USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 91 HIS : no HD1:sc= -8.09! C(o=-8.1!,f=-16!) USER MOD Set 1.2: A 94 MET CE :methyl -175:sc= -0.0043 (180deg=0) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 161:sc= -0.0295 (180deg=-0.265) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -157:sc= -0.0577 (180deg=-0.359) USER MOD Single : A 46 SER OG : rot -170:sc=-0.00274 USER MOD Single : A 49 CYS SG : rot 73:sc= -0.385 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) USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= -0.711 (180deg=-0.711) USER MOD Single : A 93 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 CYS SG : rot -101:sc= 0.547 USER MOD Single : A 101 THR OG1 : rot 110:sc= 0.991 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -145:sc= -0.158 (180deg=-0.896) USER MOD Single : A 107 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 111 MET CE :methyl 174:sc= -0.0362 (180deg=-0.0478) USER MOD Single : A 112 LYS NZ :NH3+ 163:sc= -0.0229 (180deg=-0.208) USER MOD Single : A 114 MET CE :methyl 146:sc= -1.2 (180deg=-2.47!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.383 -3.998 4.519 1.00 0.00 N ATOM 266 CA PRO A 20 -12.447 -4.436 5.559 1.00 0.00 C ATOM 267 C PRO A 20 -11.006 -4.479 5.062 1.00 0.00 C ATOM 268 O PRO A 20 -10.630 -5.368 4.297 1.00 0.00 O ATOM 269 CB PRO A 20 -12.936 -5.844 5.906 1.00 0.00 C ATOM 270 CG PRO A 20 -14.393 -5.827 5.596 1.00 0.00 C ATOM 271 CD PRO A 20 -14.590 -4.840 4.467 1.00 0.00 C ATOM 0 HA PRO A 20 -12.433 -3.753 6.409 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.415 -6.600 5.318 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.757 -6.077 6.956 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.738 -6.820 5.306 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.971 -5.532 6.472 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.683 -5.346 3.506 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.496 -4.249 4.606 1.00 0.00 H new ATOM 279 N VAL A 21 -10.204 -3.514 5.500 1.00 0.00 N ATOM 280 CA VAL A 21 -8.804 -3.444 5.101 1.00 0.00 C ATOM 281 C VAL A 21 -8.019 -4.636 5.635 1.00 0.00 C ATOM 282 O VAL A 21 -8.050 -4.929 6.830 1.00 0.00 O ATOM 283 CB VAL A 21 -8.143 -2.144 5.598 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.709 -2.050 5.101 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.950 -0.933 5.154 1.00 0.00 C ATOM 0 H VAL A 21 -10.500 -2.770 6.131 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.785 -3.460 4.011 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.124 -2.160 6.688 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.259 -1.125 5.462 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.138 -2.901 5.473 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.701 -2.056 4.011 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.469 -0.023 5.514 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.002 -0.910 4.066 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.958 -0.997 5.564 1.00 0.00 H new ATOM 295 N VAL A 22 -7.315 -5.323 4.740 1.00 0.00 N ATOM 296 CA VAL A 22 -6.519 -6.484 5.122 1.00 0.00 C ATOM 297 C VAL A 22 -5.329 -6.076 5.982 1.00 0.00 C ATOM 298 O VAL A 22 -5.162 -6.563 7.100 1.00 0.00 O ATOM 299 CB VAL A 22 -6.008 -7.245 3.884 1.00 0.00 C ATOM 300 CG1 VAL A 22 -5.152 -8.431 4.302 1.00 0.00 C ATOM 301 CG2 VAL A 22 -7.173 -7.697 3.018 1.00 0.00 C ATOM 0 H VAL A 22 -7.280 -5.096 3.746 1.00 0.00 H new ATOM 0 HA VAL A 22 -7.171 -7.140 5.699 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.388 -6.570 3.294 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.800 -8.956 3.414 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -4.296 -8.077 4.877 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.745 -9.110 4.914 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.793 -8.233 2.148 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.821 -8.356 3.595 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.741 -6.827 2.689 1.00 0.00 H new ATOM 311 N ARG A 23 -4.503 -5.178 5.453 1.00 0.00 N ATOM 312 CA ARG A 23 -3.327 -4.705 6.172 1.00 0.00 C ATOM 313 C ARG A 23 -2.768 -3.440 5.527 1.00 0.00 C ATOM 314 O ARG A 23 -2.775 -3.300 4.304 1.00 0.00 O ATOM 315 CB ARG A 23 -2.251 -5.792 6.206 1.00 0.00 C ATOM 316 CG ARG A 23 -0.976 -5.365 6.914 1.00 0.00 C ATOM 317 CD ARG A 23 -1.039 -5.664 8.403 1.00 0.00 C ATOM 318 NE ARG A 23 -1.910 -4.731 9.112 1.00 0.00 N ATOM 319 CZ ARG A 23 -2.116 -4.769 10.424 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.515 -5.689 11.166 1.00 0.00 N ATOM 321 NH2 ARG A 23 -2.923 -3.885 10.996 1.00 0.00 N ATOM 0 H ARG A 23 -4.627 -4.764 4.529 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.627 -4.470 7.193 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.654 -6.675 6.702 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -2.009 -6.084 5.184 1.00 0.00 H new ATOM 0 HG2 ARG A 23 -0.123 -5.882 6.474 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.814 -4.298 6.763 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -1.399 -6.682 8.553 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -0.035 -5.615 8.825 1.00 0.00 H new ATOM 0 HE ARG A 23 -2.387 -4.010 8.570 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -0.893 -6.370 10.730 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -1.675 -5.716 12.173 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -3.386 -3.175 10.428 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -3.080 -3.915 12.003 1.00 0.00 H new ATOM 335 N ARG A 24 -2.284 -2.522 6.357 1.00 0.00 N ATOM 336 CA ARG A 24 -1.722 -1.269 5.868 1.00 0.00 C ATOM 337 C ARG A 24 -0.420 -0.938 6.591 1.00 0.00 C ATOM 338 O ARG A 24 -0.366 -0.925 7.819 1.00 0.00 O ATOM 339 CB ARG A 24 -2.725 -0.129 6.054 1.00 0.00 C ATOM 340 CG ARG A 24 -3.415 -0.140 7.409 1.00 0.00 C ATOM 341 CD ARG A 24 -4.154 1.164 7.668 1.00 0.00 C ATOM 342 NE ARG A 24 -4.226 1.478 9.092 1.00 0.00 N ATOM 343 CZ ARG A 24 -4.970 0.799 9.958 1.00 0.00 C ATOM 344 NH1 ARG A 24 -5.701 -0.228 9.547 1.00 0.00 N ATOM 345 NH2 ARG A 24 -4.983 1.146 11.239 1.00 0.00 N ATOM 0 H ARG A 24 -2.270 -2.623 7.372 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.508 -1.386 4.806 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.209 0.822 5.926 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.480 -0.189 5.270 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -4.117 -0.973 7.454 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -2.676 -0.303 8.194 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.651 1.976 7.143 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -5.163 1.096 7.260 1.00 0.00 H new ATOM 0 HE ARG A 24 -3.675 2.262 9.441 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -5.693 -0.499 8.564 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.271 -0.748 10.214 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.421 1.935 11.559 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -5.555 0.624 11.903 1.00 0.00 H new ATOM 359 N GLY A 25 0.629 -0.672 5.817 1.00 0.00 N ATOM 360 CA GLY A 25 1.917 -0.345 6.401 1.00 0.00 C ATOM 361 C GLY A 25 2.810 0.419 5.444 1.00 0.00 C ATOM 362 O GLY A 25 2.467 0.601 4.276 1.00 0.00 O ATOM 0 H GLY A 25 0.609 -0.677 4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 25 1.764 0.249 7.302 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.418 -1.264 6.706 1.00 0.00 H new ATOM 366 N TRP A 26 3.958 0.868 5.939 1.00 0.00 N ATOM 367 CA TRP A 26 4.902 1.619 5.120 1.00 0.00 C ATOM 368 C TRP A 26 5.731 0.682 4.248 1.00 0.00 C ATOM 369 O TRP A 26 6.667 0.039 4.726 1.00 0.00 O ATOM 370 CB TRP A 26 5.823 2.459 6.006 1.00 0.00 C ATOM 371 CG TRP A 26 5.138 3.642 6.621 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.521 3.691 7.838 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.000 4.946 6.046 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.007 4.947 8.055 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.288 5.735 6.971 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.409 5.524 4.841 1.00 0.00 C ATOM 377 CZ2 TRP A 26 3.978 7.070 6.726 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.100 6.849 4.600 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.391 7.611 5.538 1.00 0.00 C ATOM 0 H TRP A 26 4.257 0.725 6.904 1.00 0.00 H new ATOM 0 HA TRP A 26 4.332 2.282 4.469 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.227 1.829 6.799 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.669 2.806 5.413 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.448 2.864 8.529 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.499 5.244 8.888 1.00 0.00 H new ATOM 0 HE3 TRP A 26 5.957 4.946 4.112 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.431 7.658 7.448 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.411 7.306 3.672 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.166 8.645 5.320 1.00 0.00 H new ATOM 390 N LEU A 27 5.382 0.608 2.968 1.00 0.00 N ATOM 391 CA LEU A 27 6.095 -0.251 2.029 1.00 0.00 C ATOM 392 C LEU A 27 7.043 0.565 1.157 1.00 0.00 C ATOM 393 O LEU A 27 6.841 1.762 0.953 1.00 0.00 O ATOM 394 CB LEU A 27 5.103 -1.013 1.150 1.00 0.00 C ATOM 395 CG LEU A 27 5.698 -2.096 0.249 1.00 0.00 C ATOM 396 CD1 LEU A 27 6.364 -3.178 1.084 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.623 -2.696 -0.646 1.00 0.00 C ATOM 0 H LEU A 27 4.610 1.132 2.557 1.00 0.00 H new ATOM 0 HA LEU A 27 6.684 -0.966 2.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 4.357 -1.476 1.796 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.578 -0.294 0.521 1.00 0.00 H new ATOM 0 HG LEU A 27 6.456 -1.637 -0.386 1.00 0.00 H new ATOM 0 HD11 LEU A 27 6.782 -3.940 0.426 1.00 0.00 H new ATOM 0 HD12 LEU A 27 7.162 -2.737 1.681 1.00 0.00 H new ATOM 0 HD13 LEU A 27 5.626 -3.634 1.744 1.00 0.00 H new ATOM 0 HD21 LEU A 27 5.065 -3.465 -1.280 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.842 -3.140 -0.029 1.00 0.00 H new ATOM 0 HD23 LEU A 27 4.192 -1.914 -1.271 1.00 0.00 H new ATOM 409 N TYR A 28 8.077 -0.091 0.642 1.00 0.00 N ATOM 410 CA TYR A 28 9.057 0.574 -0.209 1.00 0.00 C ATOM 411 C TYR A 28 8.851 0.197 -1.673 1.00 0.00 C ATOM 412 O TYR A 28 8.888 -0.979 -2.036 1.00 0.00 O ATOM 413 CB TYR A 28 10.476 0.207 0.228 1.00 0.00 C ATOM 414 CG TYR A 28 10.720 0.392 1.709 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.932 1.656 2.246 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.738 -0.698 2.571 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.155 1.829 3.598 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.960 -0.534 3.925 1.00 0.00 C ATOM 419 CZ TYR A 28 11.168 0.731 4.433 1.00 0.00 C ATOM 420 OH TYR A 28 11.390 0.900 5.781 1.00 0.00 O ATOM 0 H TYR A 28 8.258 -1.082 0.799 1.00 0.00 H new ATOM 0 HA TYR A 28 8.919 1.650 -0.106 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.672 -0.832 -0.037 1.00 0.00 H new ATOM 0 HB3 TYR A 28 11.188 0.817 -0.328 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.922 2.518 1.595 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.576 -1.690 2.176 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.318 2.818 3.999 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.971 -1.391 4.581 1.00 0.00 H new ATOM 0 HH TYR A 28 11.366 0.028 6.228 1.00 0.00 H new ATOM 430 N LYS A 29 8.635 1.205 -2.512 1.00 0.00 N ATOM 431 CA LYS A 29 8.425 0.984 -3.938 1.00 0.00 C ATOM 432 C LYS A 29 9.596 1.526 -4.751 1.00 0.00 C ATOM 433 O LYS A 29 10.240 2.497 -4.355 1.00 0.00 O ATOM 434 CB LYS A 29 7.123 1.648 -4.391 1.00 0.00 C ATOM 435 CG LYS A 29 6.962 1.702 -5.901 1.00 0.00 C ATOM 436 CD LYS A 29 5.504 1.857 -6.301 1.00 0.00 C ATOM 437 CE LYS A 29 5.026 3.290 -6.120 1.00 0.00 C ATOM 438 NZ LYS A 29 5.668 4.216 -7.093 1.00 0.00 N ATOM 0 H LYS A 29 8.601 2.184 -2.228 1.00 0.00 H new ATOM 0 HA LYS A 29 8.355 -0.090 -4.108 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.280 1.105 -3.963 1.00 0.00 H new ATOM 0 HB3 LYS A 29 7.084 2.662 -3.993 1.00 0.00 H new ATOM 0 HG2 LYS A 29 7.540 2.535 -6.300 1.00 0.00 H new ATOM 0 HG3 LYS A 29 7.367 0.792 -6.344 1.00 0.00 H new ATOM 0 HD2 LYS A 29 5.377 1.559 -7.342 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.888 1.188 -5.700 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.943 3.330 -6.241 1.00 0.00 H new ATOM 0 HE3 LYS A 29 5.246 3.621 -5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.106 5.088 -7.