USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 94 MET CE :methyl -167:sc= -1.31 (180deg=-1.56) USER MOD Set 1.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 2.1: A 28 TYR OH : rot 150:sc= -0.0961 USER MOD Set 2.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 65:sc= 0.887 USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 X(o=0,f=-0.037) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -8.88! C(o=-8.9!,f=-15!) USER MOD Single : A 93 ASN : amide:sc= -0.126 K(o=-0.13,f=-1.6!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -97:sc= 0.545 USER MOD Single : A 101 THR OG1 : rot 117:sc= -0.368 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 149:sc= -0.0397 (180deg=-0.225) USER MOD Single : A 111 MET CE :methyl 145:sc= -0.422 (180deg=-1.74) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -100:sc= -0.731 (180deg=-2.27!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.314 -3.927 4.376 1.00 0.00 N ATOM 266 CA PRO A 20 -12.417 -4.014 5.532 1.00 0.00 C ATOM 267 C PRO A 20 -10.949 -4.075 5.123 1.00 0.00 C ATOM 268 O PRO A 20 -10.544 -4.948 4.355 1.00 0.00 O ATOM 269 CB PRO A 20 -12.837 -5.321 6.210 1.00 0.00 C ATOM 270 CG PRO A 20 -13.386 -6.160 5.108 1.00 0.00 C ATOM 271 CD PRO A 20 -13.956 -5.217 4.072 1.00 0.00 C ATOM 0 HA PRO A 20 -12.497 -3.139 6.176 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -11.989 -5.807 6.693 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -13.585 -5.144 6.983 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -12.605 -6.783 4.673 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.158 -6.832 5.483 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -13.726 -5.549 3.060 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.041 -5.150 4.146 1.00 0.00 H new ATOM 279 N VAL A 21 -10.156 -3.142 5.641 1.00 0.00 N ATOM 280 CA VAL A 21 -8.732 -3.091 5.331 1.00 0.00 C ATOM 281 C VAL A 21 -8.020 -4.353 5.806 1.00 0.00 C ATOM 282 O VAL A 21 -8.110 -4.726 6.976 1.00 0.00 O ATOM 283 CB VAL A 21 -8.062 -1.863 5.974 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.576 -1.832 5.647 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.743 -0.583 5.515 1.00 0.00 C ATOM 0 H VAL A 21 -10.476 -2.411 6.277 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.646 -3.016 4.247 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.170 -1.938 7.056 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.120 -0.957 6.110 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.100 -2.735 6.030 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.442 -1.782 4.566 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.256 0.275 5.979 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.668 -0.500 4.431 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.793 -0.605 5.805 1.00 0.00 H new ATOM 295 N VAL A 22 -7.312 -5.007 4.891 1.00 0.00 N ATOM 296 CA VAL A 22 -6.583 -6.226 5.217 1.00 0.00 C ATOM 297 C VAL A 22 -5.373 -5.925 6.094 1.00 0.00 C ATOM 298 O VAL A 22 -5.205 -6.516 7.161 1.00 0.00 O ATOM 299 CB VAL A 22 -6.112 -6.955 3.944 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.292 -8.185 4.306 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.302 -7.334 3.076 1.00 0.00 C ATOM 0 H VAL A 22 -7.228 -4.713 3.918 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.272 -6.871 5.763 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.476 -6.279 3.373 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.968 -8.687 3.395 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.419 -7.883 4.884 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.901 -8.867 4.899 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.951 -7.848 2.181 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.966 -7.993 3.636 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.844 -6.433 2.788 1.00 0.00 H new ATOM 311 N ARG A 23 -4.532 -5.003 5.637 1.00 0.00 N ATOM 312 CA ARG A 23 -3.337 -4.623 6.381 1.00 0.00 C ATOM 313 C ARG A 23 -2.688 -3.384 5.771 1.00 0.00 C ATOM 314 O ARG A 23 -2.616 -3.246 4.550 1.00 0.00 O ATOM 315 CB ARG A 23 -2.335 -5.779 6.401 1.00 0.00 C ATOM 316 CG ARG A 23 -0.951 -5.377 6.885 1.00 0.00 C ATOM 317 CD ARG A 23 0.019 -6.547 6.832 1.00 0.00 C ATOM 318 NE ARG A 23 -0.164 -7.461 7.956 1.00 0.00 N ATOM 319 CZ ARG A 23 -1.045 -8.456 7.958 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.818 -8.663 6.901 1.00 0.00 N ATOM 321 NH2 ARG A 23 -1.153 -9.245 9.019 1.00 0.00 N ATOM 0 H ARG A 23 -4.656 -4.505 4.755 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.634 -4.390 7.404 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.720 -6.571 7.044 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.253 -6.195 5.397 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.572 -4.561 6.270 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -1.016 -5.003 7.907 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.119 -7.090 5.897 1.00 0.00 H new ATOM 0 HD3 ARG A 23 1.042 -6.170 6.834 1.00 0.00 H new ATOM 0 HE ARG A 23 0.416 -7.329 8.785 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.737 -8.058 6.084 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -2.493 -9.427 6.905 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.560 -9.088 9.834 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -1.829 -10.009 9.020 1.00 0.00 H new ATOM 335 N ARG A 24 -2.218 -2.485 6.630 1.00 0.00 N ATOM 336 CA ARG A 24 -1.577 -1.257 6.176 1.00 0.00 C ATOM 337 C ARG A 24 -0.170 -1.133 6.751 1.00 0.00 C ATOM 338 O ARG A 24 0.034 -1.269 7.957 1.00 0.00 O ATOM 339 CB ARG A 24 -2.413 -0.041 6.580 1.00 0.00 C ATOM 340 CG ARG A 24 -2.882 -0.077 8.025 1.00 0.00 C ATOM 341 CD ARG A 24 -3.682 1.166 8.383 1.00 0.00 C ATOM 342 NE ARG A 24 -3.694 1.414 9.822 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.537 0.825 10.662 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.432 -0.043 10.210 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.486 1.102 11.959 1.00 0.00 N ATOM 0 H ARG A 24 -2.269 -2.584 7.644 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.505 -1.295 5.089 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -1.825 0.863 6.420 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.283 0.025 5.926 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.494 -0.964 8.188 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.020 -0.159 8.687 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.259 2.030 7.870 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.706 1.053 8.026 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.018 2.076 10.203 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.474 -0.260 9.214 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.078 -0.494 10.858 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.799 1.768 12.312 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.134 0.649 12.603 1.00 0.00 H new ATOM 359 N GLY A 25 0.800 -0.876 5.878 1.00 0.00 N ATOM 360 CA GLY A 25 2.177 -0.739 6.318 1.00 0.00 C ATOM 361 C GLY A 25 3.009 0.098 5.367 1.00 0.00 C ATOM 362 O GLY A 25 2.662 0.246 4.195 1.00 0.00 O ATOM 0 H GLY A 25 0.657 -0.760 4.875 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.195 -0.284 7.308 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.625 -1.728 6.413 1.00 0.00 H new ATOM 366 N TRP A 26 4.108 0.646 5.872 1.00 0.00 N ATOM 367 CA TRP A 26 4.991 1.475 5.059 1.00 0.00 C ATOM 368 C TRP A 26 5.783 0.622 4.073 1.00 0.00 C ATOM 369 O TRP A 26 6.850 0.103 4.404 1.00 0.00 O ATOM 370 CB TRP A 26 5.948 2.265 5.952 1.00 0.00 C ATOM 371 CG TRP A 26 5.295 3.421 6.646 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.775 3.432 7.909 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.090 4.735 6.115 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.259 4.673 8.195 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.440 5.490 7.112 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.393 5.347 4.896 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.089 6.825 6.923 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.044 6.672 4.711 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.398 7.399 5.720 1.00 0.00 C ATOM 0 H TRP A 26 4.409 0.532 6.840 1.00 0.00 H new ATOM 0 HA TRP A 26 4.374 2.173 4.493 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.373 1.595 6.699 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.776 2.634 5.347 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.770 2.589 8.584 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.813 4.942 9.072 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.891 4.795 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.590 7.387 7.699 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.273 7.155 3.773 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.139 8.433 5.545 1.00 0.00 H new ATOM 390 N LEU A 27 5.254 0.480 2.863 1.00 0.00 N ATOM 391 CA LEU A 27 5.913 -0.310 1.828 1.00 0.00 C ATOM 392 C LEU A 27 6.915 0.537 1.050 1.00 0.00 C ATOM 393 O LEU A 27 6.860 1.767 1.082 1.00 0.00 O ATOM 394 CB LEU A 27 4.875 -0.900 0.872 1.00 0.00 C ATOM 395 CG LEU A 27 5.403 -1.899 -0.158 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.870 -3.175 0.526 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.336 -2.209 -1.197 1.00 0.00 C ATOM 0 H LEU A 27 4.371 0.901 2.574 1.00 0.00 H new ATOM 0 HA LEU A 27 6.454 -1.122 2.314 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.104 -1.392 1.464 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.393 -0.080 0.340 1.00 0.00 H new ATOM 0 HG LEU A 27 6.256 -1.450 -0.666 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.242 -3.874 -0.223 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.668 -2.939 1.231 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.035 -3.627 1.061 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.730 -2.922 -1.922 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.463 -2.637 -0.705 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.050 -1.291 -1.710 1.00 0.00 H new ATOM 409 N TYR A 28 7.827 -0.128 0.351 1.00 0.00 N ATOM 410 CA TYR A 28 8.841 0.564 -0.435 1.00 0.00 C ATOM 411 C TYR A 28 8.803 0.113 -1.892 1.00 0.00 C ATOM 412 O TYR A 28 8.694 -1.079 -2.184 1.00 0.00 O ATOM 413 CB TYR A 28 10.231 0.311 0.151 1.00 0.00 C ATOM 414 CG TYR A 28 10.290 0.459 1.655 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.055 -0.627 2.489 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.579 1.685 2.241 1.00 0.00 C ATOM 417 CE1 TYR A 28 10.107 -0.496 3.863 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.635 1.825 3.614 1.00 0.00 C ATOM 419 CZ TYR A 28 10.398 0.731 4.421 1.00 0.00 C ATOM 420 OH TYR A 28 10.451 0.867 5.790 1.00 0.00 O ATOM 0 H TYR A 28 7.885 -1.146 0.312 1.00 0.00 H new ATOM 0 HA TYR A 28 8.626 1.632 -0.398 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.553 -0.695 -0.120 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.939 1.005 -0.302 1.00 0.00 H new ATOM 0 HD1 TYR A 28 9.828 -1.590 2.056 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.763 2.544 1.612 1.00 0.00 H new ATOM 0 HE1 TYR A 28 9.921 -1.350 4.497 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.863 