USER MOD reduce.3.24.130724 H: found=0, std=0, add=703, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 705 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 MET CE :methyl 180:sc= -0.0033 (180deg=0) USER MOD Set 1.2: A 111 MET CE :methyl -176:sc= -0.123 (180deg=-0.153) USER MOD Set 2.1: A 94 MET CE :methyl -172:sc= -0.622 (180deg=-0.727) USER MOD Set 2.2: A 97 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 69 SER OG : rot -137:sc= 0.12 USER MOD Set 3.2: A 91 HIS : no HD1:sc= -7.22! C(o=-7.1!,f=-22!) USER MOD Set 4.1: A 28 TYR OH : rot 180:sc= 0 USER MOD Set 4.2: A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 LYS NZ :NH3+ -108:sc= 0.213 (180deg=-1.15!) USER MOD Single : A 39 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0337) USER MOD Single : A 46 SER OG : rot -57:sc= 0.137 USER MOD Single : A 49 CYS SG : rot 15:sc= 0.841 USER MOD Single : A 52 TYR OH : rot 180:sc= -0.874 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 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 (180deg=0) USER MOD Single : A 93 ASN : amide:sc= -0.0684 X(o=-0.068,f=-0.35) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 180:sc= -0.135 USER MOD Single : A 100 CYS SG : rot -101:sc= 1.84 USER MOD Single : A 101 THR OG1 : rot 121:sc= -0.186 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 105 LYS NZ :NH3+ -161:sc= -0.0319 (180deg=-0.238) USER MOD Single : A 112 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 114 MET CE :methyl -127:sc= -0.864 (180deg=-2.55!) USER MOD ----------------------------------------------------------------- ATOM 265 N PRO A 20 -13.362 -3.979 4.510 1.00 0.00 N ATOM 266 CA PRO A 20 -12.313 -4.354 5.462 1.00 0.00 C ATOM 267 C PRO A 20 -10.914 -4.195 4.876 1.00 0.00 C ATOM 268 O PRO A 20 -10.693 -4.452 3.693 1.00 0.00 O ATOM 269 CB PRO A 20 -12.607 -5.828 5.751 1.00 0.00 C ATOM 270 CG PRO A 20 -14.072 -5.973 5.528 1.00 0.00 C ATOM 271 CD PRO A 20 -14.447 -4.973 4.458 1.00 0.00 C ATOM 0 HA PRO A 20 -12.323 -3.721 6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 20 -12.039 -6.482 5.089 1.00 0.00 H new ATOM 0 HB3 PRO A 20 -12.334 -6.093 6.772 1.00 0.00 H new ATOM 0 HG2 PRO A 20 -14.318 -6.987 5.213 1.00 0.00 H new ATOM 0 HG3 PRO A 20 -14.625 -5.782 6.448 1.00 0.00 H new ATOM 0 HD2 PRO A 20 -14.512 -5.443 3.477 1.00 0.00 H new ATOM 0 HD3 PRO A 20 -15.417 -4.517 4.658 1.00 0.00 H new ATOM 279 N VAL A 21 -9.972 -3.768 5.712 1.00 0.00 N ATOM 280 CA VAL A 21 -8.594 -3.576 5.277 1.00 0.00 C ATOM 281 C VAL A 21 -7.727 -4.773 5.652 1.00 0.00 C ATOM 282 O VAL A 21 -7.651 -5.156 6.820 1.00 0.00 O ATOM 283 CB VAL A 21 -7.985 -2.302 5.890 1.00 0.00 C ATOM 284 CG1 VAL A 21 -6.547 -2.122 5.428 1.00 0.00 C ATOM 285 CG2 VAL A 21 -8.824 -1.085 5.533 1.00 0.00 C ATOM 0 H VAL A 21 -10.139 -3.549 6.694 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.616 -3.473 4.192 1.00 0.00 H new ATOM 0 HB VAL A 21 -7.983 -2.407 6.975 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.133 -1.216 5.871 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -5.954 -2.982 5.739 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -6.522 -2.038 4.342 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.379 -0.194 5.975 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -8.861 -0.973 4.449 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -9.835 -1.214 5.919 1.00 0.00 H new ATOM 295 N VAL A 22 -7.074 -5.360 4.654 1.00 0.00 N ATOM 296 CA VAL A 22 -6.211 -6.513 4.879 1.00 0.00 C ATOM 297 C VAL A 22 -5.020 -6.144 5.758 1.00 0.00 C ATOM 298 O VAL A 22 -4.775 -6.777 6.785 1.00 0.00 O ATOM 299 CB VAL A 22 -5.693 -7.094 3.550 1.00 0.00 C ATOM 300 CG1 VAL A 22 -4.791 -8.292 3.807 1.00 0.00 C ATOM 301 CG2 VAL A 22 -6.857 -7.476 2.648 1.00 0.00 C ATOM 0 H VAL A 22 -7.126 -5.056 3.682 1.00 0.00 H new ATOM 0 HA VAL A 22 -6.814 -7.266 5.386 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.105 -6.329 3.042 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.434 -8.689 2.857 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.940 -7.983 4.413 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -5.352 -9.063 4.335 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -6.474 -7.885 1.713 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.473 -8.225 3.146 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.460 -6.592 2.438 1.00 0.00 H new ATOM 311 N ARG A 23 -4.284 -5.117 5.347 1.00 0.00 N ATOM 312 CA ARG A 23 -3.119 -4.664 6.097 1.00 0.00 C ATOM 313 C ARG A 23 -2.655 -3.296 5.606 1.00 0.00 C ATOM 314 O ARG A 23 -2.903 -2.919 4.460 1.00 0.00 O ATOM 315 CB ARG A 23 -1.979 -5.677 5.969 1.00 0.00 C ATOM 316 CG ARG A 23 -0.783 -5.362 6.852 1.00 0.00 C ATOM 317 CD ARG A 23 -1.041 -5.749 8.300 1.00 0.00 C ATOM 318 NE ARG A 23 -0.939 -7.191 8.507 1.00 0.00 N ATOM 319 CZ ARG A 23 -0.925 -7.762 9.706 1.00 0.00 C ATOM 320 NH1 ARG A 23 -1.007 -7.017 10.800 1.00 0.00 N ATOM 321 NH2 ARG A 23 -0.829 -9.081 9.813 1.00 0.00 N ATOM 0 H ARG A 23 -4.474 -4.583 4.499 1.00 0.00 H new ATOM 0 HA ARG A 23 -3.404 -4.577 7.146 1.00 0.00 H new ATOM 0 HB2 ARG A 23 -2.355 -6.668 6.221 1.00 0.00 H new ATOM 0 HB3 ARG A 23 -1.653 -5.715 4.930 1.00 0.00 H new ATOM 0 HG2 ARG A 23 0.093 -5.895 6.483 1.00 0.00 H new ATOM 0 HG3 ARG A 23 -0.557 -4.297 6.794 1.00 0.00 H new ATOM 0 HD2 ARG A 23 -0.325 -5.239 8.945 1.00 0.00 H new ATOM 0 HD3 ARG A 23 -2.034 -5.410 8.595 1.00 0.00 H new ATOM 0 HE ARG A 23 -0.875 -7.793 7.686 1.00 0.00 H new ATOM 0 HH11 ARG A 23 -1.081 -6.003 10.722 1.00 0.00 H new ATOM 0 HH12 ARG A 23 -0.996 -7.458 11.720 1.00 0.00 H new ATOM 0 HH21 ARG A 23 -0.766 -9.657 8.974 1.00 0.00 H new ATOM 0 HH22 ARG A 23 -0.818 -9.518 10.734 1.00 0.00 H new ATOM 335 N ARG A 24 -1.981 -2.556 6.481 1.00 0.00 N ATOM 336 CA ARG A 24 -1.484 -1.229 6.138 1.00 0.00 C ATOM 337 C ARG A 24 -0.112 -0.985 6.759 1.00 0.00 C ATOM 338 O ARG A 24 0.027 -0.927 7.980 1.00 0.00 O ATOM 339 CB ARG A 24 -2.467 -0.156 6.609 1.00 0.00 C ATOM 340 CG ARG A 24 -2.859 -0.288 8.071 1.00 0.00 C ATOM 341 CD ARG A 24 -3.846 0.793 8.484 1.00 0.00 C ATOM 342 NE ARG A 24 -4.238 0.670 9.885 1.00 0.00 N ATOM 343 CZ ARG A 24 -3.453 1.009 10.901 1.00 0.00 C ATOM 344 NH1 ARG A 24 -2.239 1.490 10.673 1.00 0.00 N ATOM 345 NH2 ARG A 24 -3.882 0.868 12.149 1.00 0.00 N ATOM 0 H ARG A 24 -1.767 -2.853 7.433 1.00 0.00 H new ATOM 0 HA ARG A 24 -1.388 -1.173 5.054 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -2.024 0.827 6.448 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -3.366 -0.204 5.995 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -3.300 -1.270 8.243 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -1.967 -0.225 8.695 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -3.400 1.774 8.317 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -4.733 0.734 7.853 1.00 0.00 H new ATOM 0 HE ARG A 24 -5.166 0.303 10.095 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -1.906 1.601 9.715 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -1.638 1.750 11.455 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -4.816 0.499 12.329 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -3.278 1.129 12.928 1.00 0.00 H new ATOM 359 N GLY A 25 0.900 -0.844 5.908 1.00 0.00 N ATOM 360 CA GLY A 25 2.248 -0.608 6.391 1.00 0.00 C ATOM 361 C GLY A 25 3.105 0.130 5.382 1.00 0.00 C ATOM 362 O GLY A 25 2.901 0.005 4.175 1.00 0.00 O ATOM 0 H GLY A 25 0.810 -0.889 4.893 1.00 0.00 H new ATOM 0 HA2 GLY A 25 2.204 -0.032 7.315 1.00 0.00 H new ATOM 0 HA3 GLY A 25 2.716 -1.562 6.632 1.00 0.00 H new ATOM 366 N TRP A 26 4.066 0.902 5.878 1.00 0.00 N ATOM 367 CA TRP A 26 4.956 1.665 5.010 1.00 0.00 C ATOM 368 C TRP A 26 5.694 0.746 4.044 1.00 0.00 C ATOM 369 O TRP A 26 6.726 0.168 4.388 1.00 0.00 O ATOM 370 CB TRP A 26 5.960 2.459 5.847 1.00 0.00 C ATOM 371 CG TRP A 26 5.340 3.601 6.593 1.00 0.00 C ATOM 372 CD1 TRP A 26 4.811 3.567 7.852 1.00 0.00 C ATOM 373 CD2 TRP A 26 5.185 4.946 6.127 1.00 0.00 C ATOM 374 NE1 TRP A 26 4.335 4.809 8.195 1.00 0.00 N ATOM 375 CE2 TRP A 26 4.553 5.673 7.155 1.00 0.00 C ATOM 376 CE3 TRP A 26 5.519 5.607 4.942 1.00 0.00 C ATOM 377 CZ2 TRP A 26 4.250 7.026 7.031 1.00 0.00 