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 6.629 4.448 -6.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 5.718 3.759 -8.026 1.00 0.00 H new ATOM 571 N TRP A 38 14.424 3.372 -4.021 1.00 0.00 N ATOM 572 CA TRP A 38 13.239 3.042 -3.239 1.00 0.00 C ATOM 573 C TRP A 38 12.654 4.288 -2.584 1.00 0.00 C ATOM 574 O TRP A 38 13.380 5.095 -2.002 1.00 0.00 O ATOM 575 CB TRP A 38 13.581 2.002 -2.170 1.00 0.00 C ATOM 576 CG TRP A 38 14.334 0.823 -2.708 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.687 0.718 -2.867 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.777 -0.416 -3.160 1.00 0.00 C ATOM 579 NE1 TRP A 38 16.004 -0.512 -3.391 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.851 -1.227 -3.578 1.00 0.00 C ATOM 581 CE3 TRP A 38 12.477 -0.920 -3.249 1.00 0.00 C ATOM 582 CZ2 TRP A 38 14.661 -2.512 -4.079 1.00 0.00 C ATOM 583 CZ3 TRP A 38 12.290 -2.196 -3.746 1.00 0.00 C ATOM 584 CH2 TRP A 38 13.377 -2.981 -4.155 1.00 0.00 C ATOM 0 HA TRP A 38 12.493 2.626 -3.916 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.174 2.477 -1.388 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.659 1.654 -1.704 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.402 1.488 -2.618 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.946 -0.840 -3.606 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.633 -0.323 -2.935 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 15.497 -3.118 -4.397 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 11.289 -2.595 -3.821 1.00 0.00 H new ATOM 0 HH2 TRP A 38 13.198 -3.975 -4.537 1.00 0.00 H new ATOM 595 N LYS A 39 11.338 4.440 -2.681 1.00 0.00 N ATOM 596 CA LYS A 39 10.654 5.588 -2.097 1.00 0.00 C ATOM 597 C LYS A 39 9.727 5.152 -0.967 1.00 0.00 C ATOM 598 O LYS A 39 8.928 4.229 -1.126 1.00 0.00 O ATOM 599 CB LYS A 39 9.854 6.331 -3.169 1.00 0.00 C ATOM 600 CG LYS A 39 10.720 7.125 -4.133 1.00 0.00 C ATOM 601 CD LYS A 39 11.150 6.280 -5.320 1.00 0.00 C ATOM 602 CE LYS A 39 12.267 6.951 -6.106 1.00 0.00 C ATOM 603 NZ LYS A 39 11.769 8.114 -6.892 1.00 0.00 N ATOM 0 H LYS A 39 10.723 3.782 -3.159 1.00 0.00 H new ATOM 0 HA LYS A 39 11.409 6.258 -1.686 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.263 5.610 -3.734 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.152 7.008 -2.683 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.168 7.996 -4.486 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.602 7.496 -3.611 1.00 0.00 H new ATOM 0 HD2 LYS A 39 11.485 5.303 -4.971 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.295 6.108 -5.974 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.046 7.283 -5.419 1.00 0.00 H new ATOM 0 HE3 LYS A 39 12.724 6.226 -6.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.559 8.544 -7.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.044 7.793 -7.565 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.356 8.818 -6.247 1.00 0.00 H new ATOM 617 N LYS A 40 9.837 5.822 0.175 1.00 0.00 N ATOM 618 CA LYS A 40 9.007 5.507 1.332 1.00 0.00 C ATOM 619 C LYS A 40 7.642 6.179 1.221 1.00 0.00 C ATOM 620 O LYS A 40 7.550 7.401 1.100 1.00 0.00 O ATOM 621 CB LYS A 40 9.703 5.949 2.621 1.00 0.00 C ATOM 622 CG LYS A 40 8.809 5.885 3.847 1.00 0.00 C ATOM 623 CD LYS A 40 8.778 4.487 4.442 1.00 0.00 C ATOM 624 CE LYS A 40 8.553 4.526 5.945 1.00 0.00 C ATOM 625 NZ LYS A 40 9.720 5.105 6.666 1.00 0.00 N ATOM 0 H LYS A 40 10.494 6.588 0.324 1.00 0.00 H new ATOM 0 HA LYS A 40 8.859 4.427 1.359 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.578 5.320 2.786 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.064 6.970 2.498 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.166 6.592 4.596 1.00 0.00 H new ATOM 0 HG3 LYS A 40 7.798 6.189 3.577 1.00 0.00 H new ATOM 0 HD2 LYS A 40 7.985 3.907 3.969 1.00 0.00 H new ATOM 0 HD3 LYS A 40 9.717 3.978 4.227 1.00 0.00 H new ATOM 0 HE2 LYS A 40 7.662 5.115 6.164 1.00 0.00 H new ATOM 0 HE3 LYS A 40 8.365 3.516 6.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 9.718 4.774 7.652 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 10.600 4.803 6.201 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 9.659 6.143 6.649 1.00 0.00 H new ATOM 639 N ARG A 41 6.586 5.374 1.267 1.00 0.00 N ATOM 640 CA ARG A 41 5.226 5.892 1.173 1.00 0.00 C ATOM 641 C ARG A 41 4.260 5.033 1.983 1.00 0.00 C ATOM 642 O ARG A 41 4.602 3.928 2.406 1.00 0.00 O ATOM 643 CB ARG A 41 4.778 5.943 -0.289 1.00 0.00 C ATOM 644 CG ARG A 41 5.345 7.124 -1.059 1.00 0.00 C ATOM 645 CD ARG A 41 4.555 8.395 -0.790 1.00 0.00 C ATOM 646 NE ARG A 41 4.976 9.495 -1.655 1.00 0.00 N ATOM 647 CZ ARG A 41 4.574 9.635 -2.913 1.00 0.00 C ATOM 648 NH1 ARG A 41 3.746 8.751 -3.451 1.00 0.00 N ATOM 649 NH2 ARG A 41 5.002 10.663 -3.636 1.00 0.00 N ATOM 0 H ARG A 41 6.646 4.361 1.369 1.00 0.00 H new ATOM 0 HA ARG A 41 5.219 6.902 1.584 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.078 5.020 -0.784 1.00 0.00 H new ATOM 0 HB3 ARG A 41 3.689 5.985 -0.325 1.00 0.00 H new ATOM 0 HG2 ARG A 41 6.387 7.276 -0.779 1.00 0.00 H new ATOM 0 HG3 ARG A 41 5.331 6.904 -2.127 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.493 8.201 -0.942 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.680 8.686 0.253 1.00 0.00 H new ATOM 0 HE ARG A 41 5.613 10.193 -1.272 1.00 0.00 H new ATOM 0 HH11 ARG A 41 3.415 7.960 -2.899 1.00 0.00 H new ATOM 0 HH12 ARG A 41 3.439 8.862 -4.417 1.00 0.00 H new ATOM 0 HH21 ARG A 41 5.640 11.345 -3.225 1.00 0.00 H new ATOM 0 HH22 ARG A 41 4.693 10.771 -4.602 1.00 0.00 H new ATOM 663 N TRP A 42 3.054 5.547 2.194 1.00 0.00 N ATOM 664 CA TRP A 42 2.039 4.827 2.955 1.00 0.00 C ATOM 665 C TRP A 42 1.127 4.032 2.027 1.00 0.00 C ATOM 666 O TRP A 42 0.354 4.605 1.259 1.00 0.00 O ATOM 667 CB TRP A 42 1.210 5.804 3.791 1.00 0.00 C ATOM 668 CG TRP A 42 0.219 5.126 4.688 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.134 5.310 4.702 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.505 4.157 5.703 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.707 4.514 5.664 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.723 3.796 6.291 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.678 3.558 6.170 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.808 2.865 7.323 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.592 2.634 7.193 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.356 2.294 7.761 1.00 0.00 C ATOM 0 H TRP A 42 2.755 6.459 1.849 1.00 0.00 H new ATOM 0 HA TRP A 42 2.546 4.130 3.622 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.881 6.412 4.397 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.680 6.483 3.123 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.674 5.983 4.052 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.703 4.465 5.877 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.635 3.813 5.739 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.759 2.603 7.762 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.492 2.165 7.562 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.322 1.568 8.559 1.00 0.00 H new ATOM 687 N PHE A 43 1.221 2.709 2.104 1.00 0.00 N ATOM 688 CA PHE A 43 0.404 1.835 1.270 1.00 0.00 C ATOM 689 C PHE A 43 -0.724 1.205 2.083 1.00 0.00 C ATOM 690 O PHE A 43 -0.676 1.177 3.313 1.00 0.00 O ATOM 691 CB PHE A 43 1.268 0.739 0.643 1.00 0.00 C ATOM 692 CG PHE A 43 1.993 1.183 -0.596 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.231 1.799 -0.507 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.435 0.986 -1.849 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.900 2.209 -1.645 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.101 1.393 -2.990 1.00 0.00 C ATOM 697 CZ PHE A 43 3.334 2.006 -2.888 1.00 0.00 C ATOM 0 H PHE A 43 1.855 2.218 2.735 1.00 0.00 H new ATOM 0 HA PHE A 43 -0.037 2.440 0.477 1.00 0.00 H new ATOM 0 HB2 PHE A 43 1.997 0.397 1.378 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.637 -0.115 0.399 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.678 1.961 0.463 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.470 0.509 -1.935 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.865 2.688 -1.562 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.657 1.231 -3.961 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.855 2.326 -3.778 1.00 0.00 H new ATOM 707 N VAL A 44 -1.738 0.701 1.387 1.00 0.00 N ATOM 708 CA VAL A 44 -2.877 0.071 2.043 1.00 0.00 C ATOM 709 C VAL A 44 -3.504 -0.995 1.151 1.00 0.00 C ATOM 710 O VAL A 44 -3.711 -0.778 -0.043 1.00 0.00 O ATOM 711 CB VAL A 44 -3.952 1.108 2.418 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.196 0.418 2.958 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.403 2.102 3.430 1.00 0.00 C ATOM 0 H VAL A 44 -1.794 0.717 0.369 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.500 -0.396 2.953 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.232 1.656 1.518 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.944 1.167 3.217 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.600 -0.250 2.198 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.936 -0.158 3.846 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.176 2.827 3.684 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.094 1.571 4.330 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.545 2.621 3.002 1.00 0.00 H new ATOM 723 N LEU A 45 -3.806 -2.147 1.739 1.00 0.00 N ATOM 724 CA LEU A 45 -4.411 -3.249 0.998 1.00 0.00 C ATOM 725 C LEU A 45 -5.891 -3.386 1.340 1.00 0.00 C ATOM 726 O LEU A 45 -6.251 -3.966 2.364 1.00 0.00 O ATOM 727 CB LEU A 45 -3.681 -4.557 1.306 1.00 0.00 C ATOM 728 CG LEU