2.785 4.053 1.00 0.00 H new ATOM 0 HH TYR A 28 11.090 1.572 6.024 1.00 0.00 H new ATOM 430 N LYS A 29 8.893 1.074 -2.805 1.00 0.00 N ATOM 431 CA LYS A 29 8.870 0.779 -4.233 1.00 0.00 C ATOM 432 C LYS A 29 9.942 1.576 -4.970 1.00 0.00 C ATOM 433 O LYS A 29 10.272 2.696 -4.582 1.00 0.00 O ATOM 434 CB LYS A 29 7.492 1.095 -4.818 1.00 0.00 C ATOM 435 CG LYS A 29 7.360 2.520 -5.329 1.00 0.00 C ATOM 436 CD LYS A 29 6.046 2.730 -6.061 1.00 0.00 C ATOM 437 CE LYS A 29 4.947 3.188 -5.115 1.00 0.00 C ATOM 438 NZ LYS A 29 5.016 4.651 -4.850 1.00 0.00 N ATOM 0 H LYS A 29 8.983 2.065 -2.581 1.00 0.00 H new ATOM 0 HA LYS A 29 9.078 -0.283 -4.363 1.00 0.00 H new ATOM 0 HB2 LYS A 29 7.287 0.404 -5.636 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.734 0.920 -4.055 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.426 3.215 -4.492 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.190 2.746 -5.998 1.00 0.00 H new ATOM 0 HD2 LYS A 29 6.182 3.471 -6.849 1.00 0.00 H new ATOM 0 HD3 LYS A 29 5.746 1.801 -6.546 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.975 2.942 -5.542 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.029 2.644 -4.174 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 4.250 4.923 -4.201 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 5.934 4.883 -4.419 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 4.913 5.171 -5.745 1.00 0.00 H new ATOM 571 N TRP A 38 14.710 3.247 -4.203 1.00 0.00 N ATOM 572 CA TRP A 38 13.425 2.992 -3.562 1.00 0.00 C ATOM 573 C TRP A 38 12.941 4.224 -2.804 1.00 0.00 C ATOM 574 O TRP A 38 13.712 5.148 -2.544 1.00 0.00 O ATOM 575 CB TRP A 38 13.535 1.802 -2.608 1.00 0.00 C ATOM 576 CG TRP A 38 14.273 0.637 -3.194 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.623 0.526 -3.368 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.702 -0.581 -3.686 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.926 -0.687 -3.938 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.765 -1.385 -4.142 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.397 -1.071 -3.783 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.560 -2.650 -4.687 1.00 0.00 C ATOM 583 CZ3 TRP A 38 12.195 -2.326 -4.324 1.00 0.00 C ATOM 584 CH2 TRP A 38 13.272 -3.104 -4.770 1.00 0.00 C ATOM 0 HA TRP A 38 12.699 2.759 -4.340 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.040 2.122 -1.697 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.533 1.481 -2.321 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.346 1.281 -3.097 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.863 -1.015 -4.171 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.561 -0.479 -3.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 15.388 -3.251 -5.032 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 11.190 -2.714 -4.405 1.00 0.00 H new ATOM 0 HH2 TRP A 38 13.081 -4.082 -5.188 1.00 0.00 H new ATOM 595 N LYS A 39 11.660 4.231 -2.451 1.00 0.00 N ATOM 596 CA LYS A 39 11.073 5.348 -1.721 1.00 0.00 C ATOM 597 C LYS A 39 10.008 4.860 -0.744 1.00 0.00 C ATOM 598 O LYS A 39 9.213 3.977 -1.067 1.00 0.00 O ATOM 599 CB LYS A 39 10.463 6.357 -2.696 1.00 0.00 C ATOM 600 CG LYS A 39 11.485 7.024 -3.601 1.00 0.00 C ATOM 601 CD LYS A 39 12.243 8.120 -2.871 1.00 0.00 C ATOM 602 CE LYS A 39 13.424 8.620 -3.690 1.00 0.00 C ATOM 603 NZ LYS A 39 12.984 9.340 -4.916 1.00 0.00 N ATOM 0 H LYS A 39 11.008 3.475 -2.659 1.00 0.00 H new ATOM 0 HA LYS A 39 11.866 5.835 -1.153 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.720 5.850 -3.312 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.937 7.125 -2.129 1.00 0.00 H new ATOM 0 HG2 LYS A 39 12.188 6.277 -3.970 1.00 0.00 H new ATOM 0 HG3 LYS A 39 10.982 7.446 -4.471 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.569 8.950 -2.657 1.00 0.00 H new ATOM 0 HD3 LYS A 39 12.598 7.742 -1.912 1.00 0.00 H new ATOM 0 HE2 LYS A 39 14.035 9.284 -3.078 1.00 0.00 H new ATOM 0 HE3 LYS A 39 14.054 7.776 -3.971 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 13.818 9.665 -5.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 12.423 8.699 -5.512 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 12.404 10.160 -4.647 1.00 0.00 H new ATOM 617 N LYS A 40 9.996 5.442 0.450 1.00 0.00 N ATOM 618 CA LYS A 40 9.027 5.070 1.474 1.00 0.00 C ATOM 619 C LYS A 40 7.675 5.725 1.207 1.00 0.00 C ATOM 620 O LYS A 40 7.601 6.917 0.909 1.00 0.00 O ATOM 621 CB LYS A 40 9.537 5.473 2.859 1.00 0.00 C ATOM 622 CG LYS A 40 8.938 4.654 3.989 1.00 0.00 C ATOM 623 CD LYS A 40 9.625 4.945 5.313 1.00 0.00 C ATOM 624 CE LYS A 40 9.204 3.956 6.389 1.00 0.00 C ATOM 625 NZ LYS A 40 10.149 3.952 7.540 1.00 0.00 N ATOM 0 H LYS A 40 10.647 6.174 0.733 1.00 0.00 H new ATOM 0 HA LYS A 40 8.899 3.988 1.442 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.622 5.370 2.882 1.00 0.00 H new ATOM 0 HB3 LYS A 40 9.314 6.527 3.027 1.00 0.00 H new ATOM 0 HG2 LYS A 40 7.874 4.873 4.074 1.00 0.00 H new ATOM 0 HG3 LYS A 40 9.027 3.593 3.757 1.00 0.00 H new ATOM 0 HD2 LYS A 40 10.706 4.902 5.180 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.384 5.958 5.634 1.00 0.00 H new ATOM 0 HE2 LYS A 40 8.204 4.207 6.742 1.00 0.00 H new ATOM 0 HE3 LYS A 40 9.149 2.955 5.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.827 3.265 8.251 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 11.099 3.688 7.209 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.182 4.901 7.965 1.00 0.00 H new ATOM 639 N ARG A 41 6.610 4.939 1.318 1.00 0.00 N ATOM 640 CA ARG A 41 5.261 5.443 1.089 1.00 0.00 C ATOM 641 C ARG A 41 4.237 4.637 1.884 1.00 0.00 C ATOM 642 O ARG A 41 4.313 3.410 1.948 1.00 0.00 O ATOM 643 CB ARG A 41 4.921 5.392 -0.401 1.00 0.00 C ATOM 644 CG ARG A 41 3.911 6.444 -0.832 1.00 0.00 C ATOM 645 CD ARG A 41 4.545 7.823 -0.916 1.00 0.00 C ATOM 646 NE ARG A 41 5.559 7.896 -1.965 1.00 0.00 N ATOM 647 CZ ARG A 41 5.272 8.019 -3.257 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.010 8.082 -3.656 1.00 0.00 N ATOM 649 NH2 ARG A 41 6.250 8.079 -4.151 1.00 0.00 N ATOM 0 H ARG A 41 6.655 3.950 1.565 1.00 0.00 H new ATOM 0 HA ARG A 41 5.224 6.478 1.428 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.836 5.521 -0.978 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.529 4.404 -0.642 1.00 0.00 H new ATOM 0 HG2 ARG A 41 3.495 6.174 -1.802 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.082 6.466 -0.124 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.771 8.567 -1.107 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.997 8.073 0.044 1.00 0.00 H new ATOM 0 HE ARG A 41 6.540 7.850 -1.691 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.256 8.036 -2.971 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.793 8.176 -4.648 1.00 0.00 H new ATOM 0 HH21 ARG A 41 7.222 8.031 -3.847 1.00 0.00 H new ATOM 0 HH22 ARG A 41 6.030 8.173 -5.142 1.00 0.00 H new ATOM 663 N TRP A 42 3.282 5.336 2.487 1.00 0.00 N ATOM 664 CA TRP A 42 2.243 4.685 3.277 1.00 0.00 C ATOM 665 C TRP A 42 1.245 3.965 2.377 1.00 0.00 C ATOM 666 O TRP A 42 0.423 4.598 1.715 1.00 0.00 O ATOM 667 CB TRP A 42 1.516 5.712 4.147 1.00 0.00 C ATOM 668 CG TRP A 42 0.549 5.096 5.111 1.00 0.00 C ATOM 669 CD1 TRP A 42 -0.771 5.410 5.262 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.828 4.061 6.061 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.330 4.633 6.247 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.371 3.797 6.753 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.972 3.331 6.393 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.454 2.835 7.756 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.888 2.377 7.389 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.682 2.135 8.060 1.00 0.00 C ATOM 0 H TRP A 42 3.206 6.352 2.444 1.00 0.00 H new ATOM 0 HA TRP A 42 2.721 3.947 3.921 1.00 0.00 H new ATOM 0 HB2 TRP A 42 2.252 6.292 4.703 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.981 6.409 3.503 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.298 6.160 4.691 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.302 4.672 6.552 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.906 3.509 5.880 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.382 2.648 8.276 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.767 1.808 7.655 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.648 1.381 8.833 1.00 0.00 H new ATOM 687 N PHE A 43 1.321 2.638 2.359 1.00 0.00 N ATOM 688 CA PHE A 43 0.424 1.833 1.539 1.00 0.00 C ATOM 689 C PHE A 43 -0.719 1.268 2.378 1.00 0.00 C ATOM 690 O PHE A 43 -0.691 1.329 3.607 1.00 0.00 O ATOM 691 CB PHE A 43 1.194 0.692 0.872 1.00 0.00 C ATOM 692 CG PHE A 43 1.753 1.052 -0.475 1.00 0.00 C ATOM 693 CD1 PHE A 43 2.943 1.754 -0.581 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.087 0.690 -1.635 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.459 2.087 -1.819 1.00 0.00 C ATOM 696 CE2 PHE A 43 1.599 1.020 -2.876 1.00 0.00 C ATOM 697 CZ PHE A 43 2.786 1.720 -2.968 1.00 0.00 C ATOM 0 H PHE A 43 1.994 2.098 2.903 1.00 0.00 H new ATOM 0 HA PHE A 43 0.002 2.477 0.767 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.011 0.385 1.525 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.532 -0.167 0.764 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.473 2.044 0.314 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.158 0.144 -1.569 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.388 2.634 -1.888 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.071 0.731 -3.773 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.187 1.980 -3.936 1.00 0.00 H new ATOM 707 N VAL A 44 -1.724 0.717 1.704 1.00 0.00 N ATOM 708 CA VAL A 44 -2.877 0.141 2.385 1.00 0.00 C ATOM 709 C VAL A 44 -3.587 -0.876 1.499 1.00 0.00 C ATOM 710 O VAL A 44 -4.062 -0.544 0.412 1.00 0.00 O ATOM 711 CB VAL A 44 -3.882 1.229 2.807 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.234 0.611 3.129 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.348 2.014 3.996 1.00 0.00 C ATOM 0 H VAL A 44 -1.763 0.658 0.686 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.500 -0.359 3.277 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.015 1.920 1.974 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.931 1.395 3.425 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.618 0.097 2.248 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.123 -0.103 3.945 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.070 2.779 4.281 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.185 1.338 4.835 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.405 2.489 3.725 1.00 0.00 H new ATOM 723 N LEU A 45 -3.657 -2.116 1.970 1.00 0.00 N ATOM 724 CA LEU A 45 -4.311 -3.183 1.220 1.00 0.00 C ATOM 725 C LEU A 45 -5.795 -3.259 1.563 1.00 0.00 C ATOM 726 O LEU A 45 -6.179 -3.845 2.576 1.00 0.00 O ATOM 727 CB LEU A 45 -3.639 -4.526 1.514 1.00 0.00 C ATOM 728 CG LEU A 45 -3.670 -5.554 0.382 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.058 -6.160 0.250 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.237 -4.916 -0.930 1.00 0.00 C ATOM 0 H LEU A 45 -3.269 -2.408 2.867 