new ATOM 1123 N ALA A 77 -9.126 -0.550 5.815 1.00 0.00 N ATOM 1124 CA ALA A 77 -7.717 -0.299 6.064 1.00 0.00 C ATOM 1125 C ALA A 77 -7.374 1.129 5.637 1.00 0.00 C ATOM 1126 O ALA A 77 -7.036 1.966 6.472 1.00 0.00 O ATOM 1127 CB ALA A 77 -6.874 -1.345 5.331 1.00 0.00 C ATOM 0 H ALA A 77 -9.315 -1.208 5.059 1.00 0.00 H new ATOM 0 HA ALA A 77 -7.494 -0.388 7.127 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -5.817 -1.156 5.518 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -7.134 -2.340 5.692 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -7.069 -1.285 4.260 1.00 0.00 H new ATOM 1133 N VAL A 78 -7.472 1.364 4.337 1.00 0.00 N ATOM 1134 CA VAL A 78 -7.177 2.677 3.789 1.00 0.00 C ATOM 1135 C VAL A 78 -7.978 3.735 4.551 1.00 0.00 C ATOM 1136 O VAL A 78 -7.523 4.866 4.711 1.00 0.00 O ATOM 1137 CB VAL A 78 -7.450 2.689 2.284 1.00 0.00 C ATOM 1138 CG1 VAL A 78 -8.899 3.086 1.993 1.00 0.00 C ATOM 1139 CG2 VAL A 78 -6.472 3.614 1.556 1.00 0.00 C ATOM 0 H VAL A 78 -7.752 0.667 3.647 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.121 2.915 3.916 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.297 1.677 1.908 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -9.067 3.087 0.916 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -9.574 2.372 2.465 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -9.090 4.083 2.391 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -6.688 3.604 0.488 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -6.578 4.629 1.938 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -5.452 3.269 1.723 1.00 0.00 H new ATOM 1149 N TYR A 79 -9.156 3.329 5.000 1.00 0.00 N ATOM 1150 CA TYR A 79 -10.024 4.228 5.741 1.00 0.00 C ATOM 1151 C TYR A 79 -9.434 4.552 7.115 1.00 0.00 C ATOM 1152 O TYR A 79 -9.910 5.455 7.802 1.00 0.00 O ATOM 1153 CB TYR A 79 -11.344 3.478 5.931 1.00 0.00 C ATOM 1154 CG TYR A 79 -12.393 3.782 4.859 1.00 0.00 C ATOM 1155 CD1 TYR A 79 -11.995 4.150 3.590 1.00 0.00 C ATOM 1156 CD2 TYR A 79 -13.736 3.688 5.162 1.00 0.00 C ATOM 1157 CE1 TYR A 79 -12.982 4.437 2.581 1.00 0.00 C ATOM 1158 CE2 TYR A 79 -14.723 3.974 4.153 1.00 0.00 C ATOM 1159 CZ TYR A 79 -14.297 4.335 2.912 1.00 0.00 C ATOM 1160 OH TYR A 79 -15.229 4.605 1.959 1.00 0.00 O ATOM 0 H TYR A 79 -9.530 2.390 4.865 1.00 0.00 H new ATOM 0 HA TYR A 79 -10.150 5.168 5.204 1.00 0.00 H new ATOM 0 HB2 TYR A 79 -11.144 2.407 5.935 1.00 0.00 H new ATOM 0 HB3 TYR A 79 -11.755 3.729 6.909 1.00 0.00 H new ATOM 0 HD1 TYR A 79 -10.944 4.223 3.353 1.00 0.00 H new ATOM 0 HD2 TYR A 79 -14.047 3.400 6.155 1.00 0.00 H new