A 45 -3.673 -5.600 0.187 1.00 0.00 C ATOM 729 CD1 LEU A 45 -5.000 -6.341 0.138 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.377 -4.942 -1.153 1.00 0.00 C ATOM 0 H LEU A 45 -3.642 -2.343 2.727 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.322 -3.032 -0.066 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.648 -4.322 1.564 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.136 -5.005 2.190 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.885 -6.323 0.396 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.975 -7.079 -0.664 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.171 -6.845 1.089 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.806 -5.631 -0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.375 -5.699 -1.937 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -4.142 -4.197 -1.369 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.401 -4.458 -1.113 1.00 0.00 H new ATOM 742 N SER A 46 -6.745 -2.851 0.473 1.00 0.00 N ATOM 743 CA SER A 46 -8.187 -2.913 0.684 1.00 0.00 C ATOM 744 C SER A 46 -8.929 -2.942 -0.649 1.00 0.00 C ATOM 745 O SER A 46 -8.505 -2.319 -1.622 1.00 0.00 O ATOM 746 CB SER A 46 -8.654 -1.716 1.515 1.00 0.00 C ATOM 747 OG SER A 46 -10.001 -1.875 1.926 1.00 0.00 O ATOM 0 H SER A 46 -6.464 -2.370 -0.381 1.00 0.00 H new ATOM 0 HA SER A 46 -8.412 -3.832 1.226 1.00 0.00 H new ATOM 0 HB2 SER A 46 -8.014 -1.605 2.390 1.00 0.00 H new ATOM 0 HB3 SER A 46 -8.555 -0.802 0.930 1.00 0.00 H new ATOM 0 HG SER A 46 -10.325 -1.037 2.317 1.00 0.00 H new ATOM 753 N ASP A 47 -10.040 -3.670 -0.684 1.00 0.00 N ATOM 754 CA ASP A 47 -10.844 -3.781 -1.896 1.00 0.00 C ATOM 755 C ASP A 47 -10.054 -4.459 -3.011 1.00 0.00 C ATOM 756 O ASP A 47 -10.144 -4.068 -4.176 1.00 0.00 O ATOM 757 CB ASP A 47 -11.310 -2.398 -2.352 1.00 0.00 C ATOM 758 CG ASP A 47 -12.511 -2.467 -3.275 1.00 0.00 C ATOM 759 OD1 ASP A 47 -12.333 -2.842 -4.453 1.00 0.00 O ATOM 760 OD2 ASP A 47 -13.628 -2.147 -2.819 1.00 0.00 O ATOM 0 H ASP A 47 -10.404 -4.192 0.113 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.717 -4.393 -1.670 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -11.561 -1.796 -1.479 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.491 -1.892 -2.863 1.00 0.00 H new ATOM 765 N LEU A 48 -9.280 -5.475 -2.647 1.00 0.00 N ATOM 766 CA LEU A 48 -8.473 -6.208 -3.617 1.00 0.00 C ATOM 767 C LEU A 48 -7.711 -5.249 -4.526 1.00 0.00 C ATOM 768 O LEU A 48 -7.433 -5.565 -5.684 1.00 0.00 O ATOM 769 CB LEU A 48 -9.361 -7.128 -4.457 1.00 0.00 C ATOM 770 CG LEU A 48 -10.138 -8.196 -3.687 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.088 -8.937 -4.615 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.182 -9.169 -3.012 1.00 0.00 C ATOM 0 H LEU A 48 -9.194 -5.810 -1.688 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.750 -6.812 -3.069 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -10.074 -6.511 -5.004 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.736 -7.626 -5.198 1.00 0.00 H new ATOM 0 HG LEU A 48 -10.728 -7.703 -2.914 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.633 -9.693 -4.050 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.795 -8.231 -5.051 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -10.518 -9.418 -5.410 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -9.753 -9.922 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -8.565 -9.656 -3.767 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.542 -8.627 -2.316 1.00 0.00 H new ATOM 784 N CYS A 49 -7.375 -4.079 -3.995 1.00 0.00 N ATOM 785 CA CYS A 49 -6.643 -3.074 -4.758 1.00 0.00 C ATOM 786 C CYS A 49 -5.570 -2.414 -3.899 1.00 0.00 C ATOM 787 O CYS A 49 -5.449 -2.702 -2.707 1.00 0.00 O ATOM 788 CB CYS A 49 -7.604 -2.015 -5.299 1.00 0.00 C ATOM 789 SG CYS A 49 -8.777 -2.639 -6.526 1.00 0.00 S ATOM 0 H CYS A 49 -7.598 -3.803 -3.039 1.00 0.00 H new ATOM 0 HA CYS A 49 -6.155 -3.573 -5.595 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.160 -1.585 -4.466 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.024 -1.207 -5.745 1.00 0.00 H new ATOM 0 HG CYS A 49 -9.672 -3.374 -5.936 1.00 0.00 H new ATOM 795 N LEU A 50 -4.792 -1.528 -4.511 1.00 0.00 N ATOM 796 CA LEU A 50 -3.727 -0.826 -3.802 1.00 0.00 C ATOM 797 C LEU A 50 -4.024 0.667 -3.713 1.00 0.00 C ATOM 798 O LEU A 50 -4.419 1.292 -4.698 1.00 0.00 O ATOM 799 CB LEU A 50 -2.387 -1.051 -4.504 1.00 0.00 C ATOM 800 CG LEU A 50 -1.591 -2.276 -4.055 1.00 0.00 C ATOM 801 CD1 LEU A 50 -0.349 -2.451 -4.915 1.00 0.00 C ATOM 802 CD2 LEU A 50 -1.211 -2.157 -2.586 1.00 0.00 C ATOM 0 H LEU A 50 -4.878 -1.278 -5.496 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.672 -1.227 -2.790 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.570 -1.135 -5.575 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.768 -0.166 -4.355 1.00 0.00 H new ATOM 0 HG LEU A 50 -2.220 -3.158 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.205 -3.328 -4.580 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.643 -2.583 -5.956 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.283 -1.567 -4.826 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.645 -3.038 -2.284 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.601 -1.266 -2.439 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -2.115 -2.082 -1.981 1.00 0.00 H new ATOM 814 N PHE A 51 -3.828 1.235 -2.528 1.00 0.00 N ATOM 815 CA PHE A 51 -4.074 2.655 -2.310 1.00 0.00 C ATOM 816 C PHE A 51 -3.032 3.249 -1.367 1.00 0.00 C ATOM 817 O PHE A 51 -2.697 2.656 -0.341 1.00 0.00 O ATOM 818 CB PHE A 51 -5.477 2.871 -1.739 1.00 0.00 C ATOM 819 CG PHE A 51 -6.574 2.401 -2.651 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.917 3.132 -3.777 1.00 0.00 C ATOM 821 CD2 PHE A 51 -7.262 1.229 -2.382 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.926 2.702 -4.619 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.271 0.794 -3.220 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.604 1.532 -4.339 1.00 0.00 C ATOM 0 H PHE A 51 -3.499 0.733 -1.703 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.999 3.162 -3.272 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.558 2.347 -0.787 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.617 3.932 -1.532 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.390 4.048 -4.000 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -7.007 0.649 -1.508 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.183 3.280 -5.494 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.799 -0.122 -3.000 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.394 1.195 -4.994 1.00 0.00 H new ATOM 834 N TYR A 52 -2.522 4.423 -1.722 1.00 0.00 N ATOM 835 CA TYR A 52 -1.516 5.097 -0.909 1.00 0.00 C ATOM 836 C TYR A 52 -1.802 6.592 -0.816 1.00 0.00 C ATOM 837 O TYR A 52 -2.550 7.144 -1.624 1.00 0.00 O ATOM 838 CB TYR A 52 -0.121 4.869 -1.495 1.00 0.00 C ATOM 839 CG TYR A 52 -0.051 5.076 -2.991 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.068 6.354 -3.537 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.030 3.994 -3.859 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.005 6.548 -4.903 1.00 0.00 C ATOM 843 CE2 TYR A 52 0.095 4.178 -5.227 1.00 0.00 C ATOM 844 CZ TYR A 52 0.077 5.457 -5.744 1.00 0.00 C ATOM 845 OH TYR A 52 0.139 5.645 -7.106 1.00 0.00 O ATOM 0 H TYR A 52 -2.789 4.928 -2.567 1.00 0.00 H new ATOM 0 HA TYR A 52 -1.555 4.675 0.095 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.583 5.545 -1.010 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.200 3.854 -1.262 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.132 7.210 -2.882 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.042 2.992 -3.457 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.020 7.548 -5.311 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.159 3.326 -5.887 1.00 0.00 H new ATOM 0 HH TYR A 52 0.194 4.775 -7.554 1.00 0.00 H new ATOM 855 N TYR A 53 -1.202 7.242 0.174 1.00 0.00 N ATOM 856 CA TYR A 53 -1.392 8.674 0.375 1.00 0.00 C ATOM 857 C TYR A 53 -0.088 9.343 0.798 1.00 0.00 C ATOM 858 O TYR A 53 0.893 8.671 1.114 1.00 0.00 O ATOM 859 CB TYR A 53 -2.472 8.922 1.430 1.00 0.00 C ATOM 860 CG TYR A 53 -3.546 7.859 1.459 1.00 0.00 C ATOM 861 CD1 TYR A 53 -3.248 6.551 1.821 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.861 8.163 1.125 1.00 0.00 C ATOM 863 CE1 TYR A 53 -4.227 5.577 1.848 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.846 7.195 1.151 1.00 0.00 C ATOM 865 CZ TYR A 53 -5.524 5.903 1.512 1.00 0.00 C ATOM 866 OH TYR A 53 -6.502 4.936 1.539 1.00 0.00 O ATOM 0 H TYR A 53 -0.579 6.800 0.851 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.711 9.109 -0.572 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -2.002 8.979 2.412 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.936 9.890 1.242 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -2.234 6.292 2.086 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -5.117 9.173 0.840 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.978 4.565 2.131 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.863 7.448 0.890 1.00 0.00 H new ATOM 0 HH TYR A 53 -7.360 5.331 1.277 1.00 0.00 H new ATOM 876 N ARG A 54 -0.087 10.672 0.802 1.00 0.00 N ATOM 877 CA ARG A 54 1.095 11.434 1.185 1.00 0.00 C ATOM 878 C ARG A 54 1.706 10.881 2.469 1.00 0.00 C ATOM 879 O ARG A 54 2.909 10.629 2.538 1.00 0.00 O ATOM 880 CB ARG A 54 0.739 12.910 1.372 1.00 0.00 C ATOM 881 CG ARG A 54 0.754 13.709 0.079 1.00 0.00 C ATOM 882 CD ARG A 54 2.128 14.300 -0.194 1.00 0.00 C ATOM 883 NE ARG A 54 2.128 15.160 -1.374 1.00 0.00 N ATOM 884 CZ ARG A 54 3.175 15.884 -1.756 1.00 0.00 C ATOM 885 NH1 ARG A 54 4.299 15.851 -1.054 1.00 0.00 N ATOM 886 NH2 ARG A 54 3.098 16.642 -2.842 1.00 0.00 N ATOM 0 H ARG A 54 -0.892 11.243 0.544 1.00 0.00 H new ATOM 0 HA ARG A 54 1.829 11.343 0.385 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -0.251 12.982 1.822 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.442 13.358 2.074 1.00 0.00 H new ATOM 0 HG2 ARG A 54 0.462 13.066 -0.751 1.00 0.00 H new ATOM 0 HG3 ARG A 54 0.017 14.510 0.136 1.00 0.00 H new ATOM 0 HD2 ARG A 54 2.455 14.874 0.673 1.00 0.00 H new ATOM 0 HD3 ARG A 54 2.849 13.494 -0.333 1.00 0.00 H new ATOM 0 HE ARG A 54 1.278 15.208 -1.936 1.00 0.00 H new ATOM 0 HH11 ARG A 54 4.362 15.269 -0.219 1.00 0.00 H new ATOM 0 HH12 ARG A 54 5.101 16.408 -1.349 1.00 0.00 H new ATOM 0 HH21 ARG A 54 2.235 16.670 -3.385 1.00 0.00 H new ATOM 0 HH22 ARG A 54 3.902 17.197 -3.134 1.00 0.00 H new ATOM 900 N ASP A 55 0.869 10.695 3.484 1.00 0.00 N ATOM 901 CA ASP A 55 1.326 10.171 4.766 1.00 0.00 C ATOM 902 C ASP A 55 0.230 9.351 5.439 1.00 0.00 C ATOM 903 O ASP A 55 -0.833 9.126 4.862 1.00 0.00 O ATOM 904 CB ASP A 55 1.761 11.315 5.683 1.00 0.00 C ATOM 905 CG ASP A 55 0.622 12.261 6.009 1.00 0.00 C ATOM 906 OD1 ASP A 55 -0.268 12.437 5.150 1.00 0.00 O ATOM 907 OD2 ASP A 55 0.619 12.824 7.123 1.00 0.00 O ATOM 0 H ASP A 55 -0.130 10.899 3.444 1.00 0.00 H new ATOM 0 HA ASP A 