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.213 -2.959 0.158 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.599 -4.339 1.779 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.117 -4.965 2.390 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.969 -6.353 0.623 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -5.061 -6.889 -0.560 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.330 -6.653 1.183 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.780 -5.373 0.032 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.265 -5.662 -1.724 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.913 -4.097 -1.177 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.222 -4.531 -0.830 1.00 0.00 H new ATOM 742 N SER A 46 -6.626 -2.665 0.713 1.00 0.00 N ATOM 743 CA SER A 46 -8.068 -2.664 0.926 1.00 0.00 C ATOM 744 C SER A 46 -8.814 -2.786 -0.399 1.00 0.00 C ATOM 745 O SER A 46 -8.293 -2.420 -1.453 1.00 0.00 O ATOM 746 CB SER A 46 -8.497 -1.386 1.650 1.00 0.00 C ATOM 747 OG SER A 46 -9.889 -1.392 1.914 1.00 0.00 O ATOM 0 H SER A 46 -6.325 -2.178 -0.131 1.00 0.00 H new ATOM 0 HA SER A 46 -8.319 -3.526 1.544 1.00 0.00 H new ATOM 0 HB2 SER A 46 -7.947 -1.293 2.586 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.243 -0.517 1.043 1.00 0.00 H new ATOM 0 HG SER A 46 -10.137 -0.566 2.379 1.00 0.00 H new ATOM 753 N ASP A 47 -10.036 -3.302 -0.337 1.00 0.00 N ATOM 754 CA ASP A 47 -10.856 -3.471 -1.531 1.00 0.00 C ATOM 755 C ASP A 47 -10.098 -4.245 -2.605 1.00 0.00 C ATOM 756 O ASP A 47 -10.327 -4.056 -3.801 1.00 0.00 O ATOM 757 CB ASP A 47 -11.289 -2.109 -2.076 1.00 0.00 C ATOM 758 CG ASP A 47 -12.525 -2.202 -2.950 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.230 -3.229 -2.872 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.786 -1.247 -3.712 1.00 0.00 O ATOM 0 H ASP A 47 -10.481 -3.611 0.527 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.743 -4.041 -1.255 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.486 -1.434 -1.243 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.472 -1.675 -2.652 1.00 0.00 H new ATOM 765 N LEU A 48 -9.193 -5.116 -2.172 1.00 0.00 N ATOM 766 CA LEU A 48 -8.400 -5.919 -3.096 1.00 0.00 C ATOM 767 C LEU A 48 -7.651 -5.030 -4.085 1.00 0.00 C ATOM 768 O LEU A 48 -7.495 -5.381 -5.255 1.00 0.00 O ATOM 769 CB LEU A 48 -9.298 -6.899 -3.853 1.00 0.00 C ATOM 770 CG LEU A 48 -9.916 -8.022 -3.020 1.00 0.00 C ATOM 771 CD1 LEU A 48 -8.830 -8.875 -2.384 1.00 0.00 C ATOM 772 CD2 LEU A 48 -10.840 -7.450 -1.955 1.00 0.00 C ATOM 0 H LEU A 48 -8.990 -5.284 -1.187 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.669 -6.481 -2.514 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.105 -6.335 -4.321 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.715 -7.348 -4.657 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.506 -8.656 -3.682 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -9.289 -9.669 -1.795 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -8.209 -9.315 -3.164 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -8.212 -8.254 -1.736 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -11.271 -8.264 -1.372 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.273 -6.792 -1.296 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -11.639 -6.883 -2.433 1.00 0.00 H new ATOM 784 N CYS A 49 -7.190 -3.880 -3.606 1.00 0.00 N ATOM 785 CA CYS A 49 -6.456 -2.941 -4.448 1.00 0.00 C ATOM 786 C CYS A 49 -5.297 -2.314 -3.680 1.00 0.00 C ATOM 787 O CYS A 49 -5.058 -2.643 -2.517 1.00 0.00 O ATOM 788 CB CYS A 49 -7.392 -1.849 -4.965 1.00 0.00 C ATOM 789 SG CYS A 49 -8.776 -2.468 -5.951 1.00 0.00 S ATOM 0 H CYS A 49 -7.311 -3.575 -2.640 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.050 -3.492 -5.296 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -7.786 -1.291 -4.116 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -6.816 -1.147 -5.568 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.549 -3.199 -5.204 1.00 0.00 H new ATOM 795 N LEU A 50 -4.580 -1.409 -4.337 1.00 0.00 N ATOM 796 CA LEU A 50 -3.444 -0.735 -3.717 1.00 0.00 C ATOM 797 C LEU A 50 -3.692 0.766 -3.614 1.00 0.00 C ATOM 798 O LEU A 50 -4.081 1.410 -4.588 1.00 0.00 O ATOM 799 CB LEU A 50 -2.169 -1.000 -4.519 1.00 0.00 C ATOM 800 CG LEU A 50 -1.354 -2.224 -4.100 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.028 -2.262 -4.842 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.126 -2.223 -2.595 1.00 0.00 C ATOM 0 H LEU A 50 -4.765 -1.125 -5.299 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.321 -1.134 -2.710 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.441 -1.111 -5.569 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.529 -0.121 -4.447 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.918 -3.119 -4.361 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.538 -3.140 -4.531 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.213 -2.311 -5.915 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.543 -1.362 -4.613 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.544 -3.101 -2.315 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.583 -1.322 -2.310 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.087 -2.245 -2.081 1.00 0.00 H new ATOM 814 N PHE A 51 -3.461 1.319 -2.427 1.00 0.00 N ATOM 815 CA PHE A 51 -3.657 2.745 -2.197 1.00 0.00 C ATOM 816 C PHE A 51 -2.519 3.323 -1.361 1.00 0.00 C ATOM 817 O PHE A 51 -2.052 2.695 -0.410 1.00 0.00 O ATOM 818 CB PHE A 51 -4.995 2.991 -1.497 1.00 0.00 C ATOM 819 CG PHE A 51 -6.184 2.560 -2.307 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.608 3.309 -3.393 1.00 0.00 C ATOM 821 CD2 PHE A 51 -6.879 1.405 -1.983 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.701 2.915 -4.141 1.00 0.00 C ATOM 823 CE2 PHE A 51 -7.972 1.006 -2.727 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.385 1.762 -3.807 1.00 0.00 C ATOM 0 H PHE A 51 -3.138 0.801 -1.610 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.664 3.246 -3.165 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.001 2.459 -0.546 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.087 4.053 -1.269 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.078 4.212 -3.658 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.562 0.810 -1.139 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.020 3.508 -4.986 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.504 0.103 -2.465 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.241 1.452 -4.389 1.00 0.00 H new ATOM 834 N TYR A 52 -2.078 4.522 -1.723 1.00 0.00 N ATOM 835 CA TYR A 52 -0.992 5.185 -1.009 1.00 0.00 C ATOM 836 C TYR A 52 -1.307 6.661 -0.786 1.00 0.00 C ATOM 837 O TYR A 52 -2.161 7.234 -1.464 1.00 0.00 O ATOM 838 CB TYR A 52 0.318 5.043 -1.785 1.00 0.00 C ATOM 839 CG TYR A 52 0.168 5.265 -3.273 1.00 0.00 C ATOM 840 CD1 TYR A 52 0.301 6.534 -3.822 1.00 0.00 C ATOM 841 CD2 TYR A 52 -0.108 4.207 -4.129 1.00 0.00 C ATOM 842 CE1 TYR A 52 0.164 6.743 -5.181 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.246 4.405 -5.489 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.109 5.675 -6.010 1.00 0.00 C ATOM 845 OH TYR A 52 -0.246 5.877 -7.364 1.00 0.00 O ATOM 0 H TYR A 52 -2.455 5.055 -2.506 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.884 4.705 -0.037 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.043 5.756 -1.391 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.725 4.047 -1.614 1.00 0.00 H new ATOM 0 HD1 TYR A 52 0.515 7.372 -3.175 1.00 0.00 H new ATOM 0 HD2 TYR A 52 -0.217 3.212 -3.724 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.270 7.736 -5.591 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.460 3.571 -6.141 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.436 5.022 -7.805 1.00 0.00 H new ATOM 855 N TYR A 53 -0.612 7.270 0.167 1.00 0.00 N ATOM 856 CA TYR A 53 -0.817 8.679 0.482 1.00 0.00 C ATOM 857 C TYR A 53 0.490 9.337 0.911 1.00 0.00 C ATOM 858 O TYR A 53 1.380 8.681 1.453 1.00 0.00 O ATOM 859 CB TYR A 53 -1.864 8.829 1.587 1.00 0.00 C ATOM 860 CG TYR A 53 -2.893 7.721 1.601 1.00 0.00 C ATOM 861 CD1 TYR A 53 -2.524 6.407 1.859 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.235 7.990 1.358 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.461 5.391 1.872 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.178 6.981 1.371 1.00 0.00 C ATOM 865 CZ TYR A 53 -4.787 5.684 1.627 1.00 0.00 C ATOM 866 OH TYR A 53 -5.723 4.675 1.641 1.00 0.00 O ATOM 0 H TYR A 53 0.099 6.810 0.736 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.175 9.178 -0.418 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.359 8.857 2.553 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.373 9.785 1.466 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.487 6.175 2.053 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.545 9.005 1.156 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.157 4.374 2.073 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.217 7.207 1.181 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.609 5.048 1.451 1.00 0.00 H new ATOM 876 N ARG A 54 0.598 10.639 0.666 1.00 0.00 N ATOM 877 CA ARG A 54 1.796 11.388 1.025 1.00 0.00 C ATOM 878 C ARG A 54 2.407 10.849 2.315 1.00 0.00 C ATOM 879 O ARG A 54 3.608 10.588 2.383 1.00 0.00 O ATOM 880 CB ARG A 54 1.466 12.873 1.187 1.00 0.00 C ATOM 881 CG ARG A 54 1.455 13.640 -0.125 1.00 0.00 C ATOM 882 CD ARG A 54 1.820 15.102 0.082 1.00 0.00 C ATOM 883 NE ARG A 54 2.136 15.771 -1.178 1.00 0.00 N ATOM 884 CZ ARG A 54 3.261 15.569 -1.855 1.00 0.00 C ATOM 885 NH1 ARG A 54 4.172 14.723 -1.397 1.00 0.00 N ATOM 886 NH2 ARG A 54 3.475 16.215 -2.994 1.00 0.00 N ATOM 0 H ARG A 54 -0.130 11.197 0.220 1.00 0.00 H new ATOM 0 HA ARG A 54 2.522 11.270 0.221 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.490 12.970 1.663 1.00 0.00 H new ATOM 0 HB3 ARG A 54 2.195 13.328 1.858 1.00 0.00 H new ATOM 0 HG2 ARG A 54 2.159 13.183 -0.821 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.467 13.571 -0.580 1.00 0.00 H new ATOM 0 HD2 ARG A 54 0.992 15.617 0.568 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.676 15.170 0.753 1.00 0.00 H new ATOM 0 HE ARG A 54 1.456 16.429 -1.558 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.011 14.224 -0.522 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.035 14.570 -1.919 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.776 16.867 -3.350 1.00 0.00 H new ATOM 0 HH22 ARG A 54 4.339 16.060 -3.514 1.00 0.00 H new ATOM 900 N ASP A 55 1.572 10.685 3.336 1.00 0.00 N ATOM 901 CA ASP A 55 2.030 10.176 4.624 1.00 0.00 C ATOM 902 C ASP A 55 0.900 9.461 5.358 1.00 0.00 C ATOM 903 O ASP A 55 -0.237 9.432 4.888 1.00 0.00 O ATOM 904 CB ASP A 55 2.571 11.319 5.484 1.00 0.00 C ATOM 905 CG ASP A 55 1.832 12.622 5.248 1.00 0.00 C ATOM 906 OD1 ASP A 55 0.656 12.569 4.833 1.00 0.00 O ATOM 907 OD2 ASP A 55 2.430 13.694 5.478 1.00 0.00 O ATOM 0 H ASP A 55 0.575 10.897 3.297 1.00 0.00 H new ATOM 0 HA ASP A 55 2.831 9.459 4.441 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.493 11.046 6.536 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.630 11.461 5.269 1.00 0.00 H new ATOM 