ATOM 0 HE1 TYR A 79 -12.684 4.727 1.584 1.00 0.00 H new ATOM 0 HE2 TYR A 79 -15.777 3.904 4.376 1.00 0.00 H new ATOM 0 HH TYR A 79 -16.126 4.490 2.337 1.00 0.00 H new ATOM 1170 N GLY A 80 -8.405 3.798 7.474 1.00 0.00 N ATOM 1171 CA GLY A 80 -7.744 3.994 8.754 1.00 0.00 C ATOM 1172 C GLY A 80 -6.242 4.218 8.566 1.00 0.00 C ATOM 1173 O GLY A 80 -5.744 5.321 8.781 1.00 0.00 O ATOM 0 H GLY A 80 -8.013 3.051 6.901 1.00 0.00 H new ATOM 0 HA2 GLY A 80 -8.182 4.851 9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 80 -7.909 3.124 9.390 1.00 0.00 H new ATOM 1177 N ARG A 81 -5.563 3.152 8.168 1.00 0.00 N ATOM 1178 CA ARG A 81 -4.128 3.218 7.949 1.00 0.00 C ATOM 1179 C ARG A 81 -3.750 4.555 7.308 1.00 0.00 C ATOM 1180 O ARG A 81 -2.823 5.225 7.762 1.00 0.00 O ATOM 1181 CB ARG A 81 -3.655 2.076 7.048 1.00 0.00 C ATOM 1182 CG ARG A 81 -4.031 0.717 7.642 1.00 0.00 C ATOM 1183 CD ARG A 81 -3.640 0.638 9.119 1.00 0.00 C ATOM 1184 NE ARG A 81 -4.669 1.301 9.951 1.00 0.00 N ATOM 1185 CZ ARG A 81 -4.427 1.848 11.150 1.00 0.00 C ATOM 1186 NH1 ARG A 81 -3.191 1.813 11.665 1.00 0.00 N ATOM 1187 NH2 ARG A 81 -5.422 2.429 11.834 1.00 0.00 N ATOM 0 H ARG A 81 -5.980 2.238 7.992 1.00 0.00 H new ATOM 0 HA ARG A 81 -3.640 3.125 8.919 1.00 0.00 H new ATOM 0 HB2 ARG A 81 -4.100 2.180 6.059 1.00 0.00 H new ATOM 0 HB3 ARG A 81 -2.574 2.134 6.919 1.00 0.00 H new ATOM 0 HG2 ARG A 81 -5.104 0.554 7.537 1.00 0.00 H new ATOM 0 HG3 ARG A 81 -3.532 -0.077 7.087 1.00 0.00 H new ATOM 0 HD2 ARG A 81 -3.533 -0.404 9.420 1.00 0.00 H new ATOM 0 HD3 ARG A 81 -2.672 1.115 9.274 1.00 0.00 H new ATOM 0 HE ARG A 81 -5.622 1.344 9.589 1.00 0.00 H new ATOM 0 HH11 ARG A 81 -2.434 1.370 11.144 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -3.007 2.229 12.578 1.00 0.00 H new ATOM 0 HH21 ARG A 81 -6.363 2.455 11.442 1.00 0.00 H new ATOM 0 HH22 ARG A 81 -5.238 2.845 12.747 1.00 0.00 H new ATOM 1201 N ASP A 82 -4.486 4.904 6.264 1.00 0.00 N ATOM 1202 CA ASP A 82 -4.240 6.148 5.556 1.00 0.00 C ATOM 1203 C ASP A 82 -3.928 7.252 6.568 1.00 0.00 C ATOM 1204 O ASP A 82 -4.837 7.828 7.165 1.00 0.00 O ATOM 1205 CB ASP A 82 -5.468 6.578 4.752 1.00 0.00 C ATOM 1206 CG ASP A 82 -5.362 7.955 4.095 1.00 0.00 C ATOM 1207 OD1 ASP A 82 -5.155 8.930 4.849 1.00 0.00 O ATOM 1208 OD2 ASP A 82 -5.490 8.002 2.852 1.00 0.00 O ATOM 0 H ASP A 82 -5.254 4.346 5.891 1.00 0.00 H new ATOM 0 HA ASP A 82 -3.403 5.989 4.877 1.00 0.00 H new ATOM 0 HB2 ASP A 82 -5.654 5.835 3.976 1.00 0.00 H new ATOM 0 HB3 ASP A 82 -6.335 6.573 5.412 1.00 0.00 H new ATOM 1213 N GLY A 83 -2.639 7.515 6.731 1.00 0.00 N ATOM 