55 2.180 9.520 4.581 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.163 10.902 6.608 1.00 0.00 H new ATOM 0 HB3 ASP A 55 2.567 11.872 5.206 1.00 0.00 H new ATOM 912 N GLU A 56 0.498 8.906 6.663 1.00 0.00 N ATOM 913 CA GLU A 56 -0.466 8.110 7.414 1.00 0.00 C ATOM 914 C GLU A 56 -1.819 8.813 7.480 1.00 0.00 C ATOM 915 O GLU A 56 -2.868 8.171 7.430 1.00 0.00 O ATOM 916 CB GLU A 56 0.052 7.842 8.829 1.00 0.00 C ATOM 917 CG GLU A 56 0.561 9.087 9.536 1.00 0.00 C ATOM 918 CD GLU A 56 0.524 8.956 11.047 1.00 0.00 C ATOM 919 OE1 GLU A 56 1.384 8.239 11.600 1.00 0.00 O ATOM 920 OE2 GLU A 56 -0.363 9.570 11.675 1.00 0.00 O ATOM 0 H GLU A 56 1.374 9.083 7.155 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.595 7.160 6.896 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.748 7.399 9.422 1.00 0.00 H new ATOM 0 HB3 GLU A 56 0.856 7.108 8.780 1.00 0.00 H new ATOM 0 HG2 GLU A 56 1.584 9.289 9.217 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -0.042 9.944 9.234 1.00 0.00 H new ATOM 927 N LYS A 57 -1.786 10.136 7.594 1.00 0.00 N ATOM 928 CA LYS A 57 -3.008 10.928 7.667 1.00 0.00 C ATOM 929 C LYS A 57 -4.021 10.462 6.627 1.00 0.00 C ATOM 930 O LYS A 57 -5.230 10.568 6.834 1.00 0.00 O ATOM 931 CB LYS A 57 -2.692 12.411 7.458 1.00 0.00 C ATOM 932 CG LYS A 57 -2.035 13.068 8.659 1.00 0.00 C ATOM 933 CD LYS A 57 -3.063 13.504 9.689 1.00 0.00 C ATOM 934 CE LYS A 57 -2.400 14.048 10.945 1.00 0.00 C ATOM 935 NZ LYS A 57 -3.367 14.774 11.813 1.00 0.00 N ATOM 0 H LYS A 57 -0.926 10.683 7.638 1.00 0.00 H new ATOM 0 HA LYS A 57 -3.442 10.791 8.658 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -2.037 12.516 6.593 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.615 12.941 7.224 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.333 12.371 9.117 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -1.458 13.933 8.331 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -3.710 14.268 9.258 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -3.699 12.658 9.950 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.955 13.226 11.506 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -1.588 14.719 10.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -2.876 15.129 12.658 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.773 15.574 11.287 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.128 14.127 12.101 1.00 0.00 H new ATOM 949 N GLU A 58 -3.521 9.946 5.509 1.00 0.00 N ATOM 950 CA GLU A 58 -4.384 9.463 4.437 1.00 0.00 C ATOM 951 C GLU A 58 -5.241 10.595 3.878 1.00 0.00 C ATOM 952 O GLU A 58 -6.367 10.372 3.433 1.00 0.00 O ATOM 953 CB GLU A 58 -5.281 8.332 4.945 1.00 0.00 C ATOM 954 CG GLU A 58 -4.556 7.007 5.110 1.00 0.00 C ATOM 955 CD GLU A 58 -5.276 6.061 6.051 1.00 0.00 C ATOM 956 OE1 GLU A 58 -5.205 6.276 7.278 1.00 0.00 O ATOM 957 OE2 GLU A 58 -5.911 5.105 5.558 1.00 0.00 O ATOM 0 H GLU A 58 -2.523 9.852 5.322 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.749 9.082 3.637 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.711 8.623 5.904 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.111 8.198 4.251 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.449 6.532 4.135 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.550 7.192 5.486 1.00 0.00 H new ATOM 964 N GLU A 59 -4.699 11.808 3.905 1.00 0.00 N ATOM 965 CA GLU A 59 -5.415 12.975 3.401 1.00 0.00 C ATOM 966 C GLU A 59 -5.410 13.000 1.876 1.00 0.00 C ATOM 967 O GLU A 59 -4.483 13.520 1.255 1.00 0.00 O ATOM 968 CB GLU A 59 -4.788 14.260 3.946 1.00 0.00 C ATOM 969 CG GLU A 59 -5.378 14.711 5.271 1.00 0.00 C ATOM 970 CD GLU A 59 -6.894 14.707 5.266 1.00 0.00 C ATOM 971 OE1 GLU A 59 -7.489 15.671 4.742 1.00 0.00 O ATOM 972 OE2 GLU A 59 -7.485 13.738 5.787 1.00 0.00 O ATOM 0 H GLU A 59 -3.768 12.009 4.270 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.448 12.911 3.742 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.716 14.107 4.069 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.915 15.056 3.212 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.019 14.057 6.066 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -5.022 15.715 5.500 1.00 0.00 H new ATOM 979 N GLY A 60 -6.453 12.433 1.277 1.00 0.00 N ATOM 980 CA GLY A 60 -6.550 12.400 -0.171 1.00 0.00 C ATOM 981 C GLY A 60 -5.584 11.412 -0.794 1.00 0.00 C ATOM 982 O GLY A 60 -4.414 11.355 -0.416 1.00 0.00 O ATOM 0 H GLY A 60 -7.233 11.996 1.769 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.568 12.138 -0.458 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.353 13.396 -0.568 1.00 0.00 H new ATOM 986 N ILE A 61 -6.075 10.630 -1.750 1.00 0.00 N ATOM 987 CA ILE A 61 -5.248 9.639 -2.425 1.00 0.00 C ATOM 988 C ILE A 61 -4.495 10.258 -3.598 1.00 0.00 C ATOM 989 O ILE A 61 -5.081 10.953 -4.429 1.00 0.00 O ATOM 990 CB ILE A 61 -6.091 8.456 -2.938 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.613 7.626 -1.764 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.270 7.591 -3.882 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.647 6.597 -2.163 1.00 0.00 C ATOM 0 H ILE A 61 -7.042 10.664 -2.074 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.532 9.272 -1.689 1.00 0.00 H new ATOM 0 HB ILE A 61 -6.946 8.850 -3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -5.774 7.120 -1.286 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.046 8.295 -1.021 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -5.879 6.759 -4.236 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -4.943 8.189 -4.732 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.398 7.203 -3.355 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -7.972 6.046 -1.280 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.504 7.098 -2.614 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.212 5.904 -2.883 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.193 10.000 -3.661 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.359 10.531 -4.733 1.00 0.00 C ATOM 1007 C LEU A 62 -2.501 9.692 -5.999 1.00 0.00 C ATOM 1008 O LEU A 62 -2.326 10.192 -7.110 1.00 0.00 O ATOM 1009 CB LEU A 62 -0.894 10.568 -4.295 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.645 10.799 -2.804 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.843 10.961 -2.530 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.415 12.018 -2.317 1.00 0.00 C ATOM 0 H LEU A 62 -2.692 9.426 -2.982 1.00 0.00 H new ATOM 0 HA LEU A 62 -2.693 11.545 -4.951 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.427 9.625 -4.579 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.388 11.356 -4.854 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.001 9.927 -2.256 1.00 0.00 H new ATOM 0 HD11 LEU A 62 1.001 11.125 -1.464 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.370 10.059 -2.841 1.00 0.00 H new ATOM 0 HD13 LEU A 62 1.225 11.816 -3.089 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.226 12.167 -1.254 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.090 12.899 -2.870 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.482 11.862 -2.477 1.00 0.00 H new ATOM 1024 N GLY A 63 -2.823 8.414 -5.824 1.00 0.00 N ATOM 1025 CA GLY A 63 -2.986 7.527 -6.961 1.00 0.00 C ATOM 1026 C GLY A 63 -3.272 6.098 -6.545 1.00 0.00 C ATOM 1027 O GLY A 63 -2.668 5.586 -5.602 1.00 0.00 O ATOM 0 H GLY A 63 -2.974 7.977 -4.915 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -3.801 7.890 -7.587 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.082 7.551 -7.569 1.00 0.00 H new ATOM 1031 N SER A 64 -4.196 5.452 -7.249 1.00 0.00 N ATOM 1032 CA SER A 64 -4.565 4.074 -6.944 1.00 0.00 C ATOM 1033 C SER A 64 -3.900 3.106 -7.917 1.00 0.00 C ATOM 1034 O SER A 64 -3.586 3.467 -9.052 1.00 0.00 O ATOM 1035 CB SER A 64 -6.085 3.907 -6.999 1.00 0.00 C ATOM 1036 OG SER A 64 -6.592 4.268 -8.272 1.00 0.00 O ATOM 0 H SER A 64 -4.703 5.860 -8.034 1.00 0.00 H new ATOM 0 HA SER A 64 -4.218 3.845 -5.937 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.348 2.872 -6.779 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.550 4.525 -6.230 1.00 0.00 H new ATOM 0 HG SER A 64 -7.565 4.151 -8.282 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.688 1.875 -7.464 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.061 0.853 -8.294 1.00 0.00 C ATOM 1044 C ILE A 65 -3.872 -0.438 -8.282 1.00 0.00 C ATOM 1045 O ILE A 65 -4.126 -1.015 -7.224 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.626 0.550 -7.825 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.679 1.674 -8.249 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.157 -0.784 -8.386 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.683 1.595 -7.596 1.00 0.00 C ATOM 0 H ILE A 65 -3.941 1.561 -6.527 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.026 1.248 -9.309 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.621 0.487 -6.737 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.556 1.646 -9.332 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.135 2.634 -8.005 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.141 -0.985 -8.046 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.819 -1.577 -8.039 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.174 -0.747 -9.475 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.301 2.423 -7.943 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.571 1.654 -6.513 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.159 0.651 -7.861 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.274 -0.888 -9.466 1.00 0.00 N ATOM 1062 CA LEU A 66 -5.055 -2.114 -9.593 1.00 0.00 C ATOM 1063 C LEU A 66 -4.152 -3.342 -9.544 1.00 0.00 C ATOM 1064 O LEU A 66 -3.372 -3.590 -10.465 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.849 -2.102 -10.900 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.261 -1.520 -10.823 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.150 -2.392 -9.950 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.222 -0.095 -10.291 1.00 0.00 C ATOM 0 H LEU A 66 -4.072 -0.423 -10.351 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.749 -2.163 -8.754 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.284 -1.535 -11.640 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.919 -3.125 -11.268 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.681 -1.500 -11.829 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.151 -1.963 -9.907 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.204 -3.395 -10.373 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.734 -2.444 -8.944 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.235 0.303 -10.243 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.783 -0.091 -9.293 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.620 0.525 -10.955 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.264 -4.109 -8.466 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.459 -5.314 -8.297 1.00 0.00 C ATOM 1082 C LEU A 67 -3.885 -6.396 -9.285 1.00 0.00 C ATOM 1083 O LEU A 67 -3.058 -7.070 -9.900 