912 N GLU A 56 1.222 8.885 6.512 1.00 0.00 N ATOM 913 CA GLU A 56 0.234 8.169 7.310 1.00 0.00 C ATOM 914 C GLU A 56 -1.016 9.018 7.519 1.00 0.00 C ATOM 915 O GLU A 56 -2.086 8.501 7.842 1.00 0.00 O ATOM 916 CB GLU A 56 0.828 7.773 8.663 1.00 0.00 C ATOM 917 CG GLU A 56 1.083 8.954 9.584 1.00 0.00 C ATOM 918 CD GLU A 56 2.279 9.781 9.154 1.00 0.00 C ATOM 919 OE1 GLU A 56 3.414 9.265 9.225 1.00 0.00 O ATOM 920 OE2 GLU A 56 2.079 10.945 8.747 1.00 0.00 O ATOM 0 H GLU A 56 2.159 8.900 6.915 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.048 7.267 6.768 1.00 0.00 H new ATOM 0 HB2 GLU A 56 0.151 7.077 9.158 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.766 7.243 8.498 1.00 0.00 H new ATOM 0 HG2 GLU A 56 0.197 9.589 9.609 1.00 0.00 H new ATOM 0 HG3 GLU A 56 1.243 8.591 10.599 1.00 0.00 H new ATOM 927 N LYS A 57 -0.873 10.326 7.333 1.00 0.00 N ATOM 928 CA LYS A 57 -1.989 11.250 7.500 1.00 0.00 C ATOM 929 C LYS A 57 -3.205 10.783 6.706 1.00 0.00 C ATOM 930 O LYS A 57 -4.340 11.131 7.031 1.00 0.00 O ATOM 931 CB LYS A 57 -1.584 12.657 7.055 1.00 0.00 C ATOM 932 CG LYS A 57 -0.385 13.211 7.804 1.00 0.00 C ATOM 933 CD LYS A 57 -0.809 13.969 9.051 1.00 0.00 C ATOM 934 CE LYS A 57 0.380 14.271 9.950 1.00 0.00 C ATOM 935 NZ LYS A 57 1.148 15.456 9.475 1.00 0.00 N ATOM 0 H LYS A 57 0.006 10.770 7.066 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.255 11.273 8.557 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.360 12.641 5.988 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.430 13.330 7.193 1.00 0.00 H new ATOM 0 HG2 LYS A 57 0.281 12.394 8.082 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.180 13.874 7.149 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.296 14.901 8.764 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -1.544 13.383 9.602 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.030 14.449 10.967 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.038 13.403 9.986 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 1.950 15.629 10.114 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 1.503 15.277 8.514 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.527 16.290 9.465 1.00 0.00 H new ATOM 949 N GLU A 58 -2.959 9.994 5.665 1.00 0.00 N ATOM 950 CA GLU A 58 -4.035 9.480 4.826 1.00 0.00 C ATOM 951 C GLU A 58 -4.796 10.621 4.158 1.00 0.00 C ATOM 952 O GLU A 58 -6.025 10.664 4.191 1.00 0.00 O ATOM 953 CB GLU A 58 -4.997 8.628 5.656 1.00 0.00 C ATOM 954 CG GLU A 58 -4.572 7.175 5.780 1.00 0.00 C ATOM 955 CD GLU A 58 -5.629 6.312 6.441 1.00 0.00 C ATOM 956 OE1 GLU A 58 -6.709 6.132 5.839 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.378 5.816 7.559 1.00 0.00 O ATOM 0 H GLU A 58 -2.025 9.697 5.383 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.590 8.859 4.049 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.082 9.059 6.654 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -5.988 8.670 5.205 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.353 6.779 4.789 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.649 7.118 6.357 1.00 0.00 H new ATOM 964 N GLU A 59 -4.055 11.544 3.552 1.00 0.00 N ATOM 965 CA GLU A 59 -4.660 12.686 2.877 1.00 0.00 C ATOM 966 C GLU A 59 -5.130 12.305 1.476 1.00 0.00 C ATOM 967 O GLU A 59 -5.027 11.149 1.068 1.00 0.00 O ATOM 968 CB GLU A 59 -3.664 13.845 2.795 1.00 0.00 C ATOM 969 CG GLU A 59 -3.502 14.602 4.102 1.00 0.00 C ATOM 970 CD GLU A 59 -4.536 15.699 4.272 1.00 0.00 C ATOM 971 OE1 GLU A 59 -5.740 15.375 4.331 1.00 0.00 O ATOM 972 OE2 GLU A 59 -4.140 16.881 4.346 1.00 0.00 O ATOM 0 H GLU A 59 -3.036 11.523 3.515 1.00 0.00 H new ATOM 0 HA GLU A 59 -5.526 13.001 3.459 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -2.693 13.457 2.487 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -3.990 14.539 2.021 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -3.579 13.903 4.935 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -2.504 15.039 4.144 1.00 0.00 H new ATOM 979 N GLY A 60 -5.647 13.287 0.744 1.00 0.00 N ATOM 980 CA GLY A 60 -6.126 13.035 -0.603 1.00 0.00 C ATOM 981 C GLY A 60 -5.233 12.076 -1.366 1.00 0.00 C ATOM 982 O GLY A 60 -4.166 12.460 -1.845 1.00 0.00 O ATOM 0 H GLY A 60 -5.743 14.252 1.059 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.136 12.627 -0.556 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.188 13.978 -1.146 1.00 0.00 H new ATOM 986 N ILE A 61 -5.669 10.826 -1.478 1.00 0.00 N ATOM 987 CA ILE A 61 -4.901 9.810 -2.187 1.00 0.00 C ATOM 988 C ILE A 61 -4.214 10.398 -3.415 1.00 0.00 C ATOM 989 O ILE A 61 -4.820 11.153 -4.177 1.00 0.00 O ATOM 990 CB ILE A 61 -5.793 8.634 -2.626 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.233 7.818 -1.409 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.056 7.753 -3.624 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.303 6.795 -1.723 1.00 0.00 C ATOM 0 H ILE A 61 -6.550 10.492 -1.087 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.146 9.443 -1.492 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.683 9.034 -3.113 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.365 7.308 -0.991 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -6.605 8.497 -0.641 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.700 6.926 -3.925 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.789 8.342 -4.501 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.151 7.359 -3.162 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.566 6.254 -0.814 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.186 7.300 -2.113 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -6.928 6.093 -2.468 1.00 0.00 H new ATOM 1005 N LEU A 62 -2.947 10.047 -3.602 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.176 10.538 -4.739 1.00 0.00 C ATOM 1007 C LEU A 62 -2.424 9.681 -5.976 1.00 0.00 C ATOM 1008 O LEU A 62 -2.287 10.148 -7.106 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.684 10.549 -4.403 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.329 10.777 -2.933 1.00 0.00 C ATOM 1011 CD1 LEU A 62 1.157 11.063 -2.781 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.155 11.918 -2.356 1.00 0.00 C ATOM 0 H LEU A 62 -2.431 9.424 -2.981 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.501 11.556 -4.954 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.254 9.598 -4.717 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.204 11.327 -4.997 1.00 0.00 H new ATOM 0 HG LEU A 62 -0.562 9.869 -2.378 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.391 11.223 -1.728 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.731 10.215 -3.156 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.416 11.956 -3.350 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -0.889 12.066 -1.309 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -0.953 12.832 -2.915 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.215 11.674 -2.430 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.792 8.422 -5.754 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.055 7.520 -6.860 1.00 0.00 C ATOM 1026 C GLY A 63 -3.309 6.098 -6.400 1.00 0.00 C ATOM 1027 O GLY A 63 -2.712 5.637 -5.427 1.00 0.00 O ATOM 0 H GLY A 63 -2.912 8.011 -4.828 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.920 7.878 -7.419 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.206 7.531 -7.544 1.00 0.00 H new ATOM 1031 N SER A 64 -4.198 5.401 -7.100 1.00 0.00 N ATOM 1032 CA SER A 64 -4.534 4.025 -6.755 1.00 0.00 C ATOM 1033 C SER A 64 -3.941 3.050 -7.768 1.00 0.00 C ATOM 1034 O SER A 64 -3.784 3.380 -8.944 1.00 0.00 O ATOM 1035 CB SER A 64 -6.052 3.849 -6.689 1.00 0.00 C ATOM 1036 OG SER A 64 -6.662 4.224 -7.912 1.00 0.00 O ATOM 0 H SER A 64 -4.699 5.767 -7.910 1.00 0.00 H new ATOM 0 HA SER A 64 -4.108 3.808 -5.776 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.291 2.810 -6.463 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.456 4.453 -5.877 1.00 0.00 H new ATOM 0 HG SER A 64 -7.632 4.101 -7.845 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.613 1.850 -7.303 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.039 0.827 -8.168 1.00 0.00 C ATOM 1044 C ILE A 65 -3.886 -0.441 -8.158 1.00 0.00 C ATOM 1045 O ILE A 65 -4.165 -1.006 -7.099 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.601 0.473 -7.744 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.634 1.579 -8.172 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.186 -0.862 -8.342 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.703 1.518 -7.467 1.00 0.00 C ATOM 0 H ILE A 65 -3.735 1.562 -6.332 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.021 1.241 -9.176 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.568 0.388 -6.658 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.472 1.513 -9.248 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.094 2.548 -7.978 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.168 -1.098 -8.033 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.861 -1.643 -7.993 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.231 -0.803 -9.429 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.338 2.331 -7.819 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.552 1.615 -6.392 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.184 0.564 -7.681 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.291 -0.885 -9.342 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.106 -2.089 -9.471 1.00 0.00 C ATOM 1063 C LEU A 66 -4.236 -3.341 -9.435 1.00 0.00 C ATOM 1064 O LEU A 66 -3.451 -3.591 -10.351 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.908 -2.048 -10.773 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.281 -1.379 -10.694 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.165 -2.092 -9.683 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.137 0.093 -10.336 1.00 0.00 C ATOM 0 H LEU A 66 -4.069 -0.430 -10.227 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.796 -2.124 -8.628 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.315 -1.528 -11.525 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -6.044 -3.071 -11.125 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.755 -1.449 -11.673 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.138 -1.602 -9.641 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.295 -3.132 -9.983 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.697 -2.054 -8.700 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.124 0.553 -10.284 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.642 0.186 -9.369 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.542 0.596 -11.098 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.382 -4.126 -8.373 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.611 -5.355 -8.219 1.00 0.00 C ATOM 1082 C LEU A 67 -4.093 -6.426 -9.192 1.00 0.00 C ATOM 1083 O LEU A 67 -3.302 -7.127 -9.823 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.717 -5.869 -6.782 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.684 -5.324 -5.796 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.953 -5.852 -4.395 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.276 -5.686 -6.243 1.00 0.00 C ATOM 0 H LEU A 67 -5.027 -3.934 -7.606 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.568 -5.131 -8.443 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.711 -5.630 -6.404 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.635 -6.956 -6.799 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.768 -4.237 -5.775 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.208 -5.453 -3.707 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.947 -5.541 -4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.897 -6.941 -4.400 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.554 -5.290 -5.529 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.178 -6.770 -6.294 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -1.085 -5.258 -7.227 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.422 -6.556 -9.319 1.00 0.00 N ATOM 1100 CA PRO A 68 -6.040 -7.537 -10.215 1.00 0.00 C ATOM 1101 C PRO A 68 -5.422 -7.518 -11.609 1.00 0.00 C ATOM 1102 O PRO A 68 -5.484 -8.507 -12.340 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.504 -7.094 -10.272 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.731 -6.371 -8.989 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.424 -5.753 -8.597 1.00 0.00 C ATOM 0 HA PRO A 68 -5.904 -8.558 -9.858 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.689 -6.447 -11.129 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -8.173 -7.949 -10.368 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.499 -5.606 -9.108 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -8.080 -7.056 -8.217 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.377 -4.703 -8.884 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.269 -5.796 -7.519 1.00 0.00 H new ATOM 1113 N SER A 69 -4.827 -6.386 -11.972 1.00 0.00 N ATOM 1114 CA SER A 69 -4.201 -6.238 -13.281 1.00 0.00 C ATOM 1115 C SER A 69 -2.711 -6.556 -13.210 1.00 0.00 C ATOM 1116 O SER A 69 -2.107 -6.981 -14.195 1.00 0.00 O ATOM 1117 CB SER A 69 -4.406 -4.816 -13.809 1.00 0.00 C ATOM 1118 OG SER A 69 -5.762 -4.590 -14.153 1.00 0.00 O ATOM 0 H SER A 69 -4.765 -5.559 -11.379 1.00 0.00 H new ATOM 0 HA SER A 69 -4.673 -6.944 -13.964 1.00 0.00 H new ATOM 0 HB2 SER A 69 -4.095 -4.096 -13.053 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.774 -4.654 -14.682 1.00 0.00 H new ATOM 0 HG SER A 69 -5.867 -3.674 -14.486 1.00 0.00 H new ATOM 1124 N PHE A 70 -2.123 -6.347 -12.036 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.703 -6.611 -11.835 1.00 0.00 C ATOM 1126 C PHE A 70 -0.452 -8.099 -11.612 1.00 0.00 C ATOM 1127 O PHE A 70 -1.349 -8.835 -11.200 1.00 0.00 O ATOM 1128 CB PHE A 70 -0.178 -5.809 -10.642 1.00 0.00 C ATOM 1129 CG PHE A 70 0.346 -4.452 -11.016 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.516 -4.324 -11.747 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.331 -3.305 -10.636 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.001 -3.077 -12.091 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.149 -2.054 -10.977 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.316 -1.941 -11.707 1.00 0.00 C ATOM 0 H PHE A 70 -2.608 -5.996 -11.210 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.171 -6.302 -12.735 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.979 -5.692 -9.912 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.616 -6.375 -10.155 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.055 -5.209 -12.051 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.245 -3.389 -10.066 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.915 -2.991 -12.660 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.387 -1.167 -10.673 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.692 -0.965 -11.977 1.00 0.00 H new ATOM 1144 N GLN A 71 0.773 -8.535 -11.888 1.00 0.00 N ATOM 1145 CA GLN A 71 1.141 -9.936 -11.719 1.00 0.00 C ATOM 1146 C GLN A 71 2.285 -10.081 -10.721 1.00 0.00 C ATOM 1147 O GLN A 71 3.437 -9.783 -11.035 1.00 0.00 O ATOM 1148 CB GLN A 71 1.541 -10.546 -13.064 1.00 0.00 C ATOM 1149 CG GLN A 71 2.545 -11.681 -12.942 1.00 0.00 C ATOM 1150 CD GLN A 71 2.624 -12.527 -14.197 1.00 0.00 C ATOM 1151 OE1 GLN A 71 1.620 -13.071 -14.658 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.822 -12.643 -14.759 1.00 0.00 N ATOM 0 H GLN A 71 1.527 -7.939 -12.229 1.00 0.00 H new ATOM 0 HA GLN A 71 0.274 -10.469 -11.330 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.647 -10.915 -13.566 1.00 0.00 H new ATOM 0 HB3 GLN A 71 1.963 -9.765 -13.697 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.530 -11.268 -12.724 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.271 -12.314 -12.098 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.628 -12.175 -14.344 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.936 -13.200 -15.606 1.00 0.00 H new ATOM 1161 N ILE A 72 1.958 -10.540 -9.517 1.00 0.00 N ATOM 1162 CA ILE A 72 2.959 -10.725 -8.474 1.00 0.00 C ATOM 1163 C ILE A 72 3.727 -12.027 -8.673 1.00 0.00 C ATOM 1164 O ILE A 72 3.144 -13.111 -8.664 1.00 0.00 O ATOM 1165 CB ILE A 72 2.318 -10.730 -7.073 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.183 -9.705 -7.005 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.366 -10.440 -6.010 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.613 -8.302 -7.371 1.00 0.00 C ATOM 0 H ILE A 72 1.009 -10.790 -9.240 1.00 0.00 H new ATOM 0 HA ILE A 72 3.649 -9.884 -8.547 1.00 0.00 H new ATOM 0 HB ILE A 72 1.901 -11.719 -6.883 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.382 -10.017 -7.675 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.770 -9.698 -5.996 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.898 -10.447 -5.026 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.143 -11.203 -6.047 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.810 -9.461 -6.194 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.758 -7.629 -7.301 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.393 -7.970 -6.686 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.998 -8.294 -8.391 1.00 0.00 H new ATOM 1180 N ALA A 73 5.039 -11.912 -8.852 1.00 0.00 N ATOM 1181 CA ALA A 73 5.888 -13.081 -9.050 1.00 0.00 C ATOM 1182 C ALA A 73 7.276 -12.857 -8.459 1.00 0.00 C ATOM 1183 O ALA A 73 7.765 -11.728 -8.406 1.00 0.00 O ATOM 1184 CB ALA A 73 5.991 -13.413 -10.531 1.00 0.00 C ATOM 0 H ALA A 73 5.537 -11.022 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 73 5.432 -13.924 -8.531 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.628 -14.288 -10.664 1.00 0.00 H new ATOM 0 HB2 ALA A 73 4.997 -13.624 -10.927 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.422 -12.566 -11.065 1.00 0.00 H new ATOM 1190 N LEU A 74 7.905 -13.939 -8.014 1.00 0.00 N ATOM 1191 CA LEU A 74 9.238 -13.861 -7.425 1.00 0.00 C ATOM 1192 C LEU A 74 10.249 -13.328 -8.435 1.00 0.00 C ATOM 1193 O LEU A 74 10.208 -13.678 -9.615 1.00 0.00 O ATOM 1194 CB LEU A 74 9.677 -15.238 -6.925 1.00 0.00 C ATOM 1195 CG LEU A 74 9.271 -15.594 -5.494 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.219 -14.949 -4.495 1.00 0.00 C ATOM 1197 CD2 LEU A 74 7.836 -15.164 -5.224 1.00 0.00 C ATOM 0 H LEU A 74 7.514 -14.880 -8.050 1.00 0.00 H new ATOM 0 HA LEU A 74 9.196 -13.171 -6.582 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.268 -15.993 -7.596 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.763 -15.300 -6.999 1.00 0.00 H new ATOM 0 HG LEU A 74 9.333 -16.676 -5.377 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.915 -15.213 -3.482 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.234 -15.305 -4.674 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.189 -13.866 -4.612 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.564 -15.425 -4.201 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.748 -14.086 -5.359 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.167 -15.673 -5.918 1.00 0.00 H new ATOM 1209 N LEU A 75 11.157 -12.481 -7.963 1.00 0.00 N ATOM 1210 CA LEU A 75 12.182 -11.900 -8.824 1.00 0.00 C ATOM 1211 C LEU A 75 12.909 -12.985 -9.613 1.00 0.00 C ATOM 1212 O LEU A 75 12.691 -14.177 -9.396 1.00 0.00 O ATOM 1213 CB LEU A 75 13.184 -11.101 -7.990 1.00 0.00 C ATOM 1214 CG LEU A 75 12.660 -9.804 -7.373 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.815 -8.914 -6.940 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.759 -9.071 -8.356 1.00 0.00 C ATOM 0 H LEU A 75 11.205 -12.181 -6.989 1.00 0.00 H new ATOM 0 HA LEU A 75 11.692 -11.230 -9.530 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.549 -11.741 -7.186 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.040 -10.860 -8.620 1.00 0.00 H new ATOM 0 HG LEU A 75 12.072 -10.056 -6.491 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.423 -7.996 -6.503 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.420 -9.438 -6.200 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.431 -8.670 -7.806 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.395 -8.150 -7.900 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.323 -8.831 -9.257 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.912 -9.706 -8.616 1.00 0.00 H new ATOM 1377 N TYR A 85 14.717 -10.365 -0.502 1.00 0.00 N ATOM 1378 CA TYR A 85 13.373 -10.481 0.050 1.00 0.00 C ATOM 1379 C TYR A 85 12.424 -9.489 -0.616 1.00 0.00 C ATOM 1380 O TYR A 85 11.642 -8.815 0.055 1.00 0.00 O ATOM 1381 CB TYR A 85 13.397 -10.245 1.561 1.00 0.00 C ATOM 1382 CG TYR A 85 14.263 -11.230 2.314 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.624 -11.329 2.053 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.719 -12.062 3.285 1.00 0.00 C ATOM 1385 CE1 TYR A 85 16.419 -12.228 2.738 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.507 -12.962 3.976 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.856 -13.042 3.699 1.00 0.00 C ATOM 1388 OH TYR A 85 16.643 -13.939 4.383 1.00 0.00 O ATOM 0 HA TYR A 85 13.012 -11.491 -0.147 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.756 -9.235 1.757 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.379 -10.301 1.945 1.00 0.00 H new ATOM 0 HD1 TYR A 85 16.068 -10.693 1.302 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.663 -12.004 3.503 1.00 0.00 H new ATOM 0 HE1 TYR A 85 17.475 -12.293 2.522 1.00 0.00 H new ATOM 0 HE2 TYR A 85 14.069 -13.600 4.729 1.00 0.00 H new ATOM 0 HH TYR A 85 16.092 -14.434 5.025 1.00 0.00 H new ATOM 1398 N ALA A 86 12.498 -9.407 -1.940 1.00 0.00 N ATOM 1399 CA ALA A 86 11.644 -8.501 -2.698 1.00 0.00 C ATOM 1400 C ALA A 86 10.943 -9.231 -3.838 1.00 0.00 C ATOM 1401 O ALA A 86 11.245 -10.390 -4.125 1.00 0.00 O ATOM 1402 CB ALA A 86 12.460 -7.335 -3.239 1.00 0.00 C ATOM 0 H ALA A 86 13.141 -9.957 -2.510 1.00 0.00 H new ATOM 0 HA ALA A 86 10.879 -8.114 -2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.810 -6.666 -3.803 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.909 -6.789 -2.409 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.246 -7.713 -3.893 1.00 0.00 H new ATOM 1408 N PHE A 87 10.005 -8.548 -4.485 1.00 0.00 N ATOM 1409 CA PHE A 87 9.260 -9.133 -5.593 1.00 0.00 C ATOM 1410 C PHE A 87 9.050 -8.111 -6.707 1.00 0.00 C ATOM 1411 