1214 CA GLY A 83 -2.196 8.540 7.661 1.00 0.00 C ATOM 1215 C GLY A 83 -1.683 7.916 8.960 1.00 0.00 C ATOM 1216 O GLY A 83 -1.948 8.429 10.046 1.00 0.00 O ATOM 0 H GLY A 83 -1.888 7.036 6.235 1.00 0.00 H new ATOM 0 HA2 GLY A 83 -1.406 9.135 7.203 1.00 0.00 H new ATOM 0 HA3 GLY A 83 -3.021 9.218 7.880 1.00 0.00 H new ATOM 1220 N TYR A 84 -0.957 6.819 8.806 1.00 0.00 N ATOM 1221 CA TYR A 84 -0.404 6.120 9.954 1.00 0.00 C ATOM 1222 C TYR A 84 0.981 6.663 10.311 1.00 0.00 C ATOM 1223 O TYR A 84 1.578 7.410 9.537 1.00 0.00 O ATOM 1224 CB TYR A 84 -0.271 4.655 9.531 1.00 0.00 C ATOM 1225 CG TYR A 84 0.276 3.739 10.628 1.00 0.00 C ATOM 1226 CD1 TYR A 84 -0.518 3.399 11.703 1.00 0.00 C ATOM 1227 CD2 TYR A 84 1.565 3.252 10.540 1.00 0.00 C ATOM 1228 CE1 TYR A 84 -0.003 2.537 12.735 1.00 0.00 C ATOM 1229 CE2 TYR A 84 2.080 2.389 11.572 1.00 0.00 C ATOM 1230 CZ TYR A 84 1.270 2.074 12.619 1.00 0.00 C ATOM 1231 OH TYR A 84 1.757 1.260 13.593 1.00 0.00 O ATOM 0 H TYR A 84 -0.739 6.397 7.904 1.00 0.00 H new ATOM 0 HA TYR A 84 -1.045 6.247 10.827 1.00 0.00 H new ATOM 0 HB2 TYR A 84 -1.248 4.287 9.218 1.00 0.00 H new ATOM 0 HB3 TYR A 84 0.384 4.596 8.662 1.00 0.00 H new ATOM 0 HD1 TYR A 84 -1.527 3.779 11.771 1.00 0.00 H new ATOM 0 HD2 TYR A 84 2.187 3.518 9.698 1.00 0.00 H new ATOM 0 HE1 TYR A 84 -0.614 2.264 13.582 1.00 0.00 H new ATOM 0 HE2 TYR A 84 3.086 2.001 11.516 1.00 0.00 H new ATOM 0 HH TYR A 84 2.679 1.006 13.377 1.00 0.00 H new ATOM 1241 N ASP A 85 1.452 6.266 11.484 1.00 0.00 N ATOM 1242 CA ASP A 85 2.756 6.704 11.954 1.00 0.00 C ATOM 1243 C ASP A 85 3.634 5.480 12.220 1.00 0.00 C ATOM 1244 O ASP A 85 3.473 4.805 13.236 1.00 0.00 O ATOM 1245 CB ASP A 85 2.635 7.492 13.259 1.00 0.00 C ATOM 1246 CG ASP A 85 2.749 9.011 13.111 1.00 0.00 C ATOM 1247 OD1 ASP A 85 2.212 9.525 12.106 1.00 0.00 O ATOM 1248 OD2 ASP A 85 3.371 9.623 14.005 1.00 0.00 O ATOM 0 H ASP A 85 0.954 5.646 12.123 1.00 0.00 H new ATOM 0 HA ASP A 85 3.194 7.343 11.187 1.00 0.00 H new ATOM 0 HB2 ASP A 85 1.675 7.258 13.719 1.00 0.00 H new ATOM 0 HB3 ASP A 85 3.409 7.150 13.945 1.00 0.00 H new ATOM 1253 N TYR A 86 4.545 5.231 11.290 1.00 0.00 N ATOM 1254 CA TYR A 86 5.449 4.100 11.412 1.00 0.00 C ATOM 1255 C TYR A 86 6.805 4.540 11.968 1.00 0.00 C ATOM 1256 O TYR A 86 7.683 4.956 11.215 1.00 0.00 O ATOM 1257 CB TYR A 86 5.644 3.561 9.994 1.00 0.00 C ATOM 1258 CG TYR A 86 6.466 2.273 9.925 1.00 0.00 C ATOM 1259 CD1 TYR A 86 7.844 2.334 9.900 1.00 0.00 C ATOM 1260 CD2 TYR A 86 5.829 1.049 9.888 1.00 0.00 C ATOM 1261 CE1 TYR A 86 8.618 1.122 9.836 1.00 0.00 C ATOM 1262 