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.583 -5.838 -6.865 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.573 -5.287 -5.859 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.839 -5.851 -4.472 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.152 -5.603 -6.302 1.00 0.00 C ATOM 0 H LEU A 67 -4.904 -3.918 -7.695 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.418 -5.056 -8.494 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.586 -5.613 -6.503 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.488 -6.924 -6.887 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.686 -4.204 -5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.110 -5.447 -3.769 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.843 -5.573 -4.153 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.754 -6.937 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.446 -5.203 -5.574 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -1.025 -6.683 -6.375 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.965 -5.149 -7.275 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.206 -6.566 -9.444 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.772 -7.562 -10.359 1.00 0.00 C ATOM 1101 C PRO A 68 -5.122 -7.518 -11.738 1.00 0.00 C ATOM 1102 O PRO A 68 -5.120 -8.511 -12.465 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.247 -7.164 -10.449 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.527 -6.455 -9.169 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.249 -5.798 -8.743 1.00 0.00 C ATOM 0 HA PRO A 68 -5.613 -8.580 -10.003 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.431 -6.518 -11.308 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.887 -8.039 -10.565 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.315 -5.714 -9.303 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.873 -7.155 -8.408 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.228 -4.745 -9.025 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.118 -5.841 -7.662 1.00 0.00 H new ATOM 1113 N SER A 69 -4.572 -6.361 -12.091 1.00 0.00 N ATOM 1114 CA SER A 69 -3.923 -6.186 -13.384 1.00 0.00 C ATOM 1115 C SER A 69 -2.429 -6.480 -13.286 1.00 0.00 C ATOM 1116 O SER A 69 -1.778 -6.790 -14.285 1.00 0.00 O ATOM 1117 CB SER A 69 -4.141 -4.763 -13.901 1.00 0.00 C ATOM 1118 OG SER A 69 -5.469 -4.587 -14.365 1.00 0.00 O ATOM 0 H SER A 69 -4.563 -5.530 -11.499 1.00 0.00 H new ATOM 0 HA SER A 69 -4.370 -6.891 -14.085 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.933 -4.048 -13.105 1.00 0.00 H new ATOM 0 HB3 SER A 69 -3.439 -4.555 -14.709 1.00 0.00 H new ATOM 0 HG SER A 69 -5.584 -3.669 -14.689 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.891 -6.379 -12.075 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.473 -6.633 -11.845 1.00 0.00 C ATOM 1126 C PHE A 70 -0.214 -8.122 -11.635 1.00 0.00 C ATOM 1127 O PHE A 70 -1.095 -8.859 -11.193 1.00 0.00 O ATOM 1128 CB PHE A 70 0.017 -5.842 -10.630 1.00 0.00 C ATOM 1129 CG PHE A 70 0.559 -4.485 -10.977 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.783 -4.355 -11.613 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.156 -3.339 -10.668 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.284 -3.107 -11.933 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.339 -2.088 -10.986 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.561 -1.972 -11.620 1.00 0.00 C ATOM 0 H PHE A 70 -2.415 -6.123 -11.238 1.00 0.00 H new ATOM 0 HA PHE A 70 0.077 -6.308 -12.728 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.807 -5.726 -9.926 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.793 -6.415 -10.122 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.352 -5.239 -11.862 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.112 -3.424 -10.173 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.240 -3.019 -12.427 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.229 -1.203 -10.739 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.950 -0.996 -11.870 1.00 0.00 H new ATOM 1144 N GLN A 71 1.001 -8.556 -11.956 1.00 0.00 N ATOM 1145 CA GLN A 71 1.376 -9.956 -11.804 1.00 0.00 C ATOM 1146 C GLN A 71 2.482 -10.114 -10.767 1.00 0.00 C ATOM 1147 O GLN A 71 3.632 -9.747 -11.011 1.00 0.00 O ATOM 1148 CB GLN A 71 1.832 -10.533 -13.146 1.00 0.00 C ATOM 1149 CG GLN A 71 2.840 -11.663 -13.011 1.00 0.00 C ATOM 1150 CD GLN A 71 2.926 -12.519 -14.259 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.364 -13.614 -14.314 1.00 0.00 O ATOM 1152 NE2 GLN A 71 3.631 -12.025 -15.270 1.00 0.00 N ATOM 0 H GLN A 71 1.742 -7.958 -12.323 1.00 0.00 H new ATOM 0 HA GLN A 71 0.500 -10.505 -11.460 1.00 0.00 H new ATOM 0 HB2 GLN A 71 0.961 -10.897 -13.690 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.271 -9.735 -13.745 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.823 -11.244 -12.793 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.566 -12.290 -12.163 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.080 -11.113 -15.181 1.00 0.00 H new ATOM 0 HE22 GLN A 71 3.723 -12.557 -16.135 1.00 0.00 H new ATOM 1161 N ILE A 72 2.128 -10.662 -9.609 1.00 0.00 N ATOM 1162 CA ILE A 72 3.091 -10.869 -8.536 1.00 0.00 C ATOM 1163 C ILE A 72 3.921 -12.126 -8.776 1.00 0.00 C ATOM 1164 O ILE A 72 3.386 -13.232 -8.837 1.00 0.00 O ATOM 1165 CB ILE A 72 2.394 -10.982 -7.167 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.192 -10.036 -7.103 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.375 -10.676 -6.045 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.543 -8.593 -7.393 1.00 0.00 C ATOM 0 H ILE A 72 1.181 -10.970 -9.391 1.00 0.00 H new ATOM 0 HA ILE A 72 3.747 -9.999 -8.530 1.00 0.00 H new ATOM 0 HB ILE A 72 2.037 -12.004 -7.042 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.439 -10.369 -7.817 1.00 0.00 H new ATOM 0 HG13 ILE A 72 0.742 -10.100 -6.112 1.00 0.00 H new ATOM 0 HG21 ILE A 72 2.867 -10.760 -5.084 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.202 -11.385 -6.081 1.00 0.00 H new ATOM 0 HG23 ILE A 72 3.760 -9.663 -6.164 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.644 -7.980 -7.330 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.273 -8.242 -6.663 1.00 0.00 H new ATOM 0 HD13 ILE A 72 1.966 -8.516 -8.395 1.00 0.00 H new ATOM 1180 N ALA A 73 5.231 -11.946 -8.910 1.00 0.00 N ATOM 1181 CA ALA A 73 6.135 -13.066 -9.139 1.00 0.00 C ATOM 1182 C ALA A 73 7.510 -12.793 -8.538 1.00 0.00 C ATOM 1183 O ALA A 73 7.998 -11.663 -8.566 1.00 0.00 O ATOM 1184 CB ALA A 73 6.255 -13.351 -10.629 1.00 0.00 C ATOM 0 H ALA A 73 5.689 -11.036 -8.864 1.00 0.00 H new ATOM 0 HA ALA A 73 5.719 -13.944 -8.645 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.933 -14.190 -10.786 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.273 -13.598 -11.032 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.645 -12.469 -11.138 1.00 0.00 H new ATOM 1190 N LEU A 74 8.130 -13.835 -7.995 1.00 0.00 N ATOM 1191 CA LEU A 74 9.450 -13.707 -7.386 1.00 0.00 C ATOM 1192 C LEU A 74 10.480 -13.244 -8.411 1.00 0.00 C ATOM 1193 O LEU A 74 10.500 -13.721 -9.547 1.00 0.00 O ATOM 1194 CB LEU A 74 9.883 -15.042 -6.778 1.00 0.00 C ATOM 1195 CG LEU A 74 9.455 -15.291 -5.331 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.372 -14.551 -4.369 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.008 -14.870 -5.123 1.00 0.00 C ATOM 0 H LEU A 74 7.741 -14.777 -7.964 1.00 0.00 H new ATOM 0 HA LEU A 74 9.388 -12.958 -6.597 1.00 0.00 H new ATOM 0 HB2 LEU A 74 9.485 -15.846 -7.397 1.00 0.00 H new ATOM 0 HB3 LEU A 74 10.970 -15.107 -6.831 1.00 0.00 H new ATOM 0 HG LEU A 74 9.534 -16.359 -5.127 1.00 0.00 H new ATOM 0 HD11 LEU A 74 10.053 -14.740 -3.344 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.396 -14.901 -4.500 1.00 0.00 H new ATOM 0 HD13 LEU A 74 10.326 -13.481 -4.572 1.00 0.00 H new ATOM 0 HD21 LEU A 74 7.721 -15.054 -4.088 1.00 0.00 H new ATOM 0 HD22 LEU A 74 7.902 -13.808 -5.345 1.00 0.00 H new ATOM 0 HD23 LEU A 74 7.363 -15.445 -5.787 1.00 0.00 H new ATOM 1209 N LEU A 75 11.336 -12.314 -8.003 1.00 0.00 N ATOM 1210 CA LEU A 75 12.372 -11.787 -8.885 1.00 0.00 C ATOM 1211 C LEU A 75 13.140 -12.919 -9.559 1.00 0.00 C ATOM 1212 O LEU A 75 13.129 -14.058 -9.090 1.00 0.00 O ATOM 1213 CB LEU A 75 13.336 -10.898 -8.097 1.00 0.00 C ATOM 1214 CG LEU A 75 12.696 -9.795 -7.254 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.744 -9.099 -6.401 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.979 -8.791 -8.146 1.00 0.00 C ATOM 0 H LEU A 75 11.333 -11.909 -7.067 1.00 0.00 H new ATOM 0 HA LEU A 75 11.888 -11.191 -9.659 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.928 -11.533 -7.438 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.028 -10.435 -8.800 1.00 0.00 H new ATOM 0 HG LEU A 75 11.962 -10.251 -6.590 1.00 0.00 H new ATOM 0 HD11 LEU A 75 13.270 -8.317 -5.808 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.213 -9.825 -5.736 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.502 -8.655 -7.046 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.529 -8.013 -7.529 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.694 -8.341 -8.835 1.00 0.00 H new ATOM 0 HD23 LEU A 75 11.200 -9.300 -8.714 1.00 0.00 H new ATOM 1377 N TYR A 85 14.819 -10.596 -0.738 1.00 0.00 N ATOM 1378 CA TYR A 85 13.526 -10.670 -0.068 1.00 0.00 C ATOM 1379 C TYR A 85 12.555 -9.643 -0.641 1.00 0.00 C ATOM 1380 O TYR A 85 11.844 -8.964 0.099 1.00 0.00 O ATOM 1381 CB TYR A 85 13.694 -10.446 1.436 1.00 0.00 C ATOM 1382 CG TYR A 85 14.260 -11.643 2.167 1.00 0.00 C ATOM 1383 CD1 TYR A 85 15.329 -12.359 1.644 1.00 0.00 C ATOM 1384 CD2 TYR A 85 13.724 -12.057 3.380 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.849 -13.453 2.308 1.00 0.00 C ATOM 1386 CE2 TYR A 85 14.238 -13.149 4.052 1.00 0.00 C ATOM 1387 CZ TYR A 85 15.300 -13.844 3.512 1.00 0.00 C ATOM 1388 OH TYR A 85 15.814 -14.934 4.177 1.00 0.00 O ATOM 0 HA TYR A 85 13.115 -11.665 -0.237 1.00 0.00 H new ATOM 0 HB2 TYR A 85 14.349 -9.590 1.596 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.726 -10.192 1.867 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.761 -12.055 0.702 1.00 0.00 H new ATOM 0 HD2 TYR A 85 12.891 -11.516 3.805 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.680 -13.999 1.887 1.00 0.00 H new ATOM 0 HE2 TYR A 85 13.811 -13.457 4.995 1.00 0.00 H new ATOM 0 HH TYR A 85 15.315 -15.075 5.009 1.00 0.00 H new ATOM 1398 N ALA A 86 12.530 -9.536 -1.966 1.00 0.00 N ATOM 1399 CA ALA A 86 11.645 -8.595 -2.640 1.00 0.00 C ATOM 1400 C ALA A 86 10.990 -9.234 -3.860 1.00 0.00 C ATOM 1401 O ALA A 86 11.481 -10.232 -4.389 1.00 0.00 O ATOM 1402 CB ALA A 86 12.414 -7.346 -3.046 1.00 0.00 C ATOM 0 H ALA A 86 13.113 -10.090 -2.593 1.00 0.00 H new ATOM 0 HA ALA A 86 10.856 -8.313 -1.942 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.741 -6.651 -3.549 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.830 -6.870 -2.158 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.223 -7.621 -3.723 1.00 0.00 H new ATOM 1408 N PHE