C ATOM 378 CZ3 TRP A 26 5.217 6.950 4.820 1.00 0.00 C ATOM 379 CH2 TRP A 26 4.588 7.648 5.860 1.00 0.00 C ATOM 0 H TRP A 26 4.249 1.016 6.875 1.00 0.00 H new ATOM 0 HA TRP A 26 4.349 2.359 4.429 1.00 0.00 H new ATOM 0 HB2 TRP A 26 6.440 1.787 6.559 1.00 0.00 H new ATOM 0 HB3 TRP A 26 6.743 2.844 5.194 1.00 0.00 H new ATOM 0 HD1 TRP A 26 4.773 2.692 8.485 1.00 0.00 H new ATOM 0 HE1 TRP A 26 3.891 5.049 9.081 1.00 0.00 H new ATOM 0 HE3 TRP A 26 6.005 5.078 4.136 1.00 0.00 H new ATOM 0 HZ2 TRP A 26 3.765 7.566 7.831 1.00 0.00 H new ATOM 0 HZ3 TRP A 26 5.470 7.470 3.908 1.00 0.00 H new ATOM 0 HH2 TRP A 26 4.366 8.697 5.735 1.00 0.00 H new ATOM 390 N LEU A 27 5.161 0.615 2.834 1.00 0.00 N ATOM 391 CA LEU A 27 5.771 -0.235 1.817 1.00 0.00 C ATOM 392 C LEU A 27 6.739 0.563 0.950 1.00 0.00 C ATOM 393 O LEU A 27 6.592 1.775 0.791 1.00 0.00 O ATOM 394 CB LEU A 27 4.690 -0.872 0.942 1.00 0.00 C ATOM 395 CG LEU A 27 5.164 -1.955 -0.028 1.00 0.00 C ATOM 396 CD1 LEU A 27 5.560 -3.213 0.730 1.00 0.00 C ATOM 397 CD2 LEU A 27 4.081 -2.266 -1.051 1.00 0.00 C ATOM 0 H LEU A 27 4.308 1.086 2.533 1.00 0.00 H new ATOM 0 HA LEU A 27 6.330 -1.022 2.323 1.00 0.00 H new ATOM 0 HB2 LEU A 27 3.930 -1.303 1.594 1.00 0.00 H new ATOM 0 HB3 LEU A 27 4.205 -0.083 0.366 1.00 0.00 H new ATOM 0 HG LEU A 27 6.041 -1.583 -0.558 1.00 0.00 H new ATOM 0 HD11 LEU A 27 5.895 -3.973 0.024 1.00 0.00 H new ATOM 0 HD12 LEU A 27 6.368 -2.981 1.423 1.00 0.00 H new ATOM 0 HD13 LEU A 27 4.701 -3.588 1.287 1.00 0.00 H new ATOM 0 HD21 LEU A 27 4.436 -3.039 -1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 27 3.186 -2.618 -0.538 1.00 0.00 H new ATOM 0 HD23 LEU A 27 3.844 -1.364 -1.616 1.00 0.00 H new ATOM 409 N TYR A 28 7.728 -0.125 0.390 1.00 0.00 N ATOM 410 CA TYR A 28 8.721 0.519 -0.462 1.00 0.00 C ATOM 411 C TYR A 28 8.461 0.208 -1.932 1.00 0.00 C ATOM 412 O TYR A 28 8.577 -0.938 -2.368 1.00 0.00 O ATOM 413 CB TYR A 28 10.128 0.063 -0.073 1.00 0.00 C ATOM 414 CG TYR A 28 10.441 0.246 1.395 1.00 0.00 C ATOM 415 CD1 TYR A 28 10.726 1.503 1.914 1.00 0.00 C ATOM 416 CD2 TYR A 28 10.449 -0.839 2.263 1.00 0.00 C ATOM 417 CE1 TYR A 28 11.013 1.674 3.254 1.00 0.00 C ATOM 418 CE2 TYR A 28 10.733 -0.677 3.606 1.00 0.00 C ATOM 419 CZ TYR A 28 11.015 0.581 4.096 1.00 0.00 C ATOM 420 OH TYR A 28 11.298 0.748 5.432 1.00 0.00 O ATOM 0 H TYR A 28 7.863 -1.129 0.511 1.00 0.00 H new ATOM 0 HA TYR A 28 8.643 1.597 -0.319 1.00 0.00 H new ATOM 0 HB2 TYR A 28 10.244 -0.989 -0.332 1.00 0.00 H new ATOM 0 HB3 TYR A 28 10.857 0.619 -0.663 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.723 2.361 1.258 1.00 0.00 H new ATOM 0 HD2 TYR A 28 10.230 -1.825 1.882 1.00 0.00 H new ATOM 0 HE1 TYR A 28 11.235 2.658 3.641 1.00 0.00 H new ATOM 0 HE2 TYR A 28 10.734 -1.531 4.268 1.00 0.00 H new ATOM 0 HH TYR A 28 11.257 -0.120 5.886 1.00 0.00 H new ATOM 430 N LYS A 29 8.110 1.238 -2.695 1.00 0.00 N ATOM 431 CA LYS A 29 7.835 1.079 -4.118 1.00 0.00 C ATOM 432 C LYS A 29 9.034 1.515 -4.955 1.00 0.00 C ATOM 433 O LYS A 29 9.835 2.343 -4.524 1.00 0.00 O ATOM 434 CB LYS A 29 6.600 1.891 -4.514 1.00 0.00 C ATOM 435 CG LYS A 29 6.094 1.585 -5.913 1.00 0.00 C ATOM 436 CD LYS A 29 4.605 1.862 -6.039 1.00 0.00 C ATOM 437 CE LYS A 29 4.336 3.321 -6.372 1.00 0.00 C ATOM 438 NZ LYS A 29 4.679 3.640 -7.785 1.00 0.00 N ATOM 0 H LYS A 29 8.009 2.193 -2.351 1.00 0.00 H new ATOM 0 HA LYS A 29 7.644 0.023 -4.310 1.00 0.00 H new ATOM 0 HB2 LYS A 29 5.802 1.696 -3.797 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.837 2.953 -4.446 1.00 0.00 H new ATOM 0 HG2 LYS A 29 6.640 2.188 -6.639 1.00 0.00 H new ATOM 0 HG3 LYS A 29 6.293 0.540 -6.153 1.00 0.00 H new ATOM 0 HD2 LYS A 29 4.180 1.226 -6.816 1.00 0.00 H new ATOM 0 HD3 LYS A 29 4.105 1.603 -5.106 1.00 0.00 H new ATOM 0 HE2 LYS A 29 3.284 3.546 -6.194 1.00 0.00 H new ATOM 0 HE3 LYS A 29 4.916 3.959 -5.705 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 5.541 4.221 -7.810 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 4.841 2.757 -8.311 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 3.895 4.165 -8.223 1.00 0.00 H new ATOM 571 N TRP A 38 14.227 2.605 -4.101 1.00 0.00 N ATOM 572 CA TRP A 38 13.102 2.338 -3.212 1.00 0.00 C ATOM 573 C TRP A 38 12.677 3.604 -2.477 1.00 0.00 C ATOM 574 O TRP A 38 13.498 4.282 -1.859 1.00 0.00 O ATOM 575 CB TRP A 38 13.471 1.248 -2.203 1.00 0.00 C ATOM 576 CG TRP A 38 14.052 0.022 -2.840 1.00 0.00 C ATOM 577 CD1 TRP A 38 15.375 -0.302 -2.938 1.00 0.00 C ATOM 578 CD2 TRP A 38 13.329 -1.042 -3.468 1.00 0.00 C ATOM 579 NE1 TRP A 38 15.518 -1.503 -3.589 1.00 0.00 N ATOM 580 CE2 TRP A 38 14.278 -1.978 -3.924 1.00 0.00 C ATOM 581 CE3 TRP A 38 11.973 -1.296 -3.688 1.00 0.00 C ATOM 582 CZ2 TRP A 38 13.911 -3.146 -4.587 1.00 0.00 C ATOM 583 CZ3 TRP A 38 11.611 -2.456 -4.347 1.00 0.00 C ATOM 584 CH2 TRP A 38 12.577 -3.369 -4.789 1.00 0.00 C ATOM 0 HA TRP A 38 12.265 1.994 -3.819 1.00 0.00 H new ATOM 0 HB2 TRP A 38 14.188 1.652 -1.488 1.00 0.00 H new ATOM 0 HB3 TRP A 38 12.581 0.969 -1.639 1.00 0.00 H new ATOM 0 HD1 TRP A 38 16.189 0.298 -2.559 1.00 0.00 H new ATOM 0 HE1 TRP A 38 16.404 -1.966 -3.790 1.00 0.00 H new ATOM 0 HE3 TRP A 38 11.221 -0.599 -3.349 1.00 0.00 H new ATOM 0 HZ2 TRP A 38 14.654 -3.851 -4.930 1.00 0.00 H new ATOM 0 HZ3 TRP A 38 10.566 -2.662 -4.524 1.00 0.00 H new ATOM 0 HH2 TRP A 38 12.262 -4.267 -5.300 1.00 0.00 H new ATOM 595 N LYS A 39 11.388 3.919 -2.547 1.00 0.00 N ATOM 596 CA LYS A 39 10.852 5.104 -1.888 1.00 0.00 C ATOM 597 C LYS A 39 9.978 4.717 -0.699 1.00 0.00 C ATOM 598 O LYS A 39 9.331 3.669 -0.706 1.00 0.00 O ATOM 599 CB LYS A 39 10.041 5.942 -2.879 1.00 0.00 C ATOM 600 CG LYS A 39 10.893 6.859 -3.739 1.00 0.00 C ATOM 601 CD LYS A 39 11.534 6.106 -4.892 1.00 0.00 C ATOM 602 CE LYS A 39 12.475 6.999 -5.687 1.00 0.00 C ATOM 603 NZ LYS A 39 11.740 8.074 -6.410 1.00 0.00 N ATOM 0 H LYS A 39 10.694 3.369 -3.054 1.00 0.00 H new ATOM 0 HA LYS A 39 11.691 5.696 -1.523 1.00 0.00 H new ATOM 0 HB2 LYS A 39 9.473 5.274 -3.527 1.00 0.00 H new ATOM 0 HB3 LYS A 39 9.318 6.543 -2.327 1.00 0.00 H new ATOM 0 HG2 LYS A 39 10.277 7.669 -4.130 1.00 0.00 H new ATOM 0 HG3 LYS A 39 11.669 7.317 -3.126 1.00 0.00 H new ATOM 0 HD2 LYS A 39 12.084 5.248 -4.506 1.00 0.00 H new ATOM 0 HD3 LYS A 39 10.757 5.717 -5.550 1.00 0.00 H new ATOM 0 HE2 LYS A 39 13.205 7.448 -5.014 1.00 0.00 H new ATOM 0 HE3 LYS A 39 13.031 6.394 -6.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 12.404 8.608 -7.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 11.003 7.649 -7.008 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 11.299 8.717 -5.721 1.00 0.00 H new ATOM 617 N LYS A 40 9.962 5.569 0.320 1.00 0.00 N ATOM 618 CA LYS A 40 9.166 5.318 1.516 1.00 0.00 C ATOM 619 C LYS A 40 7.836 6.062 1.450 1.00 0.00 C ATOM 620 O LYS A 40 7.806 7.289 1.343 1.00 0.00 O ATOM 621 CB LYS A 40 9.939 5.741 2.767 1.00 0.00 C ATOM 622 CG LYS A 40 9.113 5.684 4.040 1.00 0.00 C ATOM 623 CD LYS A 40 9.217 4.324 4.711 1.00 0.00 C ATOM 624 CE LYS A 40 8.688 4.364 6.137 1.00 0.00 C ATOM 625 NZ LYS A 40 9.067 3.145 6.903 1.00 0.00 N ATOM 0 H LYS A 40 10.492 6.440 0.342 1.00 0.00 H new ATOM 0 HA LYS A 40 8.962 4.249 1.568 1.00 0.00 H new ATOM 0 HB2 LYS A 40 10.811 5.097 2.880 1.00 0.00 H new ATOM 0 HB3 LYS A 40 10.309 6.757 2.629 1.00 0.00 H new ATOM 0 HG2 LYS A 40 9.451 6.458 4.729 1.00 0.00 H new ATOM 0 HG3 LYS A 40 8.070 5.898 3.808 1.00 0.00 H new ATOM 0 HD2 LYS A 40 8.656 3.589 4.134 1.00 0.00 H new ATOM 0 HD3 LYS A 40 10.257 3.998 4.717 1.00 0.00 H new ATOM 0 HE2 LYS A 40 9.077 5.247 6.644 1.00 0.00 H new ATOM 0 HE3 LYS A 40 7.602 4.459 6.