O PHE A 87 9.550 -6.989 -6.639 1.00 0.00 O ATOM 1412 CB PHE A 87 7.907 -9.657 -5.106 1.00 0.00 C ATOM 1413 CG PHE A 87 7.333 -8.865 -3.966 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.903 -8.926 -2.705 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.222 -8.059 -4.157 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.377 -8.197 -1.655 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.692 -7.328 -3.110 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.269 -7.398 -1.857 1.00 0.00 C ATOM 0 H PHE A 87 9.743 -7.588 -4.261 1.00 0.00 H new ATOM 0 HA PHE A 87 9.842 -9.964 -5.991 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.202 -9.646 -5.937 1.00 0.00 H new ATOM 0 HB3 PHE A 87 8.019 -10.696 -4.796 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.769 -9.551 -2.540 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.765 -8.001 -5.134 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.832 -8.252 -0.677 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.827 -6.702 -3.272 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.855 -6.829 -1.038 1.00 0.00 H new ATOM 1428 N LYS A 88 8.307 -8.510 -7.735 1.00 0.00 N ATOM 1429 CA LYS A 88 8.029 -7.631 -8.865 1.00 0.00 C ATOM 1430 C LYS A 88 6.621 -7.865 -9.402 1.00 0.00 C ATOM 1431 O LYS A 88 6.146 -8.999 -9.452 1.00 0.00 O ATOM 1432 CB LYS A 88 9.056 -7.857 -9.977 1.00 0.00 C ATOM 1433 CG LYS A 88 8.895 -9.187 -10.692 1.00 0.00 C ATOM 1434 CD LYS A 88 9.699 -9.228 -11.981 1.00 0.00 C ATOM 1435 CE LYS A 88 9.078 -10.176 -12.995 1.00 0.00 C ATOM 1436 NZ LYS A 88 9.863 -10.229 -14.259 1.00 0.00 N ATOM 0 H LYS A 88 7.887 -9.437 -7.808 1.00 0.00 H new ATOM 0 HA LYS A 88 8.099 -6.600 -8.518 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.974 -7.050 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.058 -7.802 -9.551 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.217 -9.995 -10.035 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.841 -9.357 -10.914 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.758 -8.226 -12.406 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.720 -9.543 -11.765 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.014 -11.176 -12.565 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.059 -9.857 -13.214 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 9.407 -10.886 -14.924 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 9.903 -9.280 -14.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 10.828 -10.558 -14.055 1.00 0.00 H new ATOM 1450 N ALA A 89 5.960 -6.785 -9.806 1.00 0.00 N ATOM 1451 CA ALA A 89 4.608 -6.874 -10.343 1.00 0.00 C ATOM 1452 C ALA A 89 4.572 -6.461 -11.811 1.00 0.00 C ATOM 1453 O ALA A 89 5.006 -5.366 -12.168 1.00 0.00 O ATOM 1454 CB ALA A 89 3.658 -6.011 -9.527 1.00 0.00 C ATOM 0 H ALA A 89 6.339 -5.839 -9.772 1.00 0.00 H new ATOM 0 HA ALA A 89 4.285 -7.913 -10.277 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.652 -6.087 -9.940 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.653 -6.354 -8.492 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.987 -4.973 -9.564 1.00 0.00 H new ATOM 1460 N ALA A 90 4.053 -7.344 -12.657 1.00 0.00 N ATOM 1461 CA ALA A 90 3.960 -7.070 -14.086 1.00 0.00 C ATOM 1462 C ALA A 90 2.567 -6.576 -14.460 1.00 0.00 C ATOM 1463 O ALA A 90 1.566 -7.030 -13.905 1.00 0.00 O ATOM 1464 CB ALA A 90 4.313 -8.315 -14.886 1.00 0.00 C ATOM 0 H ALA A 90 3.690 -8.256 -12.378 1.00 0.00 H new ATOM 0 HA ALA A 90 4.674 -6.282 -14.327 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.239 -8.096 -15.951 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.331 -8.624 -14.648 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.622 -9.119 -14.632 1.00 0.00 H new ATOM 1470 N HIS A 91 2.509 -5.642 -15.405 1.00 0.00 N ATOM 1471 CA HIS A 91 1.238 -5.086 -15.853 1.00 0.00 C ATOM 1472 C HIS A 91 1.151 -5.089 -17.376 1.00 0.00 C ATOM 1473 O HIS A 91 2.125 -4.818 -18.079 1.00 0.00 O ATOM 1474 CB HIS A 91 1.065 -3.662 -15.324 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.367 -3.252 -15.164 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -1.110 -2.699 -16.186 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.192 -3.319 -14.094 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.330 -2.442 -15.750 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.406 -2.809 -14.484 1.00 0.00 N ATOM 0 H HIS A 91 3.328 -5.255 -15.875 1.00 0.00 H new ATOM 0 HA HIS A 91 0.437 -5.712 -15.459 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.568 -3.577 -14.361 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.559 -2.968 -16.004 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.942 -3.702 -13.116 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -3.130 -2.006 -16.330 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.232 -2.727 -13.892 1.00 0.00 H new ATOM 1488 N PRO A 92 -0.043 -5.405 -17.901 1.00 0.00 N ATOM 1489 CA PRO A 92 -0.286 -5.451 -19.346 1.00 0.00 C ATOM 1490 C PRO A 92 -0.361 -4.060 -19.966 1.00 0.00 C ATOM 1491 O PRO A 92 0.290 -3.784 -20.972 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.638 -6.160 -19.455 1.00 0.00 C ATOM 1493 CG PRO A 92 -2.331 -5.854 -18.173 1.00 0.00 C ATOM 1494 CD PRO A 92 -1.248 -5.739 -17.123 1.00 0.00 C ATOM 0 HA PRO A 92 0.520 -5.956 -19.879 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -2.208 -5.796 -20.310 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -1.512 -7.234 -19.590 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.899 -4.927 -18.249 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -3.040 -6.641 -17.916 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.480 -4.965 -16.391 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -1.124 -6.671 -16.572 1.00 0.00 H new ATOM 1502 N ASN A 93 -1.159 -3.189 -19.358 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.319 -1.825 -19.851 1.00 0.00 C ATOM 1504 C ASN A 93 -0.324 -0.884 -19.180 1.00 0.00 C ATOM 1505 O ASN A 93 -0.386 0.332 -19.360 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.747 -1.336 -19.605 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.123 -0.174 -20.504 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.591 -0.028 -21.604 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.046 0.660 -20.037 1.00 0.00 N ATOM 0 H ASN A 93 -1.705 -3.403 -18.523 1.00 0.00 H new ATOM 0 HA ASN A 93 -1.123 -1.827 -20.923 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -3.443 -2.159 -19.769 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.850 -1.034 -18.563 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.340 1.460 -20.597 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.460 0.500 -19.119 1.00 0.00 H new ATOM 1516 N MET A 94 0.593 -1.455 -18.407 1.00 0.00 N ATOM 1517 CA MET A 94 1.603 -0.666 -17.710 1.00 0.00 C ATOM 1518 C MET A 94 2.930 -1.416 -17.646 1.00 0.00 C ATOM 1519 O MET A 94 3.067 -2.502 -18.209 1.00 0.00 O ATOM 1520 CB MET A 94 1.128 -0.324 -16.296 1.00 0.00 C ATOM 1521 CG MET A 94 0.198 0.876 -16.241 1.00 0.00 C ATOM 1522 SD MET A 94 -0.948 0.804 -14.851 1.00 0.00 S ATOM 1523 CE MET A 94 0.192 0.605 -13.483 1.00 0.00 C ATOM 0 H MET A 94 0.658 -2.460 -18.247 1.00 0.00 H new ATOM 0 HA MET A 94 1.755 0.258 -18.268 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.617 -1.189 -15.874 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.997 -0.129 -15.667 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.791 1.788 -16.171 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.368 0.935 -17.171 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.360 0.315 -12.589 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.921 -0.168 -13.726 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.710 1.547 -13.301 1.00 0.00 H new ATOM 1533 N ARG A 95 3.903 -0.830 -16.957 1.00 0.00 N ATOM 1534 CA ARG A 95 5.219 -1.442 -16.821 1.00 0.00 C ATOM 1535 C ARG A 95 5.279 -2.333 -15.584 1.00 0.00 C ATOM 1536 O ARG A 95 4.292 -2.480 -14.862 1.00 0.00 O ATOM 1537 CB ARG A 95 6.301 -0.364 -16.739 1.00 0.00 C ATOM 1538 CG ARG A 95 6.158 0.552 -15.534 1.00 0.00 C ATOM 1539 CD ARG A 95 7.252 1.608 -15.504 1.00 0.00 C ATOM 1540 NE ARG A 95 6.879 2.804 -16.255 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.605 3.916 -16.274 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.737 3.984 -15.587 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.199 4.963 -16.980 1.00 0.00 N ATOM 0 H ARG A 95 3.805 0.068 -16.484 1.00 0.00 H new ATOM 0 HA ARG A 95 5.397 -2.059 -17.701 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.279 -0.844 -16.706 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.272 0.238 -17.648 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.183 1.038 -15.559 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.197 -0.040 -14.619 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.464 1.881 -14.470 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.170 1.191 -15.919 1.00 0.00 H new ATOM 0 HE ARG A 95 6.014 2.784 -16.794 1.00 0.00 H new ATOM 0 HH11 ARG A 95 9.052 3.181 -15.042 1.00 0.00 H new ATOM 0 HH12 ARG A 95 9.293 4.839 -15.603 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.328 4.915 -17.509 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.757 5.816 -16.994 1.00 0.00 H new ATOM 1557 N THR A 96 6.444 -2.928 -15.345 1.00 0.00 N ATOM 1558 CA THR A 96 6.633 -3.806 -14.197 1.00 0.00 C ATOM 1559 C THR A 96 7.144 -3.030 -12.989 1.00 0.00 C ATOM 1560 O THR A 96 8.182 -2.372 -13.056 1.00 0.00 O ATOM 1561 CB THR A 96 7.620 -4.945 -14.517 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.186 -5.657 -15.681 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.737 -5.905 -13.343 1.00 0.00 C ATOM 0 H THR A 96 7.271 -2.817 -15.932 1.00 0.00 H new ATOM 0 HA THR A 96 5.658 -4.235 -13.964 1.00 0.00 H new ATOM 0 HB THR A 96 8.599 -4.505 -14.705 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.820 -6.378 -15.879 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.439 -6.701 -13.592 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.096 -5.366 -12.466 1.00 0.00 H new ATOM 0 HG23 THR A 96 6.760 -6.338 -13.128 1.00 0.00 H new ATOM 1571 N TYR A 97 6.409 -3.111 -11.886 1.00 0.00 N ATOM 1572 CA TYR A 97 6.788 -2.414 -10.662 1.00 0.00 C ATOM 1573 C TYR A 97 7.712 -3.276 -9.808 1.00 0.00 C ATOM 1574 O TYR A 97 7.879 -4.469 -10.063 1.00 0.00 O ATOM 1575 CB TYR A 97 5.542 -2.033 -9.861 1.00 0.00 C ATOM 1576 CG TYR A 97 4.837 -0.802 -10.386 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.685 -0.594 -11.751 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.322 0.151 -9.517 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.042 0.529 -12.236 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.676 1.277 -9.992 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.540 1.461 -11.352 1.00 0.00 C ATOM 1582 OH TYR A 97 2.898 2.580 -11.830 1.00 0.00 O ATOM 0 H TYR A 97 5.547 -3.652 -11.814 1.00 0.00 H new ATOM 0 HA TYR A 97 7.324 -1.507 -10.941 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.845 -2.871 -9.868 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.826 -1.864 -8.822 