A 87 9.878 -8.655 -4.300 1.00 0.00 N ATOM 1409 CA PHE A 87 9.154 -9.170 -5.457 1.00 0.00 C ATOM 1410 C PHE A 87 8.908 -8.065 -6.480 1.00 0.00 C ATOM 1411 O PHE A 87 9.255 -6.906 -6.255 1.00 0.00 O ATOM 1412 CB PHE A 87 7.821 -9.782 -5.020 1.00 0.00 C ATOM 1413 CG PHE A 87 7.151 -9.026 -3.908 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.668 -9.056 -2.623 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.004 -8.288 -4.148 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.053 -8.362 -1.597 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.385 -7.591 -3.127 1.00 0.00 C ATOM 1418 CZ PHE A 87 5.910 -7.629 -1.850 1.00 0.00 C ATOM 0 H PHE A 87 9.458 -7.829 -3.873 1.00 0.00 H new ATOM 0 HA PHE A 87 9.765 -9.943 -5.923 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.150 -9.822 -5.878 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.990 -10.810 -4.700 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.561 -9.628 -2.420 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.588 -8.257 -5.144 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.466 -8.393 -0.599 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.492 -7.018 -3.328 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.427 -7.086 -1.051 1.00 0.00 H new ATOM 1428 N LYS A 88 8.308 -8.434 -7.607 1.00 0.00 N ATOM 1429 CA LYS A 88 8.014 -7.477 -8.666 1.00 0.00 C ATOM 1430 C LYS A 88 6.616 -7.704 -9.232 1.00 0.00 C ATOM 1431 O LYS A 88 6.098 -8.819 -9.203 1.00 0.00 O ATOM 1432 CB LYS A 88 9.052 -7.588 -9.785 1.00 0.00 C ATOM 1433 CG LYS A 88 8.996 -8.905 -10.539 1.00 0.00 C ATOM 1434 CD LYS A 88 9.487 -8.751 -11.968 1.00 0.00 C ATOM 1435 CE LYS A 88 8.805 -9.739 -12.902 1.00 0.00 C ATOM 1436 NZ LYS A 88 7.544 -9.185 -13.470 1.00 0.00 N ATOM 0 H LYS A 88 8.016 -9.390 -7.810 1.00 0.00 H new ATOM 0 HA LYS A 88 8.056 -6.476 -8.238 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.903 -6.769 -10.489 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.048 -7.465 -9.359 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.605 -9.647 -10.022 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.972 -9.279 -10.543 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.297 -7.734 -12.311 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.566 -8.903 -12.001 1.00 0.00 H new ATOM 0 HE2 LYS A 88 9.485 -10.001 -13.713 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.586 -10.659 -12.360 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.109 -9.888 -14.101 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 6.885 -8.959 -12.698 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 7.756 -8.321 -14.008 1.00 0.00 H new ATOM 1450 N ALA A 89 6.011 -6.639 -9.748 1.00 0.00 N ATOM 1451 CA ALA A 89 4.675 -6.723 -10.324 1.00 0.00 C ATOM 1452 C ALA A 89 4.674 -6.267 -11.779 1.00 0.00 C ATOM 1453 O ALA A 89 5.057 -5.138 -12.086 1.00 0.00 O ATOM 1454 CB ALA A 89 3.695 -5.893 -9.508 1.00 0.00 C ATOM 0 H ALA A 89 6.426 -5.708 -9.779 1.00 0.00 H new ATOM 0 HA ALA A 89 4.360 -7.766 -10.298 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.701 -5.965 -9.950 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.665 -6.267 -8.485 1.00 0.00 H new ATOM 0 HB3 ALA A 89 4.016 -4.851 -9.504 1.00 0.00 H new ATOM 1460 N ALA A 90 4.241 -7.151 -12.672 1.00 0.00 N ATOM 1461 CA ALA A 90 4.190 -6.838 -14.094 1.00 0.00 C ATOM 1462 C ALA A 90 2.810 -6.326 -14.494 1.00 0.00 C ATOM 1463 O ALA A 90 1.791 -6.809 -14.000 1.00 0.00 O ATOM 1464 CB ALA A 90 4.560 -8.063 -14.918 1.00 0.00 C ATOM 0 H ALA A 90 3.920 -8.090 -12.435 1.00 0.00 H new ATOM 0 HA ALA A 90 4.914 -6.048 -14.293 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.518 -7.815 -15.978 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.569 -8.383 -14.660 1.00 0.00 H new ATOM 0 HB3 ALA A 90 3.858 -8.870 -14.706 1.00 0.00 H new ATOM 1470 N HIS A 91 2.785 -5.346 -15.391 1.00 0.00 N ATOM 1471 CA HIS A 91 1.530 -4.768 -15.857 1.00 0.00 C ATOM 1472 C HIS A 91 1.535 -4.609 -17.375 1.00 0.00 C ATOM 1473 O HIS A 91 2.541 -4.238 -17.981 1.00 0.00 O ATOM 1474 CB HIS A 91 1.289 -3.413 -15.191 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.154 -3.012 -15.152 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.793 -2.400 -16.209 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.082 -3.142 -14.176 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.053 -2.168 -15.884 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.254 -2.609 -14.655 1.00 0.00 N ATOM 0 H HIS A 91 3.620 -4.935 -15.810 1.00 0.00 H new ATOM 0 HA HIS A 91 0.723 -5.447 -15.583 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.676 -3.444 -14.173 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.855 -2.650 -15.724 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.930 -3.583 -13.202 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.792 -1.698 -16.516 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.136 -2.561 -14.145 1.00 0.00 H new ATOM 1488 N PRO A 92 0.386 -4.895 -18.005 1.00 0.00 N ATOM 1489 CA PRO A 92 0.233 -4.791 -19.459 1.00 0.00 C ATOM 1490 C PRO A 92 0.134 -3.344 -19.929 1.00 0.00 C ATOM 1491 O PRO A 92 0.823 -2.937 -20.863 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.077 -5.533 -19.732 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.860 -5.395 -18.472 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.852 -5.343 -17.346 1.00 0.00 C ATOM 0 HA PRO A 92 1.091 -5.204 -19.990 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.609 -5.099 -20.578 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.896 -6.581 -19.973 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.469 -4.491 -18.490 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.542 -6.236 -18.344 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.162 -4.651 -16.563 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.725 -6.319 -16.877 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.727 -2.572 -19.275 1.00 0.00 N ATOM 1503 CA ASN A 93 -0.916 -1.170 -19.627 1.00 0.00 C ATOM 1504 C ASN A 93 0.018 -0.275 -18.818 1.00 0.00 C ATOM 1505 O ASN A 93 -0.120 0.948 -18.822 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.370 -0.754 -19.391 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.247 -1.004 -20.603 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -3.485 -0.103 -21.408 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -3.732 -2.233 -20.739 1.00 0.00 N ATOM 0 H ASN A 93 -1.305 -2.894 -18.498 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.678 -1.052 -20.684 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.768 -1.304 -18.538 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.405 0.304 -19.133 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -4.328 -2.461 -21.535 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -3.509 -2.949 -20.047 1.00 0.00 H new ATOM 1516 N MET A 94 0.968 -0.894 -18.126 1.00 0.00 N ATOM 1517 CA MET A 94 1.926 -0.153 -17.313 1.00 0.00 C ATOM 1518 C MET A 94 3.274 -0.866 -17.278 1.00 0.00 C ATOM 1519 O MET A 94 3.469 -1.880 -17.949 1.00 0.00 O ATOM 1520 CB MET A 94 1.392 0.023 -15.890 1.00 0.00 C ATOM 1521 CG MET A 94 0.505 1.246 -15.721 1.00 0.00 C ATOM 1522 SD MET A 94 0.317 1.734 -13.996 1.00 0.00 S ATOM 1523 CE MET A 94 -0.728 0.414 -13.383 1.00 0.00 C ATOM 0 H MET A 94 1.095 -1.906 -18.111 1.00 0.00 H new ATOM 0 HA MET A 94 2.065 0.829 -17.765 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.828 -0.866 -15.610 1.00 0.00 H new ATOM 0 HB3 MET A 94 2.234 0.097 -15.201 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.927 2.077 -16.286 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.477 1.039 -16.145 1.00 0.00 H new ATOM 0 HE1 MET A 94 -1.007 0.621 -12.350 1.00 0.00 H new ATOM 0 HE2 MET A 94 -1.627 0.348 -13.995 1.00 0.00 H new ATOM 0 HE3 MET A 94 -0.186 -0.531 -13.430 1.00 0.00 H new ATOM 1533 N ARG A 95 4.202 -0.329 -16.493 1.00 0.00 N ATOM 1534 CA ARG A 95 5.533 -0.913 -16.372 1.00 0.00 C ATOM 1535 C ARG A 95 5.580 -1.927 -15.233 1.00 0.00 C ATOM 1536 O ARG A 95 4.566 -2.205 -14.592 1.00 0.00 O ATOM 1537 CB ARG A 95 6.574 0.182 -16.137 1.00 0.00 C ATOM 1538 CG ARG A 95 6.219 1.127 -15.000 1.00 0.00 C ATOM 1539 CD ARG A 95 7.349 2.104 -14.715 1.00 0.00 C ATOM 1540 NE ARG A 95 7.245 3.313 -15.527 1.00 0.00 N ATOM 1541 CZ ARG A 95 7.716 3.410 -16.765 1.00 0.00 C ATOM 1542 NH1 ARG A 95 8.320 2.374 -17.331 1.00 0.00 N ATOM 1543 NH2 ARG A 95 7.583 4.544 -17.440 1.00 0.00 N ATOM 0 H ARG A 95 4.057 0.510 -15.931 1.00 0.00 H new ATOM 0 HA ARG A 95 5.762 -1.429 -17.305 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.536 -0.283 -15.924 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.695 0.759 -17.054 1.00 0.00 H new ATOM 0 HG2 ARG A 95 5.314 1.679 -15.253 1.00 0.00 H new ATOM 0 HG3 ARG A 95 5.999 0.551 -14.101 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.337 2.374 -13.659 1.00 0.00 H new ATOM 0 HD3 ARG A 95 8.305 1.618 -14.909 1.00 0.00 H new ATOM 0 HE ARG A 95 6.785 4.128 -15.121 1.00 0.00 H new ATOM 0 HH11 ARG A 95 8.424 1.500 -16.815 1.00 0.00 H new ATOM 0 HH12 ARG A 95 8.681 2.451 -18.282 1.00 0.00 H new ATOM 0 HH21 ARG A 95 7.119 5.343 -17.008 1.00 0.00 H new ATOM 0 HH22 ARG A 95 7.945 4.617 -18.391 1.00 0.00 H new ATOM 1557 N THR A 96 6.764 -2.479 -14.987 1.00 0.00 N ATOM 1558 CA THR A 96 6.944 -3.463 -13.928 1.00 0.00 C ATOM 1559 C THR A 96 7.367 -2.796 -12.624 1.00 0.00 C ATOM 1560 O THR A 96 8.399 -2.127 -12.564 1.00 0.00 O ATOM 1561 CB THR A 96 7.995 -4.520 -14.315 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.626 -5.150 -15.547 1.00 0.00 O ATOM 1563 CG2 THR A 96 8.134 -5.571 -13.224 1.00 0.00 C ATOM 0 H THR A 96 7.613 -2.261 -15.508 1.00 0.00 H new ATOM 0 HA THR A 96 5.981 -3.954 -13.787 1.00 0.00 H new ATOM 0 HB THR A 96 8.955 -4.018 -14.437 1.00 0.00 H new ATOM 0 HG1 THR A 96 8.300 -5.819 -15.787 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.882 -6.306 -13.520 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.444 -5.092 -12.295 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.176 -6.068 -13.074 1.00 0.00 H new ATOM 1571 N TYR A 97 6.565 -2.984 -11.581 1.00 0.00 N ATOM 1572 CA TYR A 97 6.856 -2.399 -10.278 1.00 0.00 C ATOM 1573 C TYR A 97 7.731 -3.331 -9.446 1.00 0.00 C ATOM 1574 O TYR A 97 7.981 -4.474 -9.829 1.00 0.00 O ATOM 1575 CB TYR A 97 5.556 -2.098 -9.529 1.00 0.00 C ATOM 1576 CG TYR A 97 4.851 -0.853 -10.018 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.707 -0.599 -11.376 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.328 0.070 -9.120 1.00 0.00 C ATOM 1579 CE1 TYR A 97 4.064 0.537 -11.826 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.682 1.209 -9.561 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.553 1.438 -10.915 1.00 0.00 C ATOM 1582 OH TYR A 97 2.910 2.571 -11.360 1.00 0.00 O ATOM 0 H TYR A 97 5.709 -3.537 -11.613 1.00 0.00 H new ATOM 0 HA TYR A 97 7.399 -1.468 -10.439 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.883 -2.950 -9.629 