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 8.688 3.210 7.869 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 8.675 2.304 6.433 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 10.103 3.068 6.942 1.00 0.00 H new ATOM 639 N ARG A 41 6.740 5.314 1.515 1.00 0.00 N ATOM 640 CA ARG A 41 5.408 5.904 1.463 1.00 0.00 C ATOM 641 C ARG A 41 4.386 5.002 2.149 1.00 0.00 C ATOM 642 O ARG A 41 4.667 3.839 2.439 1.00 0.00 O ATOM 643 CB ARG A 41 4.993 6.151 0.011 1.00 0.00 C ATOM 644 CG ARG A 41 3.756 7.023 -0.128 1.00 0.00 C ATOM 645 CD ARG A 41 3.762 7.794 -1.439 1.00 0.00 C ATOM 646 NE ARG A 41 3.096 7.058 -2.510 1.00 0.00 N ATOM 647 CZ ARG A 41 3.703 6.152 -3.268 1.00 0.00 C ATOM 648 NH1 ARG A 41 4.984 5.871 -3.073 1.00 0.00 N ATOM 649 NH2 ARG A 41 3.029 5.524 -4.223 1.00 0.00 N ATOM 0 H ARG A 41 6.748 4.298 1.604 1.00 0.00 H new ATOM 0 HA ARG A 41 5.439 6.856 1.992 1.00 0.00 H new ATOM 0 HB2 ARG A 41 5.821 6.622 -0.520 1.00 0.00 H new ATOM 0 HB3 ARG A 41 4.808 5.192 -0.473 1.00 0.00 H new ATOM 0 HG2 ARG A 41 2.863 6.400 -0.075 1.00 0.00 H new ATOM 0 HG3 ARG A 41 3.707 7.723 0.706 1.00 0.00 H new ATOM 0 HD2 ARG A 41 3.267 8.754 -1.297 1.00 0.00 H new ATOM 0 HD3 ARG A 41 4.791 8.006 -1.730 1.00 0.00 H new ATOM 0 HE ARG A 41 2.110 7.250 -2.686 1.00 0.00 H new ATOM 0 HH11 ARG A 41 5.506 6.351 -2.340 1.00 0.00 H new ATOM 0 HH12 ARG A 41 5.448 5.175 -3.656 1.00 0.00 H new ATOM 0 HH21 ARG A 41 2.043 5.737 -4.376 1.00 0.00 H new ATOM 0 HH22 ARG A 41 3.497 4.828 -4.804 1.00 0.00 H new ATOM 663 N TRP A 42 3.202 5.546 2.405 1.00 0.00 N ATOM 664 CA TRP A 42 2.139 4.790 3.057 1.00 0.00 C ATOM 665 C TRP A 42 1.368 3.951 2.045 1.00 0.00 C ATOM 666 O TRP A 42 0.916 4.459 1.018 1.00 0.00 O ATOM 667 CB TRP A 42 1.185 5.737 3.786 1.00 0.00 C ATOM 668 CG TRP A 42 0.247 5.034 4.719 1.00 0.00 C ATOM 669 CD1 TRP A 42 -1.117 5.105 4.719 1.00 0.00 C ATOM 670 CD2 TRP A 42 0.604 4.154 5.791 1.00 0.00 C ATOM 671 NE1 TRP A 42 -1.629 4.323 5.726 1.00 0.00 N ATOM 672 CE2 TRP A 42 -0.594 3.728 6.397 1.00 0.00 C ATOM 673 CE3 TRP A 42 1.819 3.683 6.295 1.00 0.00 C ATOM 674 CZ2 TRP A 42 -0.609 2.855 7.482 1.00 0.00 C ATOM 675 CZ3 TRP A 42 1.802 2.817 7.372 1.00 0.00 C ATOM 676 CH2 TRP A 42 0.595 2.410 7.956 1.00 0.00 C ATOM 0 H TRP A 42 2.954 6.507 2.171 1.00 0.00 H new ATOM 0 HA TRP A 42 2.598 4.118 3.783 1.00 0.00 H new ATOM 0 HB2 TRP A 42 1.768 6.466 4.349 1.00 0.00 H new ATOM 0 HB3 TRP A 42 0.605 6.294 3.050 1.00 0.00 H new ATOM 0 HD1 TRP A 42 -1.707 5.690 4.029 1.00 0.00 H new ATOM 0 HE1 TRP A 42 -2.619 4.205 5.939 1.00 0.00 H new ATOM 0 HE3 TRP A 42 2.754 3.990 5.851 1.00 0.00 H new ATOM 0 HZ2 TRP A 42 -1.538 2.540 7.933 1.00 0.00 H new ATOM 0 HZ3 TRP A 42 2.735 2.448 7.770 1.00 0.00 H new ATOM 0 HH2 TRP A 42 0.615 1.732 8.796 1.00 0.00 H new ATOM 687 N PHE A 43 1.220 2.663 2.339 1.00 0.00 N ATOM 688 CA PHE A 43 0.503 1.754 1.453 1.00 0.00 C ATOM 689 C PHE A 43 -0.559 0.971 2.221 1.00 0.00 C ATOM 690 O PHE A 43 -0.305 0.467 3.315 1.00 0.00 O ATOM 691 CB PHE A 43 1.480 0.786 0.782 1.00 0.00 C ATOM 692 CG PHE A 43 2.168 1.367 -0.420 1.00 0.00 C ATOM 693 CD1 PHE A 43 3.324 2.117 -0.278 1.00 0.00 C ATOM 694 CD2 PHE A 43 1.658 1.163 -1.692 1.00 0.00 C ATOM 695 CE1 PHE A 43 3.959 2.653 -1.383 1.00 0.00 C ATOM 696 CE2 PHE A 43 2.289 1.695 -2.800 1.00 0.00 C ATOM 697 CZ PHE A 43 3.441 2.442 -2.645 1.00 0.00 C ATOM 0 H PHE A 43 1.587 2.226 3.184 1.00 0.00 H new ATOM 0 HA PHE A 43 0.007 2.349 0.686 1.00 0.00 H new ATOM 0 HB2 PHE A 43 2.232 0.480 1.509 1.00 0.00 H new ATOM 0 HB3 PHE A 43 0.941 -0.113 0.483 1.00 0.00 H new ATOM 0 HD1 PHE A 43 3.734 2.285 0.707 1.00 0.00 H new ATOM 0 HD2 PHE A 43 0.757 0.581 -1.819 1.00 0.00 H new ATOM 0 HE1 PHE A 43 4.859 3.236 -1.259 1.00 0.00 H new ATOM 0 HE2 PHE A 43 1.882 1.527 -3.786 1.00 0.00 H new ATOM 0 HZ PHE A 43 3.935 2.860 -3.510 1.00 0.00 H new ATOM 707 N VAL A 44 -1.750 0.874 1.639 1.00 0.00 N ATOM 708 CA VAL A 44 -2.851 0.153 2.266 1.00 0.00 C ATOM 709 C VAL A 44 -3.464 -0.859 1.305 1.00 0.00 C ATOM 710 O VAL A 44 -3.719 -0.549 0.140 1.00 0.00 O ATOM 711 CB VAL A 44 -3.950 1.117 2.750 1.00 0.00 C ATOM 712 CG1 VAL A 44 -5.231 0.356 3.057 1.00 0.00 C ATOM 713 CG2 VAL A 44 -3.477 1.896 3.968 1.00 0.00 C ATOM 0 H VAL A 44 -1.977 1.286 0.734 1.00 0.00 H new ATOM 0 HA VAL A 44 -2.436 -0.373 3.126 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.162 1.829 1.952 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -5.996 1.054 3.398 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.578 -0.151 2.157 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -5.039 -0.381 3.837 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -4.266 2.572 4.296 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.236 1.202 4.773 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -2.589 2.473 3.709 1.00 0.00 H new ATOM 723 N LEU A 45 -3.700 -2.069 1.799 1.00 0.00 N ATOM 724 CA LEU A 45 -4.285 -3.128 0.984 1.00 0.00 C ATOM 725 C LEU A 45 -5.768 -3.301 1.298 1.00 0.00 C ATOM 726 O LEU A 45 -6.133 -3.945 2.281 1.00 0.00 O ATOM 727 CB LEU A 45 -3.546 -4.446 1.217 1.00 0.00 C ATOM 728 CG LEU A 45 -3.507 -5.413 0.034 1.00 0.00 C ATOM 729 CD1 LEU A 45 -4.836 -6.139 -0.107 1.00 0.00 C ATOM 730 CD2 LEU A 45 -3.164 -4.671 -1.250 1.00 0.00 C ATOM 0 H LEU A 45 -3.495 -2.342 2.760 1.00 0.00 H new ATOM 0 HA LEU A 45 -4.185 -2.843 -0.063 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -2.521 -4.218 1.507 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -4.011 -4.955 2.061 1.00 0.00 H new ATOM 0 HG LEU A 45 -2.730 -6.154 0.221 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -4.789 -6.823 -0.954 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -5.041 -6.703 0.803 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -5.632 -5.412 -0.271 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -3.141 -5.375 -2.082 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -3.918 -3.908 -1.442 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -2.187 -4.198 -1.147 1.00 0.00 H new ATOM 742 N SER A 46 -6.617 -2.722 0.455 1.00 0.00 N ATOM 743 CA SER A 46 -8.061 -2.811 0.644 1.00 0.00 C ATOM 744 C SER A 46 -8.768 -3.055 -0.686 1.00 0.00 C ATOM 745 O SER A 46 -8.237 -2.741 -1.751 1.00 0.00 O ATOM 746 CB SER A 46 -8.592 -1.529 1.289 1.00 0.00 C ATOM 747 OG SER A 46 -8.917 -0.561 0.307 1.00 0.00 O ATOM 0 H SER A 46 -6.331 -2.187 -0.365 1.00 0.00 H new ATOM 0 HA SER A 46 -8.265 -3.653 1.305 1.00 0.00 H new ATOM 0 HB2 SER A 46 -9.475 -1.757 1.886 1.00 0.00 H new ATOM 0 HB3 SER A 46 -7.844 -1.124 1.970 1.00 0.00 H new ATOM 0 HG SER A 46 -8.126 -0.372 -0.240 1.00 0.00 H new ATOM 753 N ASP A 47 -9.970 -3.617 -0.615 1.00 0.00 N ATOM 754 CA ASP A 47 -10.752 -3.903 -1.812 1.00 0.00 C ATOM 755 C ASP A 47 -9.873 -4.501 -2.906 1.00 0.00 C ATOM 756 O ASP A 47 -9.953 -4.102 -4.068 1.00 0.00 O ATOM 757 CB ASP A 47 -11.428 -2.629 -2.322 1.00 0.00 C ATOM 758 CG ASP A 47 -12.343 -2.893 -3.501 1.00 0.00 C ATOM 759 OD1 ASP A 47 -13.390 -3.544 -3.305 1.00 0.00 O ATOM 760 OD2 ASP A 47 -12.013 -2.447 -4.620 1.00 0.00 O ATOM 0 H ASP A 47 -10.424 -3.883 0.259 1.00 0.00 H new ATOM 0 HA ASP A 47 -11.519 -4.632 -1.549 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -12.003 -2.177 -1.513 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -10.665 -1.907 -2.612 1.00 0.00 H new ATOM 765 N LEU A 48 -9.033 -5.457 -2.526 1.00 0.00 N ATOM 766 CA LEU A 48 -8.137 -6.109 -3.474 1.00 0.00 C ATOM 767 C LEU A 48 -7.487 -5.087 -4.401 1.00 0.00 C ATOM 768 O LEU A 48 -7.398 -5.299 -5.611 1.00 0.00 O ATOM 769 CB LEU A 48 -8.901 -7.147 -4.297 1.00 0.00 C ATOM 770 CG LEU A 48 -9.626 -8.234 -3.502 1.00 0.00 C ATOM 771 CD1 LEU A 48 -11.047 -7.800 -3.177 1.00 0.00 C ATOM 772 CD2 LEU A 48 -9.629 -9.546 -4.272 1.00 0.00 C ATOM 0 H LEU A 48 -8.954 -5.798 -1.568 1.00 0.00 H new ATOM 0 HA LEU A 48 -7.352 -6.610 -2.908 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -9.634 -6.625 -4.912 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -8.199 -7.630 -4.977 1.00 0.00 H new ATOM 0 HG LEU A 48 -9.092 -8.388 -2.564 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -11.547 -8.586 -2.611 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -11.022 -6.886 -2.584 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -11.592 -7.617 -4.103 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -10.149 -10.308 -3.691 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -10.138 -9.407 -5.226 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -8.602 -9.865 -4.452 1.00 0.00 H new ATOM 784 N CYS A 49 -7.032 -3.980 -3.825 1.00 0.00 N ATOM 785 CA CYS A 49 -6.388 -2.924 -4.600 1.00 0.00 C ATOM 786 C CYS A 49 -5.283 -2.254 -3.791 1.00 0.00 C ATOM 787 O