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.076 -1.323 -12.445 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.428 0.010 -8.452 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.933 0.676 -13.300 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.280 2.008 -9.302 1.00 0.00 H new ATOM 0 HH TYR A 97 2.604 3.135 -11.078 1.00 0.00 H new ATOM 1592 N TYR A 98 8.310 -2.663 -8.792 1.00 0.00 N ATOM 1593 CA TYR A 98 9.218 -3.373 -7.899 1.00 0.00 C ATOM 1594 C TYR A 98 9.004 -2.945 -6.451 1.00 0.00 C ATOM 1595 O TYR A 98 8.852 -1.759 -6.157 1.00 0.00 O ATOM 1596 CB TYR A 98 10.670 -3.118 -8.308 1.00 0.00 C ATOM 1597 CG TYR A 98 11.139 -3.987 -9.453 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.878 -3.634 -10.771 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.841 -5.163 -9.217 1.00 0.00 C ATOM 1600 CE1 TYR A 98 11.303 -4.425 -11.821 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.271 -5.959 -10.260 1.00 0.00 C ATOM 1602 CZ TYR A 98 12.000 -5.587 -11.560 1.00 0.00 C ATOM 1603 OH TYR A 98 12.425 -6.379 -12.601 1.00 0.00 O ATOM 0 H TYR A 98 8.182 -1.676 -8.567 1.00 0.00 H new ATOM 0 HA TYR A 98 9.006 -4.439 -7.979 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.781 -2.071 -8.589 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.316 -3.287 -7.447 1.00 0.00 H new ATOM 0 HD1 TYR A 98 10.333 -2.725 -10.979 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.054 -5.459 -8.200 1.00 0.00 H new ATOM 0 HE1 TYR A 98 11.091 -4.136 -12.840 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.817 -6.869 -10.059 1.00 0.00 H new ATOM 0 HH TYR A 98 12.901 -7.158 -12.246 1.00 0.00 H new ATOM 1613 N PHE A 99 8.993 -3.920 -5.548 1.00 0.00 N ATOM 1614 CA PHE A 99 8.797 -3.647 -4.129 1.00 0.00 C ATOM 1615 C PHE A 99 9.680 -4.551 -3.274 1.00 0.00 C ATOM 1616 O PHE A 99 10.079 -5.634 -3.704 1.00 0.00 O ATOM 1617 CB PHE A 99 7.328 -3.843 -3.749 1.00 0.00 C ATOM 1618 CG PHE A 99 6.370 -3.177 -4.695 1.00 0.00 C ATOM 1619 CD1 PHE A 99 6.120 -1.817 -4.606 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.718 -3.911 -5.673 1.00 0.00 C ATOM 1621 CE1 PHE A 99 5.239 -1.201 -5.475 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.837 -3.301 -6.545 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.596 -1.944 -6.446 1.00 0.00 C ATOM 0 H PHE A 99 9.118 -4.907 -5.774 1.00 0.00 H new ATOM 0 HA PHE A 99 9.079 -2.611 -3.941 1.00 0.00 H new ATOM 0 HB2 PHE A 99 7.109 -4.910 -3.715 1.00 0.00 H new ATOM 0 HB3 PHE A 99 7.165 -3.452 -2.745 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.619 -1.231 -3.849 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.901 -4.972 -5.754 1.00 0.00 H new ATOM 0 HE1 PHE A 99 5.054 -0.140 -5.395 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.337 -3.885 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.907 -1.466 -7.126 1.00 0.00 H new ATOM 1633 N CYS A 100 9.980 -4.099 -2.062 1.00 0.00 N ATOM 1634 CA CYS A 100 10.818 -4.865 -1.146 1.00 0.00 C ATOM 1635 C CYS A 100 10.408 -4.615 0.302 1.00 0.00 C ATOM 1636 O CYS A 100 9.716 -3.643 0.605 1.00 0.00 O ATOM 1637 CB CYS A 100 12.290 -4.502 -1.342 1.00 0.00 C ATOM 1638 SG CYS A 100 12.746 -2.884 -0.677 1.00 0.00 S ATOM 0 H CYS A 100 9.656 -3.206 -1.690 1.00 0.00 H new ATOM 0 HA CYS A 100 10.681 -5.924 -1.367 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.907 -5.265 -0.868 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.520 -4.523 -2.407 1.00 0.00 H new ATOM 0 HG CYS A 100 12.725 -2.001 -1.631 1.00 0.00 H new ATOM 1644 N THR A 101 10.839 -5.502 1.195 1.00 0.00 N ATOM 1645 CA THR A 101 10.516 -5.379 2.611 1.00 0.00 C ATOM 1646 C THR A 101 11.767 -5.502 3.473 1.00 0.00 C ATOM 1647 O THR A 101 12.876 -5.646 2.958 1.00 0.00 O ATOM 1648 CB THR A 101 9.498 -6.449 3.049 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.910 -7.738 2.582 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.111 -6.129 2.510 1.00 0.00 C ATOM 0 H THR A 101 11.412 -6.313 0.962 1.00 0.00 H new ATOM 0 HA THR A 101 10.077 -4.391 2.751 1.00 0.00 H new ATOM 0 HB THR A 101 9.456 -6.454 4.138 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.089 -8.322 3.349 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.409 -6.898 2.832 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.787 -5.160 2.890 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.142 -6.099 1.421 1.00 0.00 H new ATOM 1658 N ASP A 102 11.582 -5.445 4.787 1.00 0.00 N ATOM 1659 CA ASP A 102 12.696 -5.551 5.722 1.00 0.00 C ATOM 1660 C ASP A 102 13.101 -7.009 5.921 1.00 0.00 C ATOM 1661 O ASP A 102 14.285 -7.345 5.898 1.00 0.00 O ATOM 1662 CB ASP A 102 12.324 -4.924 7.066 1.00 0.00 C ATOM 1663 CG ASP A 102 12.441 -3.412 7.052 1.00 0.00 C ATOM 1664 OD1 ASP A 102 13.471 -2.901 6.563 1.00 0.00 O ATOM 1665 OD2 ASP A 102 11.503 -2.740 7.528 1.00 0.00 O ATOM 0 H ASP A 102 10.671 -5.326 5.229 1.00 0.00 H new ATOM 0 HA ASP A 102 13.544 -5.011 5.301 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.303 -5.204 7.324 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.972 -5.328 7.844 1.00 0.00 H new ATOM 1670 N THR A 103 12.108 -7.871 6.118 1.00 0.00 N ATOM 1671 CA THR A 103 12.361 -9.292 6.324 1.00 0.00 C ATOM 1672 C THR A 103 11.341 -10.145 5.578 1.00 0.00 C ATOM 1673 O THR A 103 10.486 -9.624 4.863 1.00 0.00 O ATOM 1674 CB THR A 103 12.323 -9.658 7.820 1.00 0.00 C ATOM 1675 OG1 THR A 103 11.024 -9.385 8.358 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.373 -8.878 8.595 1.00 0.00 C ATOM 0 H THR A 103 11.122 -7.610 6.139 1.00 0.00 H new ATOM 0 HA THR A 103 13.358 -9.496 5.933 1.00 0.00 H new ATOM 0 HB THR A 103 12.540 -10.722 7.917 1.00 0.00 H new ATOM 0 HG1 THR A 103 11.007 -9.622 9.309 1.00 0.00 H new ATOM 0 HG21 THR A 103 13.327 -9.153 9.649 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.363 -9.111 8.202 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.183 -7.810 8.491 1.00 0.00 H new ATOM 1684 N GLY A 104 11.437 -11.460 5.750 1.00 0.00 N ATOM 1685 CA GLY A 104 10.516 -12.364 5.086 1.00 0.00 C ATOM 1686 C GLY A 104 9.075 -12.124 5.490 1.00 0.00 C ATOM 1687 O GLY A 104 8.167 -12.214 4.664 1.00 0.00 O ATOM 0 H GLY A 104 12.136 -11.915 6.337 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.612 -12.247 4.007 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.789 -13.393 5.320 1.00 0.00 H new ATOM 1691 N LYS A 105 8.864 -11.818 6.766 1.00 0.00 N ATOM 1692 CA LYS A 105 7.523 -11.564 7.280 1.00 0.00 C ATOM 1693 C LYS A 105 6.865 -10.407 6.535 1.00 0.00 C ATOM 1694 O LYS A 105 5.830 -10.579 5.893 1.00 0.00 O ATOM 1695 CB LYS A 105 7.578 -11.255 8.777 1.00 0.00 C ATOM 1696 CG LYS A 105 6.210 -11.115 9.421 1.00 0.00 C ATOM 1697 CD LYS A 105 5.455 -12.434 9.418 1.00 0.00 C ATOM 1698 CE LYS A 105 4.465 -12.512 10.570 1.00 0.00 C ATOM 1699 NZ LYS A 105 4.180 -13.920 10.962 1.00 0.00 N ATOM 0 H LYS A 105 9.605 -11.740 7.463 1.00 0.00 H new ATOM 0 HA LYS A 105 6.925 -12.462 7.123 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.129 -12.048 9.283 1.00 0.00 H new ATOM 0 HB3 LYS A 105 8.137 -10.332 8.928 1.00 0.00 H new ATOM 0 HG2 LYS A 105 6.324 -10.762 10.446 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.631 -10.362 8.887 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.925 -12.549 8.473 1.00 0.00 H new ATOM 0 HD3 LYS A 105 6.163 -13.260 9.489 1.00 0.00 H new ATOM 0 HE2 LYS A 105 4.863 -11.970 11.428 1.00 0.00 H new ATOM 0 HE3 LYS A 105 3.536 -12.019 10.284 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 3.501 -13.930 11.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 3.777 -14.431 10.151 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 5.063 -14.383 11.259 1.00 0.00 H new ATOM 1713 N GLU A 106 7.474 -9.229 6.625 1.00 0.00 N ATOM 1714 CA GLU A 106 6.946 -8.044 5.959 1.00 0.00 C ATOM 1715 C GLU A 106 6.644 -8.334 4.492 1.00 0.00 C ATOM 1716 O GLU A 106 5.885 -7.610 3.848 1.00 0.00 O ATOM 1717 CB GLU A 106 7.940 -6.885 6.067 1.00 0.00 C ATOM 1718 CG GLU A 106 7.830 -6.109 7.369 1.00 0.00 C ATOM 1719 CD GLU A 106 8.355 -4.691 7.248 1.00 0.00 C ATOM 1720 OE1 GLU A 106 8.314 -4.137 6.129 1.00 0.00 O ATOM 1721 OE2 GLU A 106 8.806 -4.136 8.271 1.00 0.00 O ATOM 0 H GLU A 106 8.333 -9.070 7.152 1.00 0.00 H new ATOM 0 HA GLU A 106 6.017 -7.764 6.455 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.953 -7.276 5.971 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.781 -6.202 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 106 6.787 -6.081 7.684 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.384 -6.633 8.148 1.00 0.00 H new ATOM 1728 N MET A 107 7.244 -9.398 3.969 1.00 0.00 N ATOM 1729 CA MET A 107 7.040 -9.785 2.578 1.00 0.00 C ATOM 1730 C MET A 107 5.835 -10.711 2.443 1.00 0.00 C ATOM 1731 O MET A 107 5.002 -10.534 1.555 1.00 0.00 O ATOM 1732 CB MET A 107 8.291 -10.472 2.028 1.00 0.00 C ATOM 1733 CG MET A 107 8.052 -11.215 0.723 1.00 0.00 C ATOM 1734 SD MET A 107 9.569 -11.470 -0.218 1.00 0.00 S ATOM 1735 CE MET A 107 9.395 -13.192 -0.678 1.00 0.00 C ATOM 0 H MET A 107 7.876 -10.008 4.488 1.00 0.00 H new ATOM 0 HA MET A 107 6.848 -8.881 2.000 1.00 0.00 H new ATOM 0 HB2 MET A 107 9.068 -9.724 1.874 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.667 -11.174 2.772 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.595 -12.181 0.938 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.342 -10.655 0.115 1.00 0.00 H new ATOM 0 HE1 MET A 107 9.880 -13.363 -1.639 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.862 -13.820 0.080 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.337 -13.443 -0.756 1.00 0.00 H new ATOM 1745 N GLU A 108 5.751 -11.698 3.329 1.00 0.00 N ATOM 1746 CA GLU A 108 4.648 -12.652 3.307 1.00 0.00 C ATOM 1747 C GLU A 108 3.311 -11.943 3.504 1.00 0.00 C ATOM 1748 O GLU A 108 2.315 -12.283 2.865 1.00 0.00 O ATOM 1749 CB GLU A 108 4.840 -13.714 4.392 1.00 0.00 C ATOM 1750 CG GLU A 108 4.209 -13.343 5.724 1.00 0.00 C ATOM 1751 CD GLU A 108 4.373 -14.430 6.769 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.511 -14.627 7.246 1.00 0.00 O ATOM 1753 OE2 GLU A 108 3.365 -15.083 7.109 1.00 0.00 O ATOM 0 H GLU A 108 6.433 -11.858 4.071 1.00 0.00 H new ATOM 0 HA GLU A 108 4.642 -13.138 2.331 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.413 -14.656 4.047 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.907 -13.883 4.539 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.659 -12.420 6.091 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.148 -13.143 5.576 1.00 0.00 H new ATOM 1760 N LEU A 109 3.298 -10.957 4.394 1.00 0.00 N ATOM 1761 CA LEU A 109 2.084 -10.199 4.677 1.00 0.00 C ATOM 1762 C LEU A 109 1.619 -9.434 3.442 1.00 0.00 C ATOM 1763 O LEU A 109 0.435 -9.441 3.105 1.00 0.00 O ATOM 1764 CB LEU A 109 2.324 -9.227 5.833 1.00 0.00 C ATOM 1765 CG LEU A 109 2.879 -9.838 7.120 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.001 -8.779 8.205 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.995 -10.985 7.590 1.00 0.00 C ATOM 0 H LEU A 109 4.114 -10.664 4.932 1.00 0.00 H new ATOM 0 HA LEU A 109 1.303 -10.904 4.960 1.00 0.00 H new ATOM 0 HB2 LEU A 109 3.014 -8.454 5.494 