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.775 -1.988 -8.467 1.00 0.00 H new ATOM 0 HD1 TYR A 97 5.105 -1.302 -12.092 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.428 -0.106 -8.059 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.962 0.719 -12.886 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.281 1.916 -8.850 1.00 0.00 H new ATOM 0 HH TYR A 97 2.609 3.099 -10.592 1.00 0.00 H new ATOM 1592 N TYR A 98 8.194 -2.834 -8.304 1.00 0.00 N ATOM 1593 CA TYR A 98 9.043 -3.620 -7.417 1.00 0.00 C ATOM 1594 C TYR A 98 8.784 -3.262 -5.956 1.00 0.00 C ATOM 1595 O TYR A 98 8.792 -2.089 -5.582 1.00 0.00 O ATOM 1596 CB TYR A 98 10.517 -3.395 -7.755 1.00 0.00 C ATOM 1597 CG TYR A 98 10.955 -4.072 -9.035 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.595 -3.557 -10.274 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.727 -5.227 -9.004 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.992 -4.173 -11.446 1.00 0.00 C ATOM 1601 CE2 TYR A 98 12.129 -5.848 -10.170 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.759 -5.317 -11.389 1.00 0.00 C ATOM 1603 OH TYR A 98 12.157 -5.934 -12.553 1.00 0.00 O ATOM 0 H TYR A 98 7.995 -1.891 -7.971 1.00 0.00 H new ATOM 0 HA TYR A 98 8.801 -4.673 -7.563 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.703 -2.324 -7.838 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.130 -3.762 -6.932 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.995 -2.660 -10.322 1.00 0.00 H new ATOM 0 HD2 TYR A 98 12.017 -5.646 -8.052 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.703 -3.760 -12.401 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.730 -6.745 -10.128 1.00 0.00 H new ATOM 0 HH TYR A 98 12.692 -6.726 -12.337 1.00 0.00 H new ATOM 1613 N PHE A 99 8.556 -4.281 -5.135 1.00 0.00 N ATOM 1614 CA PHE A 99 8.295 -4.075 -3.715 1.00 0.00 C ATOM 1615 C PHE A 99 9.192 -4.968 -2.862 1.00 0.00 C ATOM 1616 O PHE A 99 9.329 -6.163 -3.127 1.00 0.00 O ATOM 1617 CB PHE A 99 6.825 -4.359 -3.399 1.00 0.00 C ATOM 1618 CG PHE A 99 5.872 -3.760 -4.393 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.487 -2.433 -4.292 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.360 -4.525 -5.429 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.611 -1.879 -5.206 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.483 -3.977 -6.346 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.107 -2.653 -6.234 1.00 0.00 C ATOM 0 H PHE A 99 8.547 -5.258 -5.428 1.00 0.00 H new ATOM 0 HA PHE A 99 8.516 -3.035 -3.477 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.671 -5.437 -3.364 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.594 -3.972 -2.407 1.00 0.00 H new ATOM 0 HD1 PHE A 99 5.876 -1.824 -3.489 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.650 -5.561 -5.521 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.321 -0.843 -5.117 1.00 0.00 H new ATOM 0 HE2 PHE A 99 4.092 -4.584 -7.149 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.420 -2.223 -6.948 1.00 0.00 H new ATOM 1633 N CYS A 100 9.800 -4.379 -1.838 1.00 0.00 N ATOM 1634 CA CYS A 100 10.685 -5.120 -0.947 1.00 0.00 C ATOM 1635 C CYS A 100 10.409 -4.766 0.511 1.00 0.00 C ATOM 1636 O CYS A 100 9.874 -3.698 0.812 1.00 0.00 O ATOM 1637 CB CYS A 100 12.147 -4.827 -1.287 1.00 0.00 C ATOM 1638 SG CYS A 100 12.810 -3.348 -0.485 1.00 0.00 S ATOM 0 H CYS A 100 9.696 -3.391 -1.605 1.00 0.00 H new ATOM 0 HA CYS A 100 10.493 -6.184 -1.087 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.754 -5.686 -1.001 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.242 -4.715 -2.367 1.00 0.00 H new ATOM 0 HG CYS A 100 12.819 -2.362 -1.332 1.00 0.00 H new ATOM 1644 N THR A 101 10.776 -5.670 1.414 1.00 0.00 N ATOM 1645 CA THR A 101 10.565 -5.454 2.840 1.00 0.00 C ATOM 1646 C THR A 101 11.873 -5.576 3.614 1.00 0.00 C ATOM 1647 O THR A 101 12.940 -5.751 3.024 1.00 0.00 O ATOM 1648 CB THR A 101 9.547 -6.457 3.415 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.963 -7.797 3.130 1.00 0.00 O ATOM 1650 CG2 THR A 101 8.162 -6.216 2.832 1.00 0.00 C ATOM 0 H THR A 101 11.221 -6.558 1.183 1.00 0.00 H new ATOM 0 HA THR A 101 10.172 -4.443 2.952 1.00 0.00 H new ATOM 0 HB THR A 101 9.500 -6.314 4.495 1.00 0.00 H new ATOM 0 HG1 THR A 101 10.251 -8.233 3.959 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.460 -6.936 3.253 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.835 -5.205 3.076 1.00 0.00 H new ATOM 0 HG23 THR A 101 8.198 -6.334 1.749 1.00 0.00 H new ATOM 1658 N ASP A 102 11.784 -5.484 4.936 1.00 0.00 N ATOM 1659 CA ASP A 102 12.961 -5.585 5.791 1.00 0.00 C ATOM 1660 C ASP A 102 13.306 -7.045 6.069 1.00 0.00 C ATOM 1661 O ASP A 102 14.476 -7.430 6.067 1.00 0.00 O ATOM 1662 CB ASP A 102 12.727 -4.844 7.108 1.00 0.00 C ATOM 1663 CG ASP A 102 12.473 -3.363 6.902 1.00 0.00 C ATOM 1664 OD1 ASP A 102 11.776 -3.011 5.927 1.00 0.00 O ATOM 1665 OD2 ASP A 102 12.972 -2.557 7.714 1.00 0.00 O ATOM 0 H ASP A 102 10.909 -5.340 5.439 1.00 0.00 H new ATOM 0 HA ASP A 102 13.800 -5.125 5.269 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.876 -5.287 7.625 1.00 0.00 H new ATOM 0 HB3 ASP A 102 13.595 -4.974 7.754 1.00 0.00 H new ATOM 1670 N THR A 103 12.280 -7.855 6.309 1.00 0.00 N ATOM 1671 CA THR A 103 12.474 -9.272 6.591 1.00 0.00 C ATOM 1672 C THR A 103 11.599 -10.137 5.690 1.00 0.00 C ATOM 1673 O THR A 103 10.908 -9.630 4.807 1.00 0.00 O ATOM 1674 CB THR A 103 12.158 -9.600 8.062 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.832 -9.168 8.387 1.00 0.00 O ATOM 1676 CG2 THR A 103 13.158 -8.930 8.993 1.00 0.00 C ATOM 0 H THR A 103 11.305 -7.554 6.314 1.00 0.00 H new ATOM 0 HA THR A 103 13.523 -9.493 6.394 1.00 0.00 H new ATOM 0 HB THR A 103 12.230 -10.680 8.194 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.639 -9.382 9.324 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.914 -9.176 10.027 1.00 0.00 H new ATOM 0 HG22 THR A 103 14.163 -9.284 8.763 1.00 0.00 H new ATOM 0 HG23 THR A 103 13.114 -7.849 8.857 1.00 0.00 H new ATOM 1684 N GLY A 104 11.634 -11.446 5.920 1.00 0.00 N ATOM 1685 CA GLY A 104 10.839 -12.360 5.121 1.00 0.00 C ATOM 1686 C GLY A 104 9.356 -12.248 5.414 1.00 0.00 C ATOM 1687 O GLY A 104 8.528 -12.318 4.506 1.00 0.00 O ATOM 0 H GLY A 104 12.198 -11.889 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 104 11.013 -12.159 4.064 1.00 0.00 H new ATOM 0 HA3 GLY A 104 11.167 -13.382 5.310 1.00 0.00 H new ATOM 1691 N LYS A 105 9.018 -12.074 6.688 1.00 0.00 N ATOM 1692 CA LYS A 105 7.625 -11.953 7.100 1.00 0.00 C ATOM 1693 C LYS A 105 6.967 -10.742 6.445 1.00 0.00 C ATOM 1694 O LYS A 105 6.034 -10.883 5.656 1.00 0.00 O ATOM 1695 CB LYS A 105 7.530 -11.835 8.623 1.00 0.00 C ATOM 1696 CG LYS A 105 6.148 -12.144 9.172 1.00 0.00 C ATOM 1697 CD LYS A 105 5.284 -10.896 9.240 1.00 0.00 C ATOM 1698 CE LYS A 105 5.698 -9.992 10.391 1.00 0.00 C ATOM 1699 NZ LYS A 105 5.759 -10.732 11.682 1.00 0.00 N ATOM 0 H LYS A 105 9.690 -12.014 7.453 1.00 0.00 H new ATOM 0 HA LYS A 105 7.098 -12.851 6.777 1.00 0.00 H new ATOM 0 HB2 LYS A 105 8.252 -12.513 9.077 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.812 -10.825 8.919 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.663 -12.889 8.542 1.00 0.00 H new ATOM 0 HG3 LYS A 105 6.240 -12.579 10.167 1.00 0.00 H new ATOM 0 HD2 LYS A 105 5.360 -10.348 8.301 1.00 0.00 H new ATOM 0 HD3 LYS A 105 4.239 -11.182 9.359 1.00 0.00 H new ATOM 0 HE2 LYS A 105 6.673 -9.554 10.177 1.00 0.00 H new ATOM 0 HE3 LYS A 105 4.991 -9.167 10.478 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 5.456 -10.106 12.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 5.130 -11.559 11.638 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 6.734 -11.048 11.855 1.00 0.00 H new ATOM 1713 N GLU A 106 7.462 -9.554 6.777 1.00 0.00 N ATOM 1714 CA GLU A 106 6.921 -8.319 6.219 1.00 0.00 C ATOM 1715 C GLU A 106 6.572 -8.496 4.744 1.00 0.00 C ATOM 1716 O GLU A 106 5.683 -7.824 4.222 1.00 0.00 O ATOM 1717 CB GLU A 106 7.926 -7.177 6.383 1.00 0.00 C ATOM 1718 CG GLU A 106 7.952 -6.585 7.782 1.00 0.00 C ATOM 1719 CD GLU A 106 6.920 -5.491 7.972 1.00 0.00 C ATOM 1720 OE1 GLU A 106 5.770 -5.677 7.523 1.00 0.00 O ATOM 1721 OE2 GLU A 106 7.262 -4.449 8.569 1.00 0.00 O ATOM 0 H GLU A 106 8.235 -9.420 7.428 1.00 0.00 H new ATOM 0 HA GLU A 106 6.009 -8.073 6.763 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.922 -7.542 6.134 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.688 -6.389 5.669 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.775 -7.376 8.511 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.944 -6.182 7.983 1.00 0.00 H new ATOM 1728 N MET A 107 7.278 -9.404 4.079 1.00 0.00 N ATOM 1729 CA MET A 107 7.042 -9.670 2.665 1.00 0.00 C ATOM 1730 C MET A 107 5.864 -10.621 2.480 1.00 0.00 C ATOM 1731 O MET A 107 5.030 -10.424 1.597 1.00 0.00 O ATOM 1732 CB MET A 107 8.297 -10.262 2.019 1.00 0.00 C ATOM 1733 CG MET A 107 8.001 -11.159 0.828 1.00 0.00 C ATOM 1734 SD MET A 107 9.402 -11.301 -0.299 1.00 0.00 S ATOM 1735 CE MET A 107 9.586 -13.080 -0.387 1.00 0.00 C ATOM 0 H MET A 107 8.018 -9.968 4.496 1.00 0.00 H new ATOM 0 HA MET A 107 6.803 -8.725 2.178 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.949 -9.449 1.698 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.846 -10.834 2.767 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.725 -12.151 1.185 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.142 -10.765 0.286 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.416 -13.328 -1.049 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.786 -13.475 0.609 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.668 -13.522 -0.775 1.00 0.00 H new ATOM 1745 N GLU A 108 5.803 -11.651 3.318 1.00 0.00 N ATOM 1746 CA GLU A 108 4.727 -12.632 3.244 1.00 0.00 C ATOM 1747 C GLU A 108 3.374 -11.976 3.508 1.00 0.00 C ATOM 1748 O GLU A 108 2.365 -12.344 2.904 1.00 0.00 O ATOM 1749 CB GLU A 108 4.964 -13.759 4.251 1.00 0.00 C ATOM 1750 CG GLU A 108 4.324 -13.510 5.606 1.00 0.00 C ATOM 1751 CD GLU A 108 4.779 -14.502 6.658 1.00 0.00 C ATOM 1752 OE1 GLU A 108 5.753 -15.238 6.396 1.00 0.00 O ATOM 1753 OE2 GLU A 108 4.161 -14.544 7.743 1.00 0.00 O ATOM 0 H GLU A 108 6.485 -11.828 4.055 1.00 0.00 H new ATOM 0 HA GLU A 108 4.719 -13.050 2.237 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.574 -14.690 3.840 1.00 0.00 H new ATOM 0 HB3 GLU A 108 6.037 -13.895 4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.564 -12.500 5.937 1.00 0.00 H new ATOM 0 HG3 GLU A 108 3.240 -13.563 5.507 1.00 0.00 H new ATOM 1760 N LEU A 109 3.360 -11.005 4.413 1.00 0.00 N ATOM 1761 CA LEU A 109 2.132 -10.297 4.758 1.00 0.00 C ATOM 1762 C LEU A 109 1.606 -9.506 3.565 1.00 0.00 C ATOM 1763 O LEU A 109 0.396 -9.366 3.385 1.00 0.00 O ATOM 1764 CB LEU A 109 2.376 -9.358 5.940 1.00 0.00 C ATOM 1765 CG LEU A 109 3.076 -9.973 7.153 1.00 0.00 C ATOM 1766 CD1 LEU A 109 3.448 -8.894 8.159 1.00 0.00 C ATOM 1767 CD2 LEU A 109 2.190 -11.027 7.802 1.00 0.00 C ATOM 0 H LEU A 109 4.186 -10.689 