CYS A 49 -5.193 -2.431 -2.575 1.00 0.00 O ATOM 788 CB CYS A 49 -7.419 -1.884 -5.038 1.00 0.00 C ATOM 789 SG CYS A 49 -6.851 -0.794 -6.365 1.00 0.00 S ATOM 0 H CYS A 49 -7.097 -3.790 -2.825 1.00 0.00 H new ATOM 0 HA CYS A 49 -5.941 -3.377 -5.485 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -8.322 -2.399 -5.367 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -7.695 -1.276 -4.176 1.00 0.00 H new ATOM 0 HG CYS A 49 -5.788 -1.300 -6.917 1.00 0.00 H new ATOM 795 N LEU A 50 -4.442 -1.484 -4.473 1.00 0.00 N ATOM 796 CA LEU A 50 -3.340 -0.787 -3.818 1.00 0.00 C ATOM 797 C LEU A 50 -3.612 0.712 -3.742 1.00 0.00 C ATOM 798 O LEU A 50 -3.888 1.355 -4.755 1.00 0.00 O ATOM 799 CB LEU A 50 -2.031 -1.042 -4.569 1.00 0.00 C ATOM 800 CG LEU A 50 -1.222 -2.257 -4.113 1.00 0.00 C ATOM 801 CD1 LEU A 50 0.003 -2.444 -4.994 1.00 0.00 C ATOM 802 CD2 LEU A 50 -0.814 -2.109 -2.654 1.00 0.00 C ATOM 0 H LEU A 50 -4.502 -1.326 -5.479 1.00 0.00 H new ATOM 0 HA LEU A 50 -3.251 -1.173 -2.803 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -2.260 -1.160 -5.628 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -1.403 -0.156 -4.475 1.00 0.00 H new ATOM 0 HG LEU A 50 -1.850 -3.143 -4.206 1.00 0.00 H new ATOM 0 HD11 LEU A 50 0.566 -3.313 -4.654 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -0.311 -2.596 -6.027 1.00 0.00 H new ATOM 0 HD13 LEU A 50 0.633 -1.557 -4.934 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -0.239 -2.983 -2.347 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -0.204 -1.213 -2.536 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -1.706 -2.025 -2.033 1.00 0.00 H new ATOM 814 N PHE A 51 -3.530 1.262 -2.536 1.00 0.00 N ATOM 815 CA PHE A 51 -3.767 2.686 -2.328 1.00 0.00 C ATOM 816 C PHE A 51 -2.615 3.321 -1.554 1.00 0.00 C ATOM 817 O PHE A 51 -2.077 2.726 -0.620 1.00 0.00 O ATOM 818 CB PHE A 51 -5.081 2.902 -1.575 1.00 0.00 C ATOM 819 CG PHE A 51 -6.286 2.397 -2.317 1.00 0.00 C ATOM 820 CD1 PHE A 51 -6.762 3.069 -3.431 1.00 0.00 C ATOM 821 CD2 PHE A 51 -6.942 1.250 -1.899 1.00 0.00 C ATOM 822 CE1 PHE A 51 -7.871 2.607 -4.116 1.00 0.00 C ATOM 823 CE2 PHE A 51 -8.051 0.783 -2.580 1.00 0.00 C ATOM 824 CZ PHE A 51 -8.516 1.463 -3.689 1.00 0.00 C ATOM 0 H PHE A 51 -3.301 0.744 -1.688 1.00 0.00 H new ATOM 0 HA PHE A 51 -3.834 3.164 -3.305 1.00 0.00 H new ATOM 0 HB2 PHE A 51 -5.023 2.402 -0.608 1.00 0.00 H new ATOM 0 HB3 PHE A 51 -5.206 3.966 -1.376 1.00 0.00 H new ATOM 0 HD1 PHE A 51 -6.261 3.964 -3.769 1.00 0.00 H new ATOM 0 HD2 PHE A 51 -6.583 0.715 -1.032 1.00 0.00 H new ATOM 0 HE1 PHE A 51 -8.232 3.140 -4.983 1.00 0.00 H new ATOM 0 HE2 PHE A 51 -8.553 -0.113 -2.245 1.00 0.00 H new ATOM 0 HZ PHE A 51 -9.383 1.100 -4.221 1.00 0.00 H new ATOM 834 N TYR A 52 -2.242 4.533 -1.950 1.00 0.00 N ATOM 835 CA TYR A 52 -1.152 5.248 -1.296 1.00 0.00 C ATOM 836 C TYR A 52 -1.519 6.712 -1.071 1.00 0.00 C ATOM 837 O TYR A 52 -2.286 7.297 -1.837 1.00 0.00 O ATOM 838 CB TYR A 52 0.123 5.155 -2.136 1.00 0.00 C ATOM 839 CG TYR A 52 -0.102 5.408 -3.609 1.00 0.00 C ATOM 840 CD1 TYR A 52 -0.438 6.674 -4.073 1.00 0.00 C ATOM 841 CD2 TYR A 52 0.021 4.382 -4.538 1.00 0.00 C ATOM 842 CE1 TYR A 52 -0.645 6.911 -5.418 1.00 0.00 C ATOM 843 CE2 TYR A 52 -0.183 4.610 -5.885 1.00 0.00 C ATOM 844 CZ TYR A 52 -0.516 5.875 -6.320 1.00 0.00 C ATOM 845 OH TYR A 52 -0.721 6.106 -7.661 1.00 0.00 O ATOM 0 H TYR A 52 -2.678 5.041 -2.720 1.00 0.00 H new ATOM 0 HA TYR A 52 -0.976 4.782 -0.326 1.00 0.00 H new ATOM 0 HB2 TYR A 52 0.849 5.875 -1.759 1.00 0.00 H new ATOM 0 HB3 TYR A 52 0.560 4.165 -2.009 1.00 0.00 H new ATOM 0 HD1 TYR A 52 -0.539 7.487 -3.369 1.00 0.00 H new ATOM 0 HD2 TYR A 52 0.281 3.389 -4.201 1.00 0.00 H new ATOM 0 HE1 TYR A 52 -0.906 7.901 -5.761 1.00 0.00 H new ATOM 0 HE2 TYR A 52 -0.082 3.801 -6.594 1.00 0.00 H new ATOM 0 HH TYR A 52 -0.590 5.273 -8.160 1.00 0.00 H new ATOM 855 N TYR A 53 -0.966 7.298 -0.014 1.00 0.00 N ATOM 856 CA TYR A 53 -1.236 8.692 0.315 1.00 0.00 C ATOM 857 C TYR A 53 0.047 9.415 0.715 1.00 0.00 C ATOM 858 O TYR A 53 0.976 8.807 1.245 1.00 0.00 O ATOM 859 CB TYR A 53 -2.260 8.782 1.448 1.00 0.00 C ATOM 860 CG TYR A 53 -3.221 7.615 1.489 1.00 0.00 C ATOM 861 CD1 TYR A 53 -2.774 6.332 1.778 1.00 0.00 C ATOM 862 CD2 TYR A 53 -4.576 7.797 1.241 1.00 0.00 C ATOM 863 CE1 TYR A 53 -3.649 5.263 1.816 1.00 0.00 C ATOM 864 CE2 TYR A 53 -5.458 6.735 1.278 1.00 0.00 C ATOM 865 CZ TYR A 53 -4.990 5.470 1.566 1.00 0.00 C ATOM 866 OH TYR A 53 -5.864 4.408 1.604 1.00 0.00 O ATOM 0 H TYR A 53 -0.328 6.829 0.629 1.00 0.00 H new ATOM 0 HA TYR A 53 -1.643 9.176 -0.573 1.00 0.00 H new ATOM 0 HB2 TYR A 53 -1.732 8.841 2.400 1.00 0.00 H new ATOM 0 HB3 TYR A 53 -2.828 9.706 1.341 1.00 0.00 H new ATOM 0 HD1 TYR A 53 -1.725 6.167 1.976 1.00 0.00 H new ATOM 0 HD2 TYR A 53 -4.946 8.786 1.015 1.00 0.00 H new ATOM 0 HE1 TYR A 53 -3.285 4.271 2.040 1.00 0.00 H new ATOM 0 HE2 TYR A 53 -6.508 6.894 1.083 1.00 0.00 H new ATOM 0 HH TYR A 53 -6.771 4.723 1.407 1.00 0.00 H new ATOM 876 N ARG A 54 0.089 10.718 0.457 1.00 0.00 N ATOM 877 CA ARG A 54 1.256 11.526 0.789 1.00 0.00 C ATOM 878 C ARG A 54 1.932 11.009 2.056 1.00 0.00 C ATOM 879 O ARG A 54 3.157 11.039 2.174 1.00 0.00 O ATOM 880 CB ARG A 54 0.854 12.990 0.972 1.00 0.00 C ATOM 881 CG ARG A 54 -0.303 13.420 0.086 1.00 0.00 C ATOM 882 CD ARG A 54 -1.635 13.294 0.810 1.00 0.00 C ATOM 883 NE ARG A 54 -2.617 14.258 0.320 1.00 0.00 N ATOM 884 CZ ARG A 54 -2.649 15.531 0.699 1.00 0.00 C ATOM 885 NH1 ARG A 54 -1.758 15.991 1.567 1.00 0.00 N ATOM 886 NH2 ARG A 54 -3.573 16.348 0.209 1.00 0.00 N ATOM 0 H ARG A 54 -0.672 11.237 0.019 1.00 0.00 H new ATOM 0 HA ARG A 54 1.965 11.452 -0.036 1.00 0.00 H new ATOM 0 HB2 ARG A 54 0.583 13.156 2.015 1.00 0.00 H new ATOM 0 HB3 ARG A 54 1.716 13.623 0.762 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -0.156 14.452 -0.231 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -0.319 12.809 -0.816 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -2.023 12.284 0.682 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -1.482 13.443 1.879 1.00 0.00 H new ATOM 0 HE ARG A 54 -3.316 13.936 -0.349 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -1.046 15.367 1.946 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -1.785 16.969 1.856 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -4.260 15.999 -0.459 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -3.596 17.325 0.501 1.00 0.00 H new ATOM 900 N ASP A 55 1.125 10.537 3.000 1.00 0.00 N ATOM 901 CA ASP A 55 1.644 10.014 4.258 1.00 0.00 C ATOM 902 C ASP A 55 0.550 9.295 5.040 1.00 0.00 C ATOM 903 O ASP A 55 -0.603 9.249 4.613 1.00 0.00 O ATOM 904 CB ASP A 55 2.232 11.146 5.102 1.00 0.00 C ATOM 905 CG ASP A 55 1.473 12.448 4.934 1.00 0.00 C ATOM 906 OD1 ASP A 55 0.358 12.416 4.371 1.00 0.00 O ATOM 907 OD2 ASP A 55 1.993 13.498 5.364 1.00 0.00 O ATOM 0 H ASP A 55 0.109 10.506 2.918 1.00 0.00 H new ATOM 0 HA ASP A 55 2.432 9.297 4.027 1.00 0.00 H new ATOM 0 HB2 ASP A 55 2.221 10.855 6.152 1.00 0.00 H new ATOM 0 HB3 ASP A 55 3.275 11.298 4.824 1.00 0.00 H new ATOM 912 N GLU A 56 0.920 8.734 6.187 1.00 0.00 N ATOM 913 CA GLU A 56 -0.030 8.016 7.028 1.00 0.00 C ATOM 914 C GLU A 56 -1.340 8.789 7.152 1.00 0.00 C ATOM 915 O GLU A 56 -2.414 8.200 7.275 1.00 0.00 O ATOM 916 CB GLU A 56 0.565 7.773 8.416 1.00 0.00 C ATOM 917 CG GLU A 56 1.109 9.030 9.074 1.00 0.00 C ATOM 918 CD GLU A 56 1.134 8.933 10.587 1.00 0.00 C ATOM 919 OE1 GLU A 56 1.957 8.157 11.117 1.00 0.00 O ATOM 920 OE2 GLU A 56 0.332 9.631 11.240 1.00 0.00 O ATOM 0 H GLU A 56 1.871 8.763 6.555 1.00 0.00 H new ATOM 0 HA GLU A 56 -0.238 7.055 6.557 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -0.200 7.339 9.059 1.00 0.00 H new ATOM 0 HB3 GLU A 56 1.367 7.039 8.335 1.00 0.00 H new ATOM 0 HG2 GLU A 56 2.119 9.219 8.709 1.00 0.00 H new ATOM 0 HG3 GLU A 56 0.499 9.883 8.779 1.00 0.00 H new ATOM 927 N LYS A 57 -1.243 10.114 7.119 1.00 0.00 N ATOM 928 CA LYS A 57 -2.418 10.971 7.226 1.00 0.00 C ATOM 929 C LYS A 57 -3.579 10.406 6.415 1.00 0.00 C ATOM 930 O LYS A 57 -4.744 10.619 6.750 1.00 0.00 O ATOM 931 CB LYS A 57 -2.088 12.386 6.748 1.00 0.00 C ATOM 932 CG LYS A 57 -1.328 13.212 7.771 1.00 0.00 C ATOM 933 CD LYS A 57 -1.622 14.696 7.619 1.00 0.00 C ATOM 934 CE LYS A 57 -0.703 15.538 8.491 1.00 0.00 C ATOM 935 NZ LYS A 57 -0.965 16.994 8.328 1.00 0.00 N ATOM 0 H LYS A 57 -0.362 10.618 7.019 1.00 0.00 H new ATOM 0 HA LYS A 57 -2.715 11.009 8.274 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.498 12.323 5.834 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -3.015 12.900 6.495 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -1.599 12.888 8.776 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -0.258 13.039 7.658 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.502 14.987 6.575 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.660 14.892 7.887 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -0.838 15.259 9.536 1.00 0.00 H new ATOM 0 HE3 LYS A 57 0.335 15.325 8.236 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.319 17.534 8.