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.381 -8.732 6.067 1.00 0.00 H new ATOM 0 HG LEU A 109 3.874 -10.233 6.912 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.398 -9.233 9.113 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.674 -7.990 7.869 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.019 -8.354 8.411 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.405 -11.408 8.507 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.988 -10.614 7.780 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.958 -11.755 6.820 1.00 0.00 H new ATOM 1779 N TRP A 110 2.558 -8.777 2.771 1.00 0.00 N ATOM 1780 CA TRP A 110 2.245 -8.008 1.572 1.00 0.00 C ATOM 1781 C TRP A 110 1.853 -8.930 0.422 1.00 0.00 C ATOM 1782 O TRP A 110 0.843 -8.709 -0.246 1.00 0.00 O ATOM 1783 CB TRP A 110 3.441 -7.146 1.167 1.00 0.00 C ATOM 1784 CG TRP A 110 3.431 -5.784 1.792 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.431 -5.212 2.525 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.369 -4.825 1.739 1.00 0.00 C ATOM 1787 NE1 TRP A 110 4.054 -3.954 2.932 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.794 -3.693 2.462 1.00 0.00 C ATOM 1789 CE3 TRP A 110 1.102 -4.812 1.150 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.996 -2.563 2.611 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.310 -3.689 1.300 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.759 -2.577 2.025 1.00 0.00 C ATOM 0 H TRP A 110 3.543 -8.761 3.037 1.00 0.00 H new ATOM 0 HA TRP A 110 1.399 -7.359 1.797 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.361 -7.659 1.447 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.452 -7.040 0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.378 -5.679 2.752 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.621 -3.318 3.493 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.748 -5.664 0.588 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.340 -1.705 3.169 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.672 -3.668 0.851 1.00 0.00 H new ATOM 0 HH2 TRP A 110 0.117 -1.714 2.123 1.00 0.00 H new ATOM 1803 N MET A 111 2.658 -9.963 0.197 1.00 0.00 N ATOM 1804 CA MET A 111 2.393 -10.918 -0.873 1.00 0.00 C ATOM 1805 C MET A 111 1.062 -11.629 -0.650 1.00 0.00 C ATOM 1806 O MET A 111 0.138 -11.503 -1.453 1.00 0.00 O ATOM 1807 CB MET A 111 3.524 -11.945 -0.960 1.00 0.00 C ATOM 1808 CG MET A 111 4.842 -11.359 -1.439 1.00 0.00 C ATOM 1809 SD MET A 111 5.921 -12.595 -2.186 1.00 0.00 S ATOM 1810 CE MET A 111 5.665 -12.260 -3.927 1.00 0.00 C ATOM 0 H MET A 111 3.498 -10.160 0.740 1.00 0.00 H new ATOM 0 HA MET A 111 2.338 -10.367 -1.812 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.671 -12.395 0.022 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.225 -12.746 -1.636 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.642 -10.571 -2.165 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.356 -10.895 -0.597 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.596 -12.425 -4.470 1.00 0.00 H new ATOM 0 HE2 MET A 111 4.895 -12.926 -4.316 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.349 -11.225 -4.056 1.00 0.00 H new ATOM 1820 N LYS A 112 0.970 -12.375 0.446 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.248 -13.105 0.775 1.00 0.00 C ATOM 1822 C LYS A 112 -1.484 -12.328 0.334 1.00 0.00 C ATOM 1823 O LYS A 112 -2.413 -12.895 -0.240 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.313 -13.375 2.280 1.00 0.00 C ATOM 1825 CG LYS A 112 0.513 -14.572 2.720 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.078 -15.875 2.208 1.00 0.00 C ATOM 1827 CE LYS A 112 0.331 -17.052 3.080 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.435 -18.284 2.743 1.00 0.00 N ATOM 0 H LYS A 112 1.725 -12.490 1.122 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.228 -14.055 0.241 1.00 0.00 H new ATOM 0 HB2 LYS A 112 0.032 -12.490 2.815 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.352 -13.536 2.567 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.534 -14.465 2.353 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.566 -14.598 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.165 -15.798 2.184 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.252 -16.048 1.183 1.00 0.00 H new ATOM 0 HE2 LYS A 112 1.397 -17.242 2.957 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.171 -16.800 4.128 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.127 -19.063 3.359 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -1.451 -18.111 2.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.263 -18.539 1.750 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.487 -11.026 0.604 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.608 -10.172 0.231 1.00 0.00 C ATOM 1844 C ALA A 113 -2.554 -9.811 -1.249 1.00 0.00 C ATOM 1845 O ALA A 113 -3.472 -10.122 -2.007 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.616 -8.911 1.084 1.00 0.00 C ATOM 0 H ALA A 113 -0.726 -10.540 1.079 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.530 -10.725 0.410 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.458 -8.282 0.795 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.710 -9.183 2.135 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.686 -8.364 0.933 1.00 0.00 H new ATOM 1852 N MET A 114 -1.473 -9.152 -1.654 1.00 0.00 N ATOM 1853 CA MET A 114 -1.300 -8.750 -3.045 1.00 0.00 C ATOM 1854 C MET A 114 -1.736 -9.863 -3.992 1.00 0.00 C ATOM 1855 O MET A 114 -2.596 -9.661 -4.850 1.00 0.00 O ATOM 1856 CB MET A 114 0.160 -8.379 -3.314 1.00 0.00 C ATOM 1857 CG MET A 114 0.508 -6.954 -2.917 1.00 0.00 C ATOM 1858 SD MET A 114 2.127 -6.440 -3.522 1.00 0.00 S ATOM 1859 CE MET A 114 2.704 -5.449 -2.146 1.00 0.00 C ATOM 0 H MET A 114 -0.704 -8.885 -1.039 1.00 0.00 H new ATOM 0 HA MET A 114 -1.928 -7.878 -3.225 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.807 -9.067 -2.770 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.371 -8.514 -4.375 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.253 -6.277 -3.306 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.486 -6.868 -1.831 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.556 -4.393 -2.371 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.143 -5.711 -1.249 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.764 -5.640 -1.980 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.138 -11.039 -3.831 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.465 -12.185 -4.671 1.00 0.00 C ATOM 1871 C LEU A 115 -2.963 -12.474 -4.640 1.00 0.00 C ATOM 1872 O LEU A 115 -3.569 -12.774 -5.668 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.686 -13.419 -4.211 1.00 0.00 C ATOM 1874 CG LEU A 115 0.741 -13.549 -4.745 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.729 -13.835 -6.238 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.538 -12.286 -4.448 1.00 0.00 C ATOM 0 H LEU A 115 -0.424 -11.223 -3.126 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.181 -11.945 -5.696 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.646 -13.414 -3.122 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.245 -14.307 -4.505 1.00 0.00 H new ATOM 0 HG LEU A 115 1.223 -14.386 -4.240 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.753 -13.924 -6.600 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.196 -14.767 -6.426 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.229 -13.019 -6.761 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.551 -12.396 -4.835 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.058 -11.432 -4.926 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.576 -12.125 -3.371 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.553 -12.380 -3.453 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.980 -12.628 -3.288 1.00 0.00 C ATOM 1890 C ASP A 116 -5.804 -11.529 -3.953 1.00 0.00 C ATOM 1891 O ASP A 116 -6.964 -11.737 -4.307 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.335 -12.720 -1.803 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.517 -13.634 -1.545 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.732 -14.565 -2.349 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -7.226 -13.418 -0.540 1.00 0.00 O ATOM 0 H ASP A 116 -3.065 -12.134 -2.592 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.216 -13.577 -3.770 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.470 -13.084 -1.248 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.561 -11.723 -1.424 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.195 -10.359 -4.118 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.872 -9.228 -4.741 1.00 0.00 C ATOM 1902 C ALA A 117 -5.434 -9.057 -6.192 1.00 0.00 C ATOM 1903 O ALA A 117 -5.921 -8.175 -6.898 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.603 -7.954 -3.954 1.00 0.00 C ATOM 0 H ALA A 117 -4.235 -10.170 -3.829 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.943 -9.428 -4.733 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.114 -7.117 -4.430 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.971 -8.071 -2.935 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.531 -7.759 -3.933 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.511 -9.907 -6.630 1.00 0.00 N ATOM 1911 CA ALA A 118 -4.009 -9.852 -7.997 1.00 0.00 C ATOM 1912 C ALA A 118 -4.508 -11.038 -8.815 1.00 0.00 C ATOM 1913 O ALA A 118 -4.864 -10.893 -9.985 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.488 -9.809 -8.000 1.00 0.00 C ATOM 0 H ALA A 118 -4.096 -10.642 -6.058 1.00 0.00 H new ATOM 0 HA ALA A 118 -4.388 -8.941 -8.459 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -2.127 -9.768 -9.028 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -2.148 -8.925 -7.461 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -2.098 -10.703 -7.514 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.532 -12.211 -8.192 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.987 -13.424 -8.862 1.00 0.00 C ATOM 1922 C LEU A 119 -6.402 -13.248 -9.404 1.00 0.00 C ATOM 1923 O LEU A 119 -6.862 -14.032 -10.234 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.942 -14.611 -7.898 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.214 -14.866 -7.088 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.671 -13.591 -6.396 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -7.316 -15.414 -7.983 1.00 0.00 C ATOM 0 H LEU A 119 -4.242 -12.348 -7.224 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.318 -13.619 -9.700 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.713 -15.510 -8.470 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.117 -14.458 -7.203 1.00 0.00 H new ATOM 0 HG LEU A 119 -5.991 -15.610 -6.323 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.577 -13.792 -5.825 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -5.888 -13.241 -5.723 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -6.876 -12.825 -7.144 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -8.213 -15.589 -7.389 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -7.537 -14.694 -8.771 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -6.988 -16.352 -8.431 1.00 0.00 H new