4.922 1.00 0.00 H new ATOM 0 HA LEU A 109 1.382 -11.037 5.039 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.972 -8.514 5.591 1.00 0.00 H new ATOM 0 HB3 LEU A 109 1.416 -8.958 6.264 1.00 0.00 H new ATOM 0 HG LEU A 109 3.992 -10.456 6.814 1.00 0.00 H new ATOM 0 HD11 LEU A 109 3.945 -9.350 9.015 1.00 0.00 H new ATOM 0 HD12 LEU A 109 4.120 -8.175 7.690 1.00 0.00 H new ATOM 0 HD13 LEU A 109 2.546 -8.382 8.494 1.00 0.00 H new ATOM 0 HD21 LEU A 109 2.704 -11.454 8.663 1.00 0.00 H new ATOM 0 HD22 LEU A 109 1.257 -10.568 8.127 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.974 -11.815 7.081 1.00 0.00 H new ATOM 1779 N TRP A 110 2.523 -8.992 2.753 1.00 0.00 N ATOM 1780 CA TRP A 110 2.151 -8.216 1.575 1.00 0.00 C ATOM 1781 C TRP A 110 1.771 -9.132 0.417 1.00 0.00 C ATOM 1782 O TRP A 110 0.788 -8.889 -0.282 1.00 0.00 O ATOM 1783 CB TRP A 110 3.301 -7.298 1.159 1.00 0.00 C ATOM 1784 CG TRP A 110 3.284 -5.971 1.856 1.00 0.00 C ATOM 1785 CD1 TRP A 110 4.275 -5.440 2.632 1.00 0.00 C ATOM 1786 CD2 TRP A 110 2.224 -5.009 1.842 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.894 -4.206 3.101 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.641 -3.918 2.630 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.965 -4.962 1.238 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.841 -2.796 2.829 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 0.172 -3.848 1.438 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.613 -2.777 2.227 1.00 0.00 C ATOM 0 H TRP A 110 3.528 -9.098 2.888 1.00 0.00 H new ATOM 0 HA TRP A 110 1.284 -7.607 1.831 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.248 -7.797 1.366 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.255 -7.135 0.082 1.00 0.00 H new ATOM 0 HD1 TRP A 110 5.219 -5.920 2.845 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.454 -3.602 3.703 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.618 -5.781 0.626 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 2.178 -1.970 3.437 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.804 -3.802 0.978 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.030 -1.920 2.362 1.00 0.00 H new ATOM 1803 N MET A 111 2.557 -10.186 0.220 1.00 0.00 N ATOM 1804 CA MET A 111 2.301 -11.140 -0.853 1.00 0.00 C ATOM 1805 C MET A 111 0.967 -11.849 -0.644 1.00 0.00 C ATOM 1806 O MET A 111 0.026 -11.665 -1.416 1.00 0.00 O ATOM 1807 CB MET A 111 3.432 -12.167 -0.932 1.00 0.00 C ATOM 1808 CG MET A 111 4.736 -11.596 -1.465 1.00 0.00 C ATOM 1809 SD MET A 111 4.720 -11.380 -3.255 1.00 0.00 S ATOM 1810 CE MET A 111 5.878 -12.650 -3.759 1.00 0.00 C ATOM 0 H MET A 111 3.376 -10.401 0.789 1.00 0.00 H new ATOM 0 HA MET A 111 2.255 -10.589 -1.792 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.605 -12.581 0.061 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.118 -12.992 -1.571 1.00 0.00 H new ATOM 0 HG2 MET A 111 4.929 -10.635 -0.989 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.557 -12.258 -1.190 1.00 0.00 H new ATOM 0 HE1 MET A 111 5.896 -12.715 -4.847 1.00 0.00 H new ATOM 0 HE2 MET A 111 6.874 -12.400 -3.393 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.569 -13.609 -3.344 1.00 0.00 H new ATOM 1820 N LYS A 112 0.893 -12.661 0.405 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.326 -13.399 0.718 1.00 0.00 C ATOM 1822 C LYS A 112 -1.563 -12.579 0.366 1.00 0.00 C ATOM 1823 O LYS A 112 -2.537 -13.107 -0.169 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.354 -13.773 2.202 1.00 0.00 C ATOM 1825 CG LYS A 112 0.656 -14.844 2.578 1.00 0.00 C ATOM 1826 CD LYS A 112 0.208 -16.220 2.114 1.00 0.00 C ATOM 1827 CE LYS A 112 1.003 -17.323 2.795 1.00 0.00 C ATOM 1828 NZ LYS A 112 0.650 -17.452 4.236 1.00 0.00 N ATOM 0 H LYS A 112 1.663 -12.825 1.053 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.333 -14.310 0.120 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.163 -12.880 2.797 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.354 -14.121 2.462 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.623 -14.606 2.134 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.795 -14.851 3.659 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -0.853 -16.350 2.327 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.328 -16.298 1.033 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.817 -18.270 2.289 1.00 0.00 H new ATOM 0 HE3 LYS A 112 2.069 -17.115 2.699 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 0.980 -18.371 4.593 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 1.105 -16.687 4.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.382 -17.388 4.348 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.516 -11.286 0.670 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.632 -10.393 0.382 1.00 0.00 C ATOM 1844 C ALA A 113 -2.630 -9.965 -1.081 1.00 0.00 C ATOM 1845 O ALA A 113 -3.527 -10.322 -1.843 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.580 -9.174 1.291 1.00 0.00 C ATOM 0 H ALA A 113 -0.718 -10.834 1.115 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.558 -10.936 0.573 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.419 -8.516 1.065 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.639 -9.493 2.332 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.645 -8.638 1.128 1.00 0.00 H new ATOM 1852 N MET A 114 -1.616 -9.197 -1.467 1.00 0.00 N ATOM 1853 CA MET A 114 -1.497 -8.721 -2.840 1.00 0.00 C ATOM 1854 C MET A 114 -1.966 -9.785 -3.827 1.00 0.00 C ATOM 1855 O MET A 114 -2.857 -9.542 -4.641 1.00 0.00 O ATOM 1856 CB MET A 114 -0.050 -8.329 -3.143 1.00 0.00 C ATOM 1857 CG MET A 114 0.342 -6.971 -2.584 1.00 0.00 C ATOM 1858 SD MET A 114 1.862 -6.332 -3.313 1.00 0.00 S ATOM 1859 CE MET A 114 2.489 -5.331 -1.967 1.00 0.00 C ATOM 0 H MET A 114 -0.865 -8.891 -0.848 1.00 0.00 H new ATOM 0 HA MET A 114 -2.134 -7.843 -2.950 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.617 -9.088 -2.733 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.098 -8.325 -4.223 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.467 -6.262 -2.761 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.467 -7.049 -1.504 1.00 0.00 H new ATOM 0 HE1 MET A 114 3.578 -5.366 -1.965 1.00 0.00 H new ATOM 0 HE2 MET A 114 2.159 -4.300 -2.096 1.00 0.00 H new ATOM 0 HE3 MET A 114 2.112 -5.717 -1.020 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.359 -10.965 -3.750 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.714 -12.067 -4.637 1.00 0.00 C ATOM 1871 C LEU A 115 -3.224 -12.286 -4.657 1.00 0.00 C ATOM 1872 O LEU A 115 -3.821 -12.465 -5.718 1.00 0.00 O ATOM 1873 CB LEU A 115 -1.008 -13.350 -4.196 1.00 0.00 C ATOM 1874 CG LEU A 115 0.365 -13.608 -4.818 1.00 0.00 C ATOM 1875 CD1 LEU A 115 0.279 -13.566 -6.336 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.380 -12.594 -4.311 1.00 0.00 C ATOM 0 H LEU A 115 -0.619 -11.183 -3.083 1.00 0.00 H new ATOM 0 HA LEU A 115 -1.389 -11.808 -5.645 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.895 -13.325 -3.112 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.655 -14.196 -4.429 1.00 0.00 H new ATOM 0 HG LEU A 115 0.696 -14.603 -4.520 1.00 0.00 H new ATOM 0 HD11 LEU A 115 1.265 -13.752 -6.762 1.00 0.00 H new ATOM 0 HD12 LEU A 115 -0.416 -14.331 -6.682 1.00 0.00 H new ATOM 0 HD13 LEU A 115 -0.074 -12.585 -6.653 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.351 -12.793 -4.764 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.054 -11.589 -4.578 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.463 -12.673 -3.227 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.834 -12.267 -3.477 1.00 0.00 N ATOM 1889 CA ASP A 116 -5.275 -12.460 -3.359 1.00 0.00 C ATOM 1890 C ASP A 116 -6.029 -11.497 -4.271 1.00 0.00 C ATOM 1891 O ASP A 116 -7.152 -11.774 -4.690 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.720 -12.262 -1.909 1.00 0.00 C ATOM 1893 CG ASP A 116 -6.935 -13.099 -1.558 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -6.780 -14.325 -1.381 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -8.042 -12.527 -1.461 1.00 0.00 O ATOM 0 H ASP A 116 -3.354 -12.120 -2.589 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.507 -13.480 -3.667 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.898 -12.521 -1.241 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -5.947 -11.209 -1.742 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.403 -10.364 -4.573 1.00 0.00 N ATOM 1901 CA ALA A 117 -6.014 -9.360 -5.436 1.00 0.00 C ATOM 1902 C ALA A 117 -5.554 -9.525 -6.881 1.00 0.00 C ATOM 1903 O ALA A 117 -6.338 -9.357 -7.814 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.687 -7.962 -4.933 1.00 0.00 C ATOM 0 H ALA A 117 -4.473 -10.118 -4.233 1.00 0.00 H new ATOM 0 HA ALA A 117 -7.094 -9.501 -5.407 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -6.150 -7.223 -5.587 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -6.070 -7.841 -3.920 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.606 -7.819 -4.931 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.279 -9.855 -7.057 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.716 -10.044 -8.389 1.00 0.00 C ATOM 1912 C ALA A 118 -4.335 -11.254 -9.079 1.00 0.00 C ATOM 1913 O ALA A 118 -4.831 -11.155 -10.203 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.205 -10.196 -8.306 1.00 0.00 C ATOM 0 H ALA A 118 -3.616 -9.997 -6.295 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.949 -9.161 -8.984 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.798 -10.336 -9.307 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.773 -9.300 -7.861 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.960 -11.061 -7.690 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.302 -12.397 -8.402 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.859 -13.628 -8.952 1.00 0.00 C ATOM 1922 C LEU A 119 -6.154 -13.349 -9.708 1.00 0.00 C ATOM 1923 O LEU A 119 -6.459 -14.008 -10.703 1.00 0.00 O ATOM 1924 CB LEU A 119 -5.116 -14.639 -7.833 1.00 0.00 C ATOM 1925 CG LEU A 119 -6.460 -14.517 -7.113 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -7.513 -15.371 -7.802 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -6.320 -14.915 -5.651 1.00 0.00 C ATOM 0 H LEU A 119 -3.896 -12.497 -7.472 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.134 -14.045 -9.651 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -5.041 -15.642 -8.253 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -4.321 -14.543 -7.094 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.781 -13.476 -7.156 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -8.463 -15.272 -7.276 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.633 -15.039 -8.833 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -7.199 -16.415 -7.791 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -7.286 -14.822 -5.155 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -5.977 -15.947 -5.586 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -5.597 -14.261 -5.163 1.00 0.00 H new