CE2 TYR A 86 6.603 -0.164 9.823 1.00 0.00 C ATOM 1263 CZ TYR A 86 7.959 -0.068 9.800 1.00 0.00 C ATOM 1264 OH TYR A 86 8.690 -1.213 9.739 1.00 0.00 O ATOM 0 H TYR A 86 4.676 5.793 10.449 1.00 0.00 H new ATOM 0 HA TYR A 86 5.039 3.352 12.091 1.00 0.00 H new ATOM 0 HB2 TYR A 86 4.666 3.380 9.548 1.00 0.00 H new ATOM 0 HB3 TYR A 86 6.134 4.325 9.390 1.00 0.00 H new ATOM 0 HD1 TYR A 86 8.342 3.292 9.928 1.00 0.00 H new ATOM 0 HD2 TYR A 86 4.750 1.001 9.908 1.00 0.00 H new ATOM 0 HE1 TYR A 86 9.697 1.156 9.817 1.00 0.00 H new ATOM 0 HE2 TYR A 86 6.117 -1.128 9.793 1.00 0.00 H new ATOM 0 HH TYR A 86 8.403 -1.822 10.451 1.00 0.00 H new ATOM 1274 N ASP A 87 6.932 4.432 13.283 1.00 0.00 N ATOM 1275 CA ASP A 87 8.166 4.813 13.949 1.00 0.00 C ATOM 1276 C ASP A 87 8.539 6.241 13.544 1.00 0.00 C ATOM 1277 O ASP A 87 9.717 6.555 13.379 1.00 0.00 O ATOM 1278 CB ASP A 87 9.318 3.891 13.544 1.00 0.00 C ATOM 1279 CG ASP A 87 10.508 3.882 14.506 1.00 0.00 C ATOM 1280 OD1 ASP A 87 10.250 3.910 15.729 1.00 0.00 O ATOM 1281 OD2 ASP A 87 11.649 3.848 13.997 1.00 0.00 O ATOM 0 H ASP A 87 6.201 4.086 13.905 1.00 0.00 H new ATOM 0 HA ASP A 87 8.005 4.739 15.025 1.00 0.00 H new ATOM 0 HB2 ASP A 87 8.935 2.874 13.454 1.00 0.00 H new ATOM 0 HB3 ASP A 87 9.671 4.188 12.556 1.00 0.00 H new ATOM 1286 N GLY A 88 7.514 7.067 13.396 1.00 0.00 N ATOM 1287 CA GLY A 88 7.719 8.453 13.013 1.00 0.00 C ATOM 1288 C GLY A 88 7.432 8.660 11.525 1.00 0.00 C ATOM 1289 O GLY A 88 6.871 9.682 11.133 1.00 0.00 O ATOM 0 H GLY A 88 6.539 6.803 13.535 1.00 0.00 H new ATOM 0 HA2 GLY A 88 7.069 9.097 13.605 1.00 0.00 H new ATOM 0 HA3 GLY A 88 8.745 8.747 13.233 1.00 0.00 H new ATOM 1293 N TYR A 89 7.829 7.672 10.735 1.00 0.00 N ATOM 1294 CA TYR A 89 7.621 7.733 9.299 1.00 0.00 C ATOM 1295 C TYR A 89 6.135 7.610 8.954 1.00 0.00 C ATOM 1296 O TYR A 89 5.549 6.537 9.091 1.00 0.00 O ATOM 1297 CB TYR A 89 8.369 6.534 8.713 1.00 0.00 C ATOM 1298 CG TYR A 89 9.881 6.571 8.943 1.00 0.00 C ATOM 1299 CD1 TYR A 89 10.702 7.204 8.031 1.00 0.00 C ATOM 1300 CD2 TYR A 89 10.425 5.973 10.062 1.00 0.00 C ATOM 1301 CE1 TYR A 89 12.125 7.239 8.247 1.00 0.00 C ATOM 1302 CE2 TYR A 89 11.848 6.009 10.278 1.00 0.00 C ATOM 1303 CZ TYR A 89 12.628 6.640 9.360 1.00 0.00 C ATOM 1304 OH TYR A 89 13.972 6.673 9.564 1.00 0.00 O ATOM 0 H TYR A 89 8.293 6.825 11.063 1.00 0.00 H new ATOM 0 HA TYR A 89 7.976 8.683 8.900 1.00 0.00 H new ATOM 0 HB2 TYR A 89 7.968 5.620 9.150 1.00 0.00 H new ATOM 0 HB3 TYR A 89 8.176 6.487 7.641 1.00 0.00 H new ATOM 0 HD1 TYR A 89 10.277 7.673 7.156 1.00 0.00 H new ATOM 0 HD2 TYR A 