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.811 17.265 7.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -1.948 17.202 8.596 1.00 0.00 H new ATOM 949 N GLU A 58 -3.253 9.683 5.347 1.00 0.00 N ATOM 950 CA GLU A 58 -4.271 9.088 4.489 1.00 0.00 C ATOM 951 C GLU A 58 -5.169 10.162 3.883 1.00 0.00 C ATOM 952 O GLU A 58 -6.386 9.999 3.810 1.00 0.00 O ATOM 953 CB GLU A 58 -5.116 8.088 5.281 1.00 0.00 C ATOM 954 CG GLU A 58 -4.489 6.708 5.386 1.00 0.00 C ATOM 955 CD GLU A 58 -5.350 5.733 6.163 1.00 0.00 C ATOM 956 OE1 GLU A 58 -6.512 5.516 5.759 1.00 0.00 O ATOM 957 OE2 GLU A 58 -4.864 5.186 7.175 1.00 0.00 O ATOM 0 H GLU A 58 -2.293 9.496 5.056 1.00 0.00 H new ATOM 0 HA GLU A 58 -3.765 8.564 3.679 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -5.281 8.480 6.285 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -6.094 7.998 4.809 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -4.315 6.315 4.384 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -3.515 6.791 5.869 1.00 0.00 H new ATOM 964 N GLU A 59 -4.558 11.262 3.452 1.00 0.00 N ATOM 965 CA GLU A 59 -5.303 12.364 2.854 1.00 0.00 C ATOM 966 C GLU A 59 -5.730 12.022 1.430 1.00 0.00 C ATOM 967 O GLU A 59 -5.504 10.911 0.952 1.00 0.00 O ATOM 968 CB GLU A 59 -4.456 13.638 2.852 1.00 0.00 C ATOM 969 CG GLU A 59 -4.621 14.480 4.106 1.00 0.00 C ATOM 970 CD GLU A 59 -3.468 15.443 4.318 1.00 0.00 C ATOM 971 OE1 GLU A 59 -2.315 14.975 4.421 1.00 0.00 O ATOM 972 OE2 GLU A 59 -3.720 16.664 4.381 1.00 0.00 O ATOM 0 H GLU A 59 -3.551 11.413 3.506 1.00 0.00 H new ATOM 0 HA GLU A 59 -6.198 12.532 3.453 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -3.406 13.366 2.743 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -4.722 14.240 1.983 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -5.552 15.043 4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 59 -4.705 13.823 4.972 1.00 0.00 H new ATOM 979 N GLY A 60 -6.352 12.986 0.757 1.00 0.00 N ATOM 980 CA GLY A 60 -6.803 12.768 -0.605 1.00 0.00 C ATOM 981 C GLY A 60 -5.865 11.872 -1.389 1.00 0.00 C ATOM 982 O GLY A 60 -4.800 12.308 -1.826 1.00 0.00 O ATOM 0 H GLY A 60 -6.551 13.914 1.131 1.00 0.00 H new ATOM 0 HA2 GLY A 60 -7.797 12.322 -0.588 1.00 0.00 H new ATOM 0 HA3 GLY A 60 -6.893 13.728 -1.113 1.00 0.00 H new ATOM 986 N ILE A 61 -6.261 10.616 -1.568 1.00 0.00 N ATOM 987 CA ILE A 61 -5.447 9.657 -2.304 1.00 0.00 C ATOM 988 C ILE A 61 -4.812 10.302 -3.531 1.00 0.00 C ATOM 989 O ILE A 61 -5.476 11.015 -4.286 1.00 0.00 O ATOM 990 CB ILE A 61 -6.279 8.440 -2.751 1.00 0.00 C ATOM 991 CG1 ILE A 61 -6.901 7.746 -1.537 1.00 0.00 C ATOM 992 CG2 ILE A 61 -5.413 7.467 -3.537 1.00 0.00 C ATOM 993 CD1 ILE A 61 -7.714 6.521 -1.892 1.00 0.00 C ATOM 0 H ILE A 61 -7.140 10.239 -1.214 1.00 0.00 H new ATOM 0 HA ILE A 61 -4.662 9.322 -1.625 1.00 0.00 H new ATOM 0 HB ILE A 61 -7.083 8.787 -3.400 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -6.108 7.458 -0.847 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -7.539 8.456 -1.010 1.00 0.00 H new ATOM 0 HG21 ILE A 61 -6.015 6.612 -3.846 1.00 0.00 H new ATOM 0 HG22 ILE A 61 -5.013 7.967 -4.419 1.00 0.00 H new ATOM 0 HG23 ILE A 61 -4.590 7.124 -2.910 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -8.124 6.081 -0.983 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -8.529 6.806 -2.557 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -7.075 5.793 -2.392 1.00 0.00 H new ATOM 1005 N LEU A 62 -3.523 10.047 -3.726 1.00 0.00 N ATOM 1006 CA LEU A 62 -2.797 10.602 -4.864 1.00 0.00 C ATOM 1007 C LEU A 62 -2.979 9.731 -6.103 1.00 0.00 C ATOM 1008 O LEU A 62 -2.974 10.227 -7.229 1.00 0.00 O ATOM 1009 CB LEU A 62 -1.310 10.731 -4.531 1.00 0.00 C ATOM 1010 CG LEU A 62 -0.973 11.049 -3.073 1.00 0.00 C ATOM 1011 CD1 LEU A 62 0.509 11.350 -2.921 1.00 0.00 C ATOM 1012 CD2 LEU A 62 -1.811 12.217 -2.575 1.00 0.00 C ATOM 0 H LEU A 62 -2.959 9.460 -3.112 1.00 0.00 H new ATOM 0 HA LEU A 62 -3.203 11.591 -5.075 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -0.815 9.798 -4.802 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -0.884 11.512 -5.160 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.208 10.174 -2.466 1.00 0.00 H new ATOM 0 HD11 LEU A 62 0.730 11.574 -1.877 1.00 0.00 H new ATOM 0 HD12 LEU A 62 1.090 10.484 -3.237 1.00 0.00 H new ATOM 0 HD13 LEU A 62 0.771 12.208 -3.539 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.558 12.429 -1.536 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.608 13.097 -3.185 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -2.868 11.963 -2.646 1.00 0.00 H new ATOM 1024 N GLY A 63 -3.141 8.429 -5.887 1.00 0.00 N ATOM 1025 CA GLY A 63 -3.325 7.510 -6.995 1.00 0.00 C ATOM 1026 C GLY A 63 -3.530 6.081 -6.535 1.00 0.00 C ATOM 1027 O GLY A 63 -2.978 5.664 -5.517 1.00 0.00 O ATOM 0 H GLY A 63 -3.148 7.994 -4.964 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -4.185 7.825 -7.585 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -2.455 7.556 -7.650 1.00 0.00 H new ATOM 1031 N SER A 64 -4.327 5.328 -7.286 1.00 0.00 N ATOM 1032 CA SER A 64 -4.609 3.938 -6.946 1.00 0.00 C ATOM 1033 C SER A 64 -3.891 2.989 -7.901 1.00 0.00 C ATOM 1034 O SER A 64 -3.472 3.386 -8.989 1.00 0.00 O ATOM 1035 CB SER A 64 -6.116 3.676 -6.986 1.00 0.00 C ATOM 1036 OG SER A 64 -6.685 4.156 -8.192 1.00 0.00 O ATOM 0 H SER A 64 -4.789 5.657 -8.134 1.00 0.00 H new ATOM 0 HA SER A 64 -4.243 3.756 -5.936 1.00 0.00 H new ATOM 0 HB2 SER A 64 -6.305 2.607 -6.891 1.00 0.00 H new ATOM 0 HB3 SER A 64 -6.595 4.161 -6.136 1.00 0.00 H new ATOM 0 HG SER A 64 -7.648 3.975 -8.194 1.00 0.00 H new ATOM 1042 N ILE A 65 -3.753 1.735 -7.486 1.00 0.00 N ATOM 1043 CA ILE A 65 -3.087 0.729 -8.304 1.00 0.00 C ATOM 1044 C ILE A 65 -3.869 -0.580 -8.312 1.00 0.00 C ATOM 1045 O ILE A 65 -4.139 -1.161 -7.260 1.00 0.00 O ATOM 1046 CB ILE A 65 -1.656 0.455 -7.806 1.00 0.00 C ATOM 1047 CG1 ILE A 65 -0.727 1.607 -8.197 1.00 0.00 C ATOM 1048 CG2 ILE A 65 -1.141 -0.861 -8.368 1.00 0.00 C ATOM 1049 CD1 ILE A 65 0.632 1.538 -7.537 1.00 0.00 C ATOM 0 H ILE A 65 -4.093 1.391 -6.588 1.00 0.00 H new ATOM 0 HA ILE A 65 -3.040 1.128 -9.317 1.00 0.00 H new ATOM 0 HB ILE A 65 -1.675 0.380 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -0.597 1.607 -9.279 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -1.202 2.552 -7.933 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -0.128 -1.040 -8.006 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -1.791 -1.674 -8.044 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -1.134 -0.814 -9.457 1.00 0.00 H new ATOM 0 HD11 ILE A 65 1.237 2.385 -7.860 1.00 0.00 H new ATOM 0 HD12 ILE A 65 0.513 1.569 -6.454 1.00 0.00 H new ATOM 0 HD13 ILE A 65 1.128 0.610 -7.821 1.00 0.00 H new ATOM 1061 N LEU A 66 -4.231 -1.040 -9.504 1.00 0.00 N ATOM 1062 CA LEU A 66 -4.981 -2.282 -9.650 1.00 0.00 C ATOM 1063 C LEU A 66 -4.051 -3.490 -9.599 1.00 0.00 C ATOM 1064 O LEU A 66 -3.204 -3.672 -10.475 1.00 0.00 O ATOM 1065 CB LEU A 66 -5.760 -2.279 -10.967 1.00 0.00 C ATOM 1066 CG LEU A 66 -7.170 -1.690 -10.911 1.00 0.00 C ATOM 1067 CD1 LEU A 66 -8.045 -2.490 -9.959 1.00 0.00 C ATOM 1068 CD2 LEU A 66 -7.121 -0.228 -10.493 1.00 0.00 C ATOM 0 H LEU A 66 -4.017 -0.571 -10.384 1.00 0.00 H new ATOM 0 HA LEU A 66 -5.683 -2.353 -8.819 1.00 0.00 H new ATOM 0 HB2 LEU A 66 -5.184 -1.721 -11.705 1.00 0.00 H new ATOM 0 HB3 LEU A 66 -5.831 -3.306 -11.327 1.00 0.00 H new ATOM 0 HG LEU A 66 -7.607 -1.747 -11.908 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -9.045 -2.056 -9.932 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -8.107 -3.523 -10.302 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -7.612 -2.465 -8.959 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -8.133 0.175 -10.459 1.00 0.00 H new ATOM 0 HD22 LEU A 66 -6.664 -0.147 -9.507 1.00 0.00 H new ATOM 0 HD23 LEU A 66 -6.530 0.337 -11.214 1.00 0.00 H new ATOM 1080 N LEU A 67 -4.215 -4.313 -8.570 1.00 0.00 N ATOM 1081 CA LEU A 67 -3.391 -5.506 -8.406 1.00 0.00 C ATOM 1082 C LEU A 67 -3.841 -6.613 -9.353 1.00 0.00 C ATOM 1083 O LEU A 67 -3.029 -7.308 -9.966 1.00 0.00 O ATOM 1084 CB LEU A 67 -3.456 -6.000 -6.959 1.00 0.00 C ATOM 1085 CG LEU A 67 -2.520 -5.303 -5.970 1.00 0.00 C ATOM 1086 CD1 LEU A 67 -2.893 -5.663 -4.540 1.00 0.00 C ATOM 1087 CD2 LEU A 67 -1.072 -5.673 -6.255 1.00 0.00 C ATOM 0 H LEU A 67 -4.911 -4.177 -7.837 1.00 0.00 H new ATOM 0 HA LEU A 67 -2.361 -5.242 -8.648 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -4.480 -5.885 -6.602 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -3.233 -7.067 -6.950 1.00 0.00 H new ATOM 0 HG LEU A 67 -2.629 -4.225 -6.092 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -2.217 -5.159 -3.850 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -3.917 -5.347 -4.341 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -2.813 -6.741 -4.404 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -0.420 -5.168 -5.542 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -0.947 -6.752 -6.160 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -0.810 -5.365 -7.267 1.00 0.00 H new ATOM 1099 N PRO A 68 -5.165 -6.783 -9.479 1.00 0.00 N ATOM 1100 CA PRO A 68 -5.753 -7.803 -10.353 1.00 0.00 C ATOM 1101 C PRO A 68 -5.133 -7.800 -11.746 1.00 0.00 C ATOM 1102 O PRO A 68 -5.153 -8.812 -12.447 1.00 0.00 O ATOM 1103 CB PRO A 68 -7.229 -7.401 -10.424 1.00 0.00 C ATOM 1104 CG PRO A 68 -7.479 -6.655 -9.159 1.00 0.00 C ATOM 1105 CD PRO A 68 -6.191 -5.992 -8.779 1.00 0.00 C ATOM 0 HA PRO A 68 -5.589 -8.811 -9.971 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -7.428 -6.779 -11.297 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -7.874 -8.276 -10.502 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -8.267 -5.915 -9.297 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -7.811 -7.332 -8.372 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -6.172 -4.948 -9.091 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -6.038 -6.005 -7.700 1.00 0.00 H new ATOM 1113 N SER A 69 -4.583 -6.656 -12.142 1.00 0.00 N ATOM 1114 CA SER A 69 -3.960 -6.521 -13.453 1.00 0.00 C ATOM 1115 C SER A 69 -2.459 -6.780 -13.371 1.00 0.00 C ATOM 1116 O SER A 69 -1.819 -7.116 -14.368 1.00 0.00 O ATOM 1117 CB SER A 69 -4.217 -5.125 -14.022 1.00 0.00 C ATOM 1118 OG SER A 69 -3.838 -4.119 -13.098 1.00 0.00 O ATOM 0 H SER A 69 -4.556 -5.810 -11.573 1.00 0.00 H new ATOM 0 HA SER A 69 -4.404 -7.264 -14.116 1.00 0.00 H new ATOM 0 HB2 SER A 69 -3.660 -4.999 -14.950 1.00 0.00 H new ATOM 0 HB3 SER A 69 -5.274 -5.018 -14.268 1.00 0.00 H new ATOM 0 HG SER A 69 -4.522 -3.417 -13.080 1.00 0.00 H new ATOM 1124 N PHE A 70 -1.902 -6.623 -12.174 1.00 0.00 N ATOM 1125 CA PHE A 70 -0.476 -6.838 -11.960 1.00 0.00 C ATOM 1126 C PHE A 70 -0.175 -8.319 -11.750 1.00 0.00 C ATOM 1127 O PHE A 70 -1.054 -9.094 -11.373 1.00 0.00 O ATOM 1128 CB PHE A 70 0.007 -6.032 -10.753 1.00 0.00 C ATOM 1129 CG PHE A 70 0.498 -4.657 -11.107 1.00 0.00 C ATOM 1130 CD1 PHE A 70 1.606 -4.492 -11.922 1.00 0.00 C ATOM 1131 CD2 PHE A 70 -0.149 -3.531 -10.626 1.00 0.00 C ATOM 1132 CE1 PHE A 70 2.060 -3.228 -12.249 1.00 0.00 C ATOM 1133 CE2 PHE A 70 0.300 -2.264 -10.950 1.00 0.00 C ATOM 1134 CZ PHE A 70 1.406 -2.113 -11.764 1.00 0.00 C ATOM 0 H PHE A 70 -2.417 -6.348 -11.338 1.00 0.00 H new ATOM 0 HA PHE A 70 0.055 -6.500 -12.850 1.00 0.00 H new ATOM 0 HB2 PHE A 70 -0.809 -5.944 -10.035 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.809 -6.579 -10.258 1.00 0.00 H new ATOM 0 HD1 PHE A 70 2.121 -5.360 -12.306 1.00 0.00 H new ATOM 0 HD2 PHE A 70 -1.015 -3.644 -9.990 1.00 0.00 H new ATOM 0 HE1 PHE A 70 2.926 -3.113 -12.884 1.00 0.00 H new ATOM 0 HE2 PHE A 70 -0.213 -1.394 -10.567 1.00 0.00 H new ATOM 0 HZ PHE A 70 1.758 -1.125 -12.020 1.00 0.00 H new ATOM 1144 N GLN A 71 1.072 -8.704 -11.998 1.00 0.00 N ATOM 1145 CA GLN A 71 1.489 -10.093 -11.837 1.00 0.00 C ATOM 1146 C GLN A 71 2.626 -10.206 -10.828 1.00 0.00 C ATOM 1147 O GLN A 71 3.766 -9.841 -11.119 1.00 0.00 O ATOM 1148 CB GLN A 71 1.925 -10.675 -13.183 1.00 0.00 C ATOM 1149 CG GLN A 71 2.974 -11.768 -13.061 1.00 0.00 C ATOM 1150 CD GLN A 71 3.094 -12.605 -14.319 1.00 0.00 C ATOM 1151 OE1 GLN A 71 2.312 -13.531 -14.540 1.00 0.00 O ATOM 1152 NE2 GLN A 71 4.075 -12.283 -15.154 1.00 0.00 N ATOM 0 H GLN A 71 1.811 -8.075 -12.311 1.00 0.00 H new ATOM 0 HA GLN A 71 0.638 -10.661 -11.462 1.00 0.00 H new ATOM 0 HB2 GLN A 71 1.051 -11.077 -13.696 1.00 0.00 H new ATOM 0 HB3 GLN A 71 2.319 -9.872 -13.806 1.00 0.00 H new ATOM 0 HG2 GLN A 71 3.940 -11.316 -12.837 1.00 0.00 H new ATOM 0 HG3 GLN A 71 2.722 -12.416 -12.221 1.00 0.00 H new ATOM 0 HE21 GLN A 71 4.700 -11.508 -14.932 1.00 0.00 H new ATOM 0 HE22 GLN A 71 4.203 -12.810 -16.018 1.00 0.00 H new ATOM 1161 N ILE A 72 2.310 -10.715 -9.642 1.00 0.00 N ATOM 1162 CA ILE A 72 3.306 -10.877 -8.590 1.00 0.00 C ATOM 1163 C ILE A 72 4.143 -12.132 -8.815 1.00 0.00 C ATOM 1164 O ILE A 72 3.618 -13.245 -8.836 1.00 0.00 O ATOM 1165 CB ILE A 72 2.649 -10.954 -7.200 1.00 0.00 C ATOM 1166 CG1 ILE A 72 1.438 -10.022 -7.132 1.00 0.00 C ATOM 1167 CG2 ILE A 72 3.658 -10.600 -6.117 1.00 0.00 C ATOM 1168 CD1 ILE A 72 1.759 -8.587 -7.485 1.00 0.00 C ATOM 0 H ILE A 72 1.372 -11.022 -9.385 1.00 0.00 H new ATOM 0 HA ILE A 72 3.952 -10.000 -8.629 1.00 0.00 H new ATOM 0 HB ILE A 72 2.308 -11.975 -7.032 1.00 0.00 H new ATOM 0 HG12 ILE A 72 0.668 -10.391 -7.809 1.00 0.00 H new ATOM 0 HG13 ILE A 72 1.020 -10.055 -6.126 1.00 0.00 H new ATOM 0 HG21 ILE A 72 3.179 -10.659 -5.140 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.493 -11.300 -6.154 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.026 -9.587 -6.280 1.00 0.00 H new ATOM 0 HD11 ILE A 72 0.854 -7.984 -7.416 1.00 0.00 H new ATOM 0 HD12 ILE A 72 2.507 -8.200 -6.792 1.00 0.00 H new ATOM 0 HD13 ILE A 72 2.148 -8.541 -8.502 1.00 0.00 H new ATOM 1180 N ALA A 73 5.448 -11.945 -8.981 1.00 0.00 N ATOM 1181 CA ALA A 73 6.359 -13.062 -9.200 1.00 0.00 C ATOM 1182 C ALA A 73 7.739 -12.765 -8.624 1.00 0.00 C ATOM 1183 O ALA A 73 8.285 -11.679 -8.821 1.00 0.00 O ATOM 1184 CB ALA A 73 6.461 -13.376 -10.685 1.00 0.00 C ATOM 0 H ALA A 73 5.898 -11.030 -8.968 1.00 0.00 H new ATOM 0 HA ALA A 73 5.958 -13.933 -8.682 1.00 0.00 H new ATOM 0 HB1 ALA A 73 7.144 -14.212 -10.834 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.476 -13.640 -11.070 1.00 0.00 H new ATOM 0 HB3 ALA A 73 6.836 -12.502 -11.217 1.00 0.00 H new ATOM 1190 N LEU A 74 8.299 -13.737 -7.912 1.00 0.00 N ATOM 1191 CA LEU A 74 9.617 -13.580 -7.307 1.00 0.00 C ATOM 1192 C LEU A 74 10.589 -12.923 -8.281 1.00 0.00 C ATOM 1193 O LEU A 74 10.505 -13.128 -9.493 1.00 0.00 O ATOM 1194 CB LEU A 74 10.162 -14.939 -6.864 1.00 0.00 C ATOM 1195 CG LEU A 74 9.449 -15.595 -5.681 1.00 0.00 C ATOM 1196 CD1 LEU A 74 10.421 -16.445 -4.877 1.00 0.00 C ATOM 1197 CD2 LEU A 74 8.803 -14.539 -4.796 1.00 0.00 C ATOM 0 H LEU A 74 7.861 -14.642 -7.740 1.00 0.00 H new ATOM 0 HA LEU A 74 9.514 -12.935 -6.435 1.00 0.00 H new ATOM 0 HB2 LEU A 74 10.116 -15.621 -7.713 1.00 0.00 H new ATOM 0 HB3 LEU A 74 11.215 -14.820 -6.607 1.00 0.00 H new ATOM 0 HG LEU A 74 8.665 -16.245 -6.069 1.00 0.00 H new ATOM 0 HD11 LEU A 74 9.896 -16.904 -4.039 1.00 0.00 H new ATOM 0 HD12 LEU A 74 10.837 -17.224 -5.515 1.00 0.00 H new ATOM 0 HD13 LEU A 74 11.228 -15.817 -4.499 1.00 0.00 H new ATOM 0 HD21 LEU A 74 8.300 -15.024 -3.959 1.00 0.00 H new ATOM 0 HD22 LEU A 74 9.570 -13.864 -4.417 1.00 0.00 H new ATOM 0 HD23 LEU A 74 8.076 -13.972 -5.377 1.00 0.00 H new ATOM 1209 N LEU A 75 11.514 -12.134 -7.745 1.00 0.00 N ATOM 1210 CA LEU A 75 12.504 -11.447 -8.567 1.00 0.00 C ATOM 1211 C LEU A 75 13.431 -12.447 -9.251 1.00 0.00 C ATOM 1212 O LEU A 75 13.629 -13.561 -8.764 1.00 0.00 O ATOM 1213 CB LEU A 75 13.323 -10.479 -7.711 1.00 0.00 C ATOM 1214 CG LEU A 75 12.536 -9.367 -7.017 1.00 0.00 C ATOM 1215 CD1 LEU A 75 13.482 -8.365 -6.374 1.00 0.00 C ATOM 1216 CD2 LEU A 75 11.611 -8.671 -8.006 1.00 0.00 C ATOM 0 H LEU A 75 11.599 -11.954 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 75 11.975 -10.884 -9.336 1.00 0.00 H new ATOM 0 HB2 LEU A 75 13.849 -11.055 -6.949 1.00 0.00 H new ATOM 0 HB3 LEU A 75 14.082 -10.019 -8.344 1.00 0.00 H new ATOM 0 HG LEU A 75 11.926 -9.815 -6.233 1.00 0.00 H new ATOM 0 HD11 LEU A 75 12.904 -7.581 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 75 14.103 -8.873 -5.636 1.00 0.00 H new ATOM 0 HD13 LEU A 75 14.119 -7.922 -7.140 1.00 0.00 H new ATOM 0 HD21 LEU A 75 11.059 -7.883 -7.495 1.00 0.00 H new ATOM 0 HD22 LEU A 75 12.202 -8.236 -8.812 1.00 0.00 H new ATOM 0 HD23 LEU A 75 10.910 -9.395 -8.420 1.00 0.00 H new ATOM 1377 N TYR A 85 13.946 -10.739 -0.088 1.00 0.00 N ATOM 1378 CA TYR A 85 12.711 -10.281 0.538 1.00 0.00 C ATOM 1379 C TYR A 85 12.038 -9.204 -0.308 1.00 0.00 C ATOM 1380 O TYR A 85 11.528 -8.215 0.217 1.00 0.00 O ATOM 1381 CB TYR A 85 12.995 -9.740 1.940 1.00 0.00 C ATOM 1382 CG TYR A 85 13.653 -10.748 2.856 1.00 0.00 C ATOM 1383 CD1 TYR A 85 14.971 -11.140 2.656 1.00 0.00 C ATOM 1384 CD2 TYR A 85 12.956 -11.309 3.919 1.00 0.00 C ATOM 1385 CE1 TYR A 85 15.576 -12.061 3.490 1.00 0.00 C ATOM 1386 CE2 TYR A 85 13.554 -12.229 4.758 1.00 0.00 C ATOM 1387 CZ TYR A 85 14.863 -12.602 4.539 1.00 0.00 C ATOM 1388 OH TYR A 85 15.462 -13.520 5.372 1.00 0.00 O ATOM 0 HA TYR A 85 12.035 -11.133 0.614 1.00 0.00 H new ATOM 0 HB2 TYR A 85 13.636 -8.862 1.859 1.00 0.00 H new ATOM 0 HB3 TYR A 85 12.059 -9.410 2.390 1.00 0.00 H new ATOM 0 HD1 TYR A 85 15.532 -10.718 1.835 1.00 0.00 H new ATOM 0 HD2 TYR A 85 11.930 -11.021 4.092 1.00 0.00 H new ATOM 0 HE1 TYR A 85 16.601 -12.355 3.321 1.00 0.00 H new ATOM 0 HE2 TYR A 85 12.999 -12.654 5.581 1.00 0.00 H new ATOM 0 HH TYR A 85 14.824 -13.802 6.060 1.00 0.00 H new ATOM 1398 N ALA A 86 12.040 -9.405 -1.622 1.00 0.00 N ATOM 1399 CA ALA A 86 11.428 -8.454 -2.541 1.00 0.00 C ATOM 1400 C ALA A 86 10.777 -9.171 -3.719 1.00 0.00 C ATOM 1401 O ALA A 86 11.082 -10.330 -3.999 1.00 0.00 O ATOM 1402 CB ALA A 86 12.465 -7.457 -3.036 1.00 0.00 C ATOM 0 H ALA A 86 12.459 -10.218 -2.073 1.00 0.00 H new ATOM 0 HA ALA A 86 10.649 -7.915 -2.002 1.00 0.00 H new ATOM 0 HB1 ALA A 86 11.994 -6.753 -3.722 1.00 0.00 H new ATOM 0 HB2 ALA A 86 12.882 -6.914 -2.188 1.00 0.00 H new ATOM 0 HB3 ALA A 86 13.263 -7.989 -3.554 1.00 0.00 H new ATOM 1408 N PHE A 87 9.877 -8.474 -4.406 1.00 0.00 N ATOM 1409 CA PHE A 87 9.181 -9.045 -5.553 1.00 0.00 C ATOM 1410 C PHE A 87 8.952 -7.989 -6.631 1.00 0.00 C ATOM 1411 O PHE A 87 9.372 -6.840 -6.490 1.00 0.00 O ATOM 1412 CB PHE A 87 7.842 -9.644 -5.117 1.00 0.00 C ATOM 1413 CG PHE A 87 7.199 -8.908 -3.977 1.00 0.00 C ATOM 1414 CD1 PHE A 87 7.671 -9.058 -2.684 1.00 0.00 C ATOM 1415 CD2 PHE A 87 6.121 -8.066 -4.200 1.00 0.00 C ATOM 1416 CE1 PHE A 87 7.081 -8.382 -1.632 1.00 0.00 C ATOM 1417 CE2 PHE A 87 5.527 -7.387 -3.152 1.00 0.00 C ATOM 1418 CZ PHE A 87 6.007 -7.546 -1.867 1.00 0.00 C ATOM 0 H PHE A 87 9.613 -7.513 -4.188 1.00 0.00 H new ATOM 0 HA PHE A 87 9.806 -9.835 -5.970 1.00 0.00 H new ATOM 0 HB2 PHE A 87 7.160 -9.647 -5.968 1.00 0.00 H new ATOM 0 HB3 PHE A 87 7.995 -10.684 -4.827 1.00 0.00 H new ATOM 0 HD1 PHE A 87 8.510 -9.711 -2.495 1.00 0.00 H new ATOM 0 HD2 PHE A 87 5.741 -7.939 -5.203 1.00 0.00 H new ATOM 0 HE1 PHE A 87 7.459 -8.507 -0.628 1.00 0.00 H new ATOM 0 HE2 PHE A 87 4.688 -6.733 -3.338 1.00 0.00 H new ATOM 0 HZ PHE A 87 5.543 -7.018 -1.047 1.00 0.00 H new ATOM 1428 N LYS A 88 8.284 -8.387 -7.708 1.00 0.00 N ATOM 1429 CA LYS A 88 7.997 -7.478 -8.810 1.00 0.00 C ATOM 1430 C LYS A 88 6.613 -7.746 -9.392 1.00 0.00 C ATOM 1431 O LYS A 88 6.162 -8.891 -9.443 1.00 0.00 O ATOM 1432 CB LYS A 88 9.057 -7.619 -9.905 1.00 0.00 C ATOM 1433 CG LYS A 88 8.952 -8.915 -10.689 1.00 0.00 C ATOM 1434 CD LYS A 88 9.748 -8.851 -11.982 1.00 0.00 C ATOM 1435 CE LYS A 88 9.266 -9.886 -12.986 1.00 0.00 C ATOM 1436 NZ LYS A 88 8.114 -9.387 -13.787 1.00 0.00 N ATOM 0 H LYS A 88 7.931 -9.335 -7.841 1.00 0.00 H new ATOM 0 HA LYS A 88 8.017 -6.460 -8.421 1.00 0.00 H new ATOM 0 HB2 LYS A 88 8.969 -6.779 -10.594 1.00 0.00 H new ATOM 0 HB3 LYS A 88 10.046 -7.557 -9.452 1.00 0.00 H new ATOM 0 HG2 LYS A 88 9.315 -9.741 -10.078 1.00 0.00 H new ATOM 0 HG3 LYS A 88 7.906 -9.121 -10.915 1.00 0.00 H new ATOM 0 HD2 LYS A 88 9.661 -7.855 -12.415 1.00 0.00 H new ATOM 0 HD3 LYS A 88 10.804 -9.014 -11.768 1.00 0.00 H new ATOM 0 HE2 LYS A 88 10.085 -10.152 -13.654 1.00 0.00 H new ATOM 0 HE3 LYS A 88 8.976 -10.795 -12.459 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 7.815 -10.122 -14.460 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 7.323 -9.156 -13.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 8.398 -8.534 -14.310 1.00 0.00 H new ATOM 1450 N ALA A 89 5.943 -6.685 -9.829 1.00 0.00 N ATOM 1451 CA ALA A 89 4.612 -6.808 -10.410 1.00 0.00 C ATOM 1452 C ALA A 89 4.605 -6.358 -11.867 1.00 0.00 C ATOM 1453 O ALA A 89 4.874 -5.196 -12.169 1.00 0.00 O ATOM 1454 CB ALA A 89 3.607 -6.000 -9.602 1.00 0.00 C ATOM 0 H ALA A 89 6.300 -5.730 -9.792 1.00 0.00 H new ATOM 0 HA ALA A 89 4.325 -7.859 -10.380 1.00 0.00 H new ATOM 0 HB1 ALA A 89 2.617 -6.101 -10.047 1.00 0.00 H new ATOM 0 HB2 ALA A 89 3.583 -6.369 -8.577 1.00 0.00 H new ATOM 0 HB3 ALA A 89 3.900 -4.950 -9.603 1.00 0.00 H new ATOM 1460 N ALA A 90 4.297 -7.287 -12.767 1.00 0.00 N ATOM 1461 CA ALA A 90 4.255 -6.986 -14.192 1.00 0.00 C ATOM 1462 C ALA A 90 2.853 -6.569 -14.624 1.00 0.00 C ATOM 1463 O ALA A 90 1.857 -7.085 -14.116 1.00 0.00 O ATOM 1464 CB ALA A 90 4.722 -8.187 -15.000 1.00 0.00 C ATOM 0 H ALA A 90 4.073 -8.254 -12.534 1.00 0.00 H new ATOM 0 HA ALA A 90 4.929 -6.151 -14.381 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.685 -7.947 -16.063 1.00 0.00 H new ATOM 0 HB2 ALA A 90 5.745 -8.438 -14.720 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.071 -9.037 -14.797 1.00 0.00 H new ATOM 1470 N HIS A 91 2.782 -5.630 -15.563 1.00 0.00 N ATOM 1471 CA HIS A 91 1.501 -5.144 -16.062 1.00 0.00 C ATOM 1472 C HIS A 91 1.486 -5.119 -17.587 1.00 0.00 C ATOM 1473 O HIS A 91 2.473 -4.770 -18.236 1.00 0.00 O ATOM 1474 CB HIS A 91 1.214 -3.745 -15.515 1.00 0.00 C ATOM 1475 CG HIS A 91 -0.246 -3.417 -15.445 1.00 0.00 C ATOM 1476 ND1 HIS A 91 -0.950 -2.887 -16.505 1.00 0.00 N ATOM 1477 CD2 HIS A 91 -1.135 -3.549 -14.433 1.00 0.00 C ATOM 1478 CE1 HIS A 91 -2.209 -2.705 -16.149 1.00 0.00 C ATOM 1479 NE2 HIS A 91 -2.348 -3.099 -14.896 1.00 0.00 N ATOM 0 H HIS A 91 3.596 -5.191 -15.993 1.00 0.00 H new ATOM 0 HA HIS A 91 0.723 -5.827 -15.720 1.00 0.00 H new ATOM 0 HB2 HIS A 91 1.646 -3.658 -14.518 1.00 0.00 H new ATOM 0 HB3 HIS A 91 1.714 -3.008 -16.144 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -0.929 -3.936 -13.446 1.00 0.00 H new ATOM 0 HE1 HIS A 91 -2.991 -2.303 -16.776 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -3.215 -3.073 -14.359 1.00 0.00 H new ATOM 1488 N PRO A 92 0.342 -5.499 -18.175 1.00 0.00 N ATOM 1489 CA PRO A 92 0.172 -5.528 -19.631 1.00 0.00 C ATOM 1490 C PRO A 92 0.039 -4.132 -20.228 1.00 0.00 C ATOM 1491 O PRO A 92 0.667 -3.815 -21.237 1.00 0.00 O ATOM 1492 CB PRO A 92 -1.126 -6.317 -19.820 1.00 0.00 C ATOM 1493 CG PRO A 92 -1.897 -6.084 -18.567 1.00 0.00 C ATOM 1494 CD PRO A 92 -0.874 -5.928 -17.464 1.00 0.00 C ATOM 0 HA PRO A 92 1.033 -5.970 -20.133 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -1.677 -5.969 -20.694 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -0.926 -7.378 -19.970 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -2.517 -5.191 -18.652 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -2.567 -6.919 -18.361 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -1.189 -5.189 -16.727 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -0.716 -6.864 -16.929 1.00 0.00 H new ATOM 1502 N ASN A 93 -0.784 -3.300 -19.597 1.00 0.00 N ATOM 1503 CA ASN A 93 -1.000 -1.936 -20.067 1.00 0.00 C ATOM 1504 C ASN A 93 -0.117 -0.952 -19.305 1.00 0.00 C ATOM 1505 O ASN A 93 -0.291 0.262 -19.408 1.00 0.00 O ATOM 1506 CB ASN A 93 -2.471 -1.546 -19.908 1.00 0.00 C ATOM 1507 CG ASN A 93 -3.307 -1.941 -21.111 1.00 0.00 C ATOM 1508 OD1 ASN A 93 -2.920 -1.700 -22.255 1.00 0.00 O ATOM 1509 ND2 ASN A 93 -4.459 -2.550 -20.856 1.00 0.00 N ATOM 0 H ASN A 93 -1.312 -3.546 -18.760 1.00 0.00 H new ATOM 0 HA ASN A 93 -0.732 -1.896 -21.123 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -2.876 -2.022 -19.015 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.544 -0.469 -19.756 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -5.064 -2.839 -21.625 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -4.739 -2.729 -19.892 1.00 0.00 H new ATOM 1516 N MET A 94 0.831 -1.486 -18.541 1.00 0.00 N ATOM 1517 CA MET A 94 1.743 -0.655 -17.764 1.00 0.00 C ATOM 1518 C MET A 94 3.110 -1.319 -17.637 1.00 0.00 C ATOM 1519 O MET A 94 3.341 -2.396 -18.188 1.00 0.00 O ATOM 1520 CB MET A 94 1.162 -0.386 -16.374 1.00 0.00 C ATOM 1521 CG MET A 94 0.188 0.780 -16.337 1.00 0.00 C ATOM 1522 SD MET A 94 -1.030 0.626 -15.017 1.00 0.00 S ATOM 1523 CE MET A 94 0.037 0.475 -13.586 1.00 0.00 C ATOM 0 H MET A 94 0.987 -2.489 -18.444 1.00 0.00 H new ATOM 0 HA MET A 94 1.867 0.293 -18.288 1.00 0.00 H new ATOM 0 HB2 MET A 94 0.654 -1.284 -16.022 1.00 0.00 H new ATOM 0 HB3 MET A 94 1.979 -0.188 -15.680 1.00 0.00 H new ATOM 0 HG2 MET A 94 0.744 1.709 -16.207 1.00 0.00 H new ATOM 0 HG3 MET A 94 -0.327 0.849 -17.295 1.00 0.00 H new ATOM 0 HE1 MET A 94 -0.563 0.230 -12.709 1.00 0.00 H new ATOM 0 HE2 MET A 94 0.767 -0.316 -13.758 1.00 0.00 H new ATOM 0 HE3 MET A 94 0.556 1.418 -13.418 1.00 0.00 H new ATOM 1533 N ARG A 95 4.013 -0.671 -16.908 1.00 0.00 N ATOM 1534 CA ARG A 95 5.358 -1.199 -16.711 1.00 0.00 C ATOM 1535 C ARG A 95 5.386 -2.196 -15.557 1.00 0.00 C ATOM 1536 O ARG A 95 4.350 -2.518 -14.974 1.00 0.00 O ATOM 1537 CB ARG A 95 6.341 -0.059 -16.440 1.00 0.00 C ATOM 1538 CG ARG A 95 6.044 0.710 -15.163 1.00 0.00 C ATOM 1539 CD ARG A 95 6.485 2.162 -15.272 1.00 0.00 C ATOM 1540 NE ARG A 95 6.373 2.865 -13.997 1.00 0.00 N ATOM 1541 CZ ARG A 95 6.275 4.185 -13.892 1.00 0.00 C ATOM 1542 NH1 ARG A 95 6.274 4.942 -14.981 1.00 0.00 N ATOM 1543 NH2 ARG A 95 6.176 4.752 -12.696 1.00 0.00 N ATOM 0 H ARG A 95 3.838 0.220 -16.444 1.00 0.00 H new ATOM 0 HA ARG A 95 5.656 -1.717 -17.623 1.00 0.00 H new ATOM 0 HB2 ARG A 95 7.350 -0.467 -16.382 1.00 0.00 H new ATOM 0 HB3 ARG A 95 6.324 0.632 -17.283 1.00 0.00 H new ATOM 0 HG2 ARG A 95 4.976 0.668 -14.952 1.00 0.00 H new ATOM 0 HG3 ARG A 95 6.554 0.236 -14.324 1.00 0.00 H new ATOM 0 HD2 ARG A 95 7.518 2.202 -15.619 1.00 0.00 H new ATOM 0 HD3 ARG A 95 5.877 2.670 -16.021 1.00 0.00 H new ATOM 0 HE ARG A 95 6.370 2.312 -13.140 1.00 0.00 H new ATOM 0 HH11 ARG A 95 6.349 4.510 -15.902 1.00 0.00 H new ATOM 0 HH12 ARG A 95 6.199 5.956 -14.897 1.00 0.00 H new ATOM 0 HH21 ARG A 95 6.175 4.174 -11.856 1.00 0.00 H new ATOM 0 HH22 ARG A 95 6.101 5.766 -12.617 1.00 0.00 H new ATOM 1557 N THR A 96 6.580 -2.682 -15.230 1.00 0.00 N ATOM 1558 CA THR A 96 6.744 -3.643 -14.147 1.00 0.00 C ATOM 1559 C THR A 96 7.218 -2.958 -12.871 1.00 0.00 C ATOM 1560 O THR A 96 8.287 -2.347 -12.843 1.00 0.00 O ATOM 1561 CB THR A 96 7.746 -4.750 -14.525 1.00 0.00 C ATOM 1562 OG1 THR A 96 7.271 -5.473 -15.666 1.00 0.00 O ATOM 1563 CG2 THR A 96 7.959 -5.708 -13.363 1.00 0.00 C ATOM 0 H THR A 96 7.448 -2.425 -15.701 1.00 0.00 H new ATOM 0 HA THR A 96 5.766 -4.092 -13.973 1.00 0.00 H new ATOM 0 HB THR A 96 8.699 -4.279 -14.766 1.00 0.00 H new ATOM 0 HG1 THR A 96 7.915 -6.174 -15.901 1.00 0.00 H new ATOM 0 HG21 THR A 96 8.670 -6.481 -13.654 1.00 0.00 H new ATOM 0 HG22 THR A 96 8.350 -5.159 -12.506 1.00 0.00 H new ATOM 0 HG23 THR A 96 7.010 -6.171 -13.095 1.00 0.00 H new ATOM 1571 N TYR A 97 6.418 -3.063 -11.816 1.00 0.00 N ATOM 1572 CA TYR A 97 6.756 -2.451 -10.537 1.00 0.00 C ATOM 1573 C TYR A 97 7.602 -3.395 -9.688 1.00 0.00 C ATOM 1574 O TYR A 97 7.737 -4.578 -10.002 1.00 0.00 O ATOM 1575 CB TYR A 97 5.483 -2.068 -9.779 1.00 0.00 C ATOM 1576 CG TYR A 97 4.792 -0.844 -10.335 1.00 0.00 C ATOM 1577 CD1 TYR A 97 4.576 -0.704 -11.701 1.00 0.00 C ATOM 1578 CD2 TYR A 97 4.354 0.173 -9.496 1.00 0.00 C ATOM 1579 CE1 TYR A 97 3.946 0.413 -12.214 1.00 0.00 C ATOM 1580 CE2 TYR A 97 3.722 1.293 -9.999 1.00 0.00 C ATOM 1581 CZ TYR A 97 3.520 1.409 -11.359 1.00 0.00 C ATOM 1582 OH TYR A 97 2.891 2.523 -11.866 1.00 0.00 O ATOM 0 H TYR A 97 5.531 -3.566 -11.821 1.00 0.00 H new ATOM 0 HA TYR A 97 7.337 -1.551 -10.736 1.00 0.00 H new ATOM 0 HB2 TYR A 97 4.789 -2.909 -9.803 1.00 0.00 H new ATOM 0 HB3 TYR A 97 5.733 -1.890 -8.733 1.00 0.00 H new ATOM 0 HD1 TYR A 97 4.907 -1.482 -12.373 1.00 0.00 H new ATOM 0 HD2 TYR A 97 4.511 0.086 -8.431 1.00 0.00 H new ATOM 0 HE1 TYR A 97 3.788 0.506 -13.278 1.00 0.00 H new ATOM 0 HE2 TYR A 97 3.388 2.074 -9.332 1.00 0.00 H new ATOM 0 HH TYR A 97 2.654 3.127 -11.132 1.00 0.00 H new ATOM 1592 N TYR A 98 8.168 -2.864 -8.610 1.00 0.00 N ATOM 1593 CA TYR A 98 9.003 -3.657 -7.716 1.00 0.00 C ATOM 1594 C TYR A 98 8.847 -3.194 -6.271 1.00 0.00 C ATOM 1595 O TYR A 98 8.992 -2.010 -5.967 1.00 0.00 O ATOM 1596 CB TYR A 98 10.471 -3.563 -8.137 1.00 0.00 C ATOM 1597 CG TYR A 98 10.795 -4.358 -9.382 1.00 0.00 C ATOM 1598 CD1 TYR A 98 10.328 -3.957 -10.627 1.00 0.00 C ATOM 1599 CD2 TYR A 98 11.569 -5.510 -9.312 1.00 0.00 C ATOM 1600 CE1 TYR A 98 10.621 -4.681 -11.767 1.00 0.00 C ATOM 1601 CE2 TYR A 98 11.869 -6.239 -10.447 1.00 0.00 C ATOM 1602 CZ TYR A 98 11.392 -5.821 -11.672 1.00 0.00 C ATOM 1603 OH TYR A 98 11.688 -6.545 -12.804 1.00 0.00 O ATOM 0 H TYR A 98 8.064 -1.888 -8.334 1.00 0.00 H new ATOM 0 HA TYR A 98 8.678 -4.695 -7.783 1.00 0.00 H new ATOM 0 HB2 TYR A 98 10.725 -2.517 -8.307 1.00 0.00 H new ATOM 0 HB3 TYR A 98 11.099 -3.914 -7.318 1.00 0.00 H new ATOM 0 HD1 TYR A 98 9.726 -3.064 -10.706 1.00 0.00 H new ATOM 0 HD2 TYR A 98 11.942 -5.841 -8.354 1.00 0.00 H new ATOM 0 HE1 TYR A 98 10.248 -4.356 -12.727 1.00 0.00 H new ATOM 0 HE2 TYR A 98 12.474 -7.131 -10.375 1.00 0.00 H new ATOM 0 HH TYR A 98 12.241 -7.318 -12.563 1.00 0.00 H new ATOM 1613 N PHE A 99 8.549 -4.137 -5.383 1.00 0.00 N ATOM 1614 CA PHE A 99 8.372 -3.827 -3.969 1.00 0.00 C ATOM 1615 C PHE A 99 9.256 -4.718 -3.102 1.00 0.00 C ATOM 1616 O PHE A 99 9.598 -5.837 -3.489 1.00 0.00 O ATOM 1617 CB PHE A 99 6.905 -4.000 -3.567 1.00 0.00 C ATOM 1618 CG PHE A 99 5.939 -3.446 -4.575 1.00 0.00 C ATOM 1619 CD1 PHE A 99 5.665 -2.088 -4.618 1.00 0.00 C ATOM 1620 CD2 PHE A 99 5.304 -4.283 -5.478 1.00 0.00 C ATOM 1621 CE1 PHE A 99 4.776 -1.575 -5.544 1.00 0.00 C ATOM 1622 CE2 PHE A 99 4.414 -3.776 -6.407 1.00 0.00 C ATOM 1623 CZ PHE A 99 4.149 -2.421 -6.439 1.00 0.00 C ATOM 0 H PHE A 99 8.425 -5.122 -5.618 1.00 0.00 H new ATOM 0 HA PHE A 99 8.666 -2.789 -3.811 1.00 0.00 H new ATOM 0 HB2 PHE A 99 6.699 -5.060 -3.422 1.00 0.00 H new ATOM 0 HB3 PHE A 99 6.739 -3.509 -2.608 1.00 0.00 H new ATOM 0 HD1 PHE A 99 6.152 -1.423 -3.920 1.00 0.00 H new ATOM 0 HD2 PHE A 99 5.506 -5.344 -5.456 1.00 0.00 H new ATOM 0 HE1 PHE A 99 4.572 -0.515 -5.568 1.00 0.00 H new ATOM 0 HE2 PHE A 99 3.927 -4.439 -7.107 1.00 0.00 H new ATOM 0 HZ PHE A 99 3.453 -2.023 -7.162 1.00 0.00 H new ATOM 1633 N CYS A 100 9.624 -4.215 -1.930 1.00 0.00 N ATOM 1634 CA CYS A 100 10.471 -4.964 -1.008 1.00 0.00 C ATOM 1635 C CYS A 100 10.127 -4.629 0.440 1.00 0.00 C ATOM 1636 O CYS A 100 9.524 -3.593 0.723 1.00 0.00 O ATOM 1637 CB CYS A 100 11.946 -4.662 -1.277 1.00 0.00 C ATOM 1638 SG CYS A 100 12.466 -3.008 -0.765 1.00 0.00 S ATOM 0 H CYS A 100 9.350 -3.292 -1.595 1.00 0.00 H new ATOM 0 HA CYS A 100 10.290 -6.027 -1.169 1.00 0.00 H new ATOM 0 HB2 CYS A 100 12.557 -5.400 -0.758 1.00 0.00 H new ATOM 0 HB3 CYS A 100 12.141 -4.779 -2.343 1.00 0.00 H new ATOM 0 HG CYS A 100 12.533 -2.233 