89 9.783 5.478 10.776 1.00 0.00 H new ATOM 0 HE1 TYR A 89 12.779 7.730 7.541 1.00 0.00 H new ATOM 0 HE2 TYR A 89 12.286 5.545 11.149 1.00 0.00 H new ATOM 0 HH TYR A 89 14.188 6.207 10.399 1.00 0.00 H new ATOM 1314 N ARG A 90 5.568 8.723 8.513 1.00 0.00 N ATOM 1315 CA ARG A 90 4.162 8.753 8.148 1.00 0.00 C ATOM 1316 C ARG A 90 3.941 8.015 6.827 1.00 0.00 C ATOM 1317 O ARG A 90 4.736 8.147 5.897 1.00 0.00 O ATOM 1318 CB ARG A 90 3.660 10.192 8.010 1.00 0.00 C ATOM 1319 CG ARG A 90 4.556 10.998 7.068 1.00 0.00 C ATOM 1320 CD ARG A 90 5.123 12.232 7.772 1.00 0.00 C ATOM 1321 NE ARG A 90 5.284 13.339 6.803 1.00 0.00 N ATOM 1322 CZ ARG A 90 6.008 14.442 7.037 1.00 0.00 C ATOM 1323 NH1 ARG A 90 6.641 14.593 8.208 1.00 0.00 N ATOM 1324 NH2 ARG A 90 6.098 15.395 6.099 1.00 0.00 N ATOM 0 H ARG A 90 6.057 9.611 8.400 1.00 0.00 H new ATOM 0 HA ARG A 90 3.602 8.259 8.942 1.00 0.00 H new ATOM 0 HB2 ARG A 90 2.638 10.189 7.632 1.00 0.00 H new ATOM 0 HB3 ARG A 90 3.636 10.668 8.990 1.00 0.00 H new ATOM 0 HG2 ARG A 90 5.373 10.370 6.712 1.00 0.00 H new ATOM 0 HG3 ARG A 90 3.985 11.305 6.192 1.00 0.00 H new ATOM 0 HD2 ARG A 90 4.457 12.538 8.579 1.00 0.00 H new ATOM 0 HD3 ARG A 90 6.085 11.992 8.226 1.00 0.00 H new ATOM 0 HE ARG A 90 4.815 13.257 5.901 1.00 0.00 H new ATOM 0 HH11 ARG A 90 6.572 13.868 8.922 1.00 0.00 H new ATOM 0 HH12 ARG A 90 7.192 15.433 8.385 1.00 0.00 H new ATOM 0 HH21 ARG A 90 5.616 15.280 5.208 1.00 0.00 H new ATOM 0 HH22 ARG A 90 6.649 16.235 6.276 1.00 0.00 H new ATOM 1338 N LEU A 91 2.858 7.253 6.785 1.00 0.00 N ATOM 1339 CA LEU A 91 2.523 6.493 5.593 1.00 0.00 C ATOM 1340 C LEU A 91 1.313 7.133 4.909 1.00 0.00 C ATOM 1341 O LEU A 91 0.510 7.802 5.558 1.00 0.00 O ATOM 1342 CB LEU A 91 2.324 5.015 5.938 1.00 0.00 C ATOM 1343 CG LEU A 91 3.459 4.350 6.720 1.00 0.00 C ATOM 1344 CD1 LEU A 91 3.127 2.890 7.032 1.00 0.00 C ATOM 1345 CD2 LEU A 91 4.790 4.490 5.978 1.00 0.00 C ATOM 0 H LEU A 91 2.201 7.146 7.558 1.00 0.00 H new ATOM 0 HA LEU A 91 3.346 6.522 4.879 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.405 4.918 6.517 1.00 0.00 H new ATOM 0 HB3 LEU A 91 2.176 4.462 5.010 1.00 0.00 H new ATOM 0 HG LEU A 91 3.566 4.866 7.674 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.950 2.441 7.588 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.217 2.844 7.630 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.978 2.344 6.101 1.00 0.00 H new ATOM 0 HD21 LEU A 91 5.580 4.009 6.555 1.00 0.00 H new ATOM 0 HD22 LEU A 91 4.713 4.014 5.000 1.00 0.00 H new ATOM 0 HD23 LEU A 91 5.026 5.546 5.850 1.00 0.00 H new ATOM 1357 N ARG A 92 1.220 6.905 3.608 1.00 0.00 N ATOM 1358 CA ARG A 92 0.122 7.451 2.829 1.00 0.00 C ATOM 1359 C ARG A 92 -0.593 6.335 2.064 1.00 0.00 C ATOM 1360 O ARG A 92 -0.146 5.926 0.994 1.00 0.00 O ATOM 1361 CB ARG A 92 0.621 8.502 1.835 1.00 0.00 C ATOM 1362 CG ARG A 92 -0.317 9.710 1.798 1.00 0.00 C ATOM 1363 CD ARG A 92 -0.293 10.382 0.423 1.00 0.00 C ATOM 1364 NE ARG A 92 -0.714 11.795 0.543 1.00 0.00 N ATOM 1365 CZ ARG A 92 -1.983 12.190 0.711 1.00 0.00 C ATOM 1366 NH1 ARG A 92 -2.964 11.279 0.781 1.00 0.00 N ATOM 1367 NH2 ARG A 92 -2.272 13.494 0.810 1.00 0.00 N ATOM 0 H ARG A 92 1.887 6.349 3.073 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.573 7.924 3.523 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.624 8.824 2.114 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.693 8.062 0.840 1.00 0.00 H new ATOM 0 HG2 ARG A 92 -1.333 9.393 2.034 1.00 0.00 H new ATOM 0 HG3 ARG A 92 -0.021 10.428 2.563 1.00 0.00 H new ATOM 0 HD2 ARG A 92 0.710 10.328 -0.000 1.00 0.00 H new ATOM 0 HD3 ARG A 92 -0.957 9.853 -0.261 1.00 0.00 H new ATOM 0 HE ARG A 92 0.008 12.514 0.495 1.00 0.00 H new ATOM 0 HH11 ARG A 92 -2.744 10.286 0.706 1.00 0.00 H new ATOM 0 HH12 ARG A 92 -3.930 11.579 0.909 1.00 0.00 H new ATOM 0 HH21 ARG A 92 -1.526 14.187 0.757 1.00 0.00 H new ATOM 0 HH22 ARG A 92 -3.238 13.794 0.938 1.00 0.00 H new ATOM 1381 N VAL A 93 -1.692 5.874 2.644 1.00 0.00 N ATOM 1382 CA VAL A 93 -2.473 4.813 2.030 1.00 0.00 C ATOM 1383 C VAL A 93 -3.576 5.431 1.169 1.00 0.00 C ATOM 1384 O VAL A 93 -4.315 6.299 1.629 1.00 0.00 O ATOM 1385 CB VAL A 93 -3.013 3.871 3.108 1.00 0.00 C ATOM 1386 CG1 VAL A 93 -3.556 2.582 2.487 1.00 0.00 C ATOM 1387 CG2 VAL A 93 -1.942 3.566 4.157 1.00 0.00 C ATOM 0 H VAL A 93 -2.060 6.216 3.532 1.00 0.00 H new ATOM 0 HA VAL A 93 -1.848 4.209 1.373 1.00 0.00 H new ATOM 0 HB VAL A 93 -3.839 4.375 3.610 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -3.934 1.930 3.274 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -4.364 2.823 1.797 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -2.757 2.074 1.947 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -2.352 2.895 4.911 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -1.086 3.092 3.676 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -1.623 4.494 4.632 1.00 0.00 H new ATOM 1397 N GLU A 94 -3.651 4.959 -0.067 1.00 0.00 N ATOM 1398 CA GLU A 94 -4.652 5.454 -0.997 1.00 0.00 C ATOM 1399 C GLU A 94 -4.895 4.431 -2.109 1.00 0.00 C ATOM 1400 O GLU A 94 -3.969 3.746 -2.540 1.00 0.00 O ATOM 1401 CB GLU A 94 -4.237 6.808 -1.579 1.00 0.00 C ATOM 1402 CG GLU A 94 -3.020 6.662 -2.494 1.00 0.00 C ATOM 1403 CD GLU A 94 -3.304 7.239 -3.882 1.00 0.00 C ATOM 1404 OE1 GLU A 94 -3.588 8.455 -3.943 1.00 0.00 O ATOM 1405 OE2 GLU A 94 -3.231 6.452 -4.850 1.00 0.00 O ATOM 0 H GLU A 94 -3.035 4.239 -0.446 1.00 0.00 H new ATOM 0 HA GLU A 94 -5.585 5.599 -0.453 1.00 0.00 H new ATOM 0 HB2 GLU A 94 -5.068 7.237 -2.139 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -4.007 7.501 -0.769 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.165 7.173 -2.052 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.751 5.609 -2.582 1.00 0.00 H new ATOM 1412 N PHE A 95 -6.146 4.361 -2.541 1.00 0.00 N ATOM 1413 CA PHE A 95 -6.523 3.433 -3.594 1.00 0.00 C ATOM 1414 C PHE A 95 -5.928 3.858 -4.938 1.00 0.00 C ATOM 1415 O PHE A 95 -5.722 5.046 -5.181 1.00 0.00 O ATOM 1416 CB PHE A 95 -8.049 3.464 -3.692 1.00 0.00 C ATOM 1417 CG PHE A 95 -8.746 2.352 -2.906 1.00 0.00 C ATOM 1418 CD1 PHE A 95 -8.401 2.115 -1.612 1.00 0.00 C ATOM 1419 CD2 PHE A 95 -9.711 1.601 -3.501 1.00 0.00 C ATOM 1420 CE1 PHE A 95 -9.048 1.083 -0.882 1.00 0.00 C ATOM 1421 CE2 PHE A 95 -10.358 0.569 -2.771 1.00 0.00 C ATOM 1422 CZ PHE A 95 -10.013 0.331 -1.477 1.00 0.00 C ATOM 0 H PHE A 95 -6.911 4.932 -2.181 1.00 0.00 H new ATOM 0 HA PHE A 95 -6.151 2.435 -3.362 1.00 0.00 H new ATOM 0 HB2 PHE A 95 -8.406 4.429 -3.331 1.00 0.00 H new ATOM 0 HB3 PHE A 95 -8.337 3.389 -4.741 1.00 0.00 H new ATOM 0 HD1 PHE A 95 -7.635 2.712 -1.140 1.00 0.00 H new ATOM 0 HD2 PHE A 95 -9.985 1.789 -4.528 1.00 0.00 H new ATOM 0 HE1 PHE A 95 -8.774 0.895 0.146 1.00 0.00 H new ATOM 0 HE2 PHE A 95 -11.125 -0.027 -3.244 1.00 0.00 H new ATOM 0 HZ PHE A 95 -10.505 -0.454 -0.922 1.00 0.00 H new ATOM 1432 N PRO A 96 -5.663 2.838 -5.797 1.00 0.00 N ATOM 1433 CA PRO A 96 -5.096 3.095 -7.110 1.00 0.00 C ATOM 1434 C PRO A 96 -6.151 3.667 -8.060 1.00 0.00 C ATOM 1435 O PRO A 96 -5.909 4.670 -8.729 1.00 0.00 O ATOM 1436 CB PRO A 96 -4.547 1.754 -7.570 1.00 0.00 C ATOM 1437 CG PRO A 96 -5.234 0.705 -6.710 1.00 0.00 C ATOM 1438 CD PRO A 96 -5.894 1.420 -5.543 1.00 0.00 C ATOM 0 HA PRO A 96 -4.307 3.847 -7.088 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -4.754 1.589 -8.627 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -3.465 1.712 -7.447 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -5.976 0.160 -7.293 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -4.511 -0.027 -6.350 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -6.959 1.195 -5.493 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -5.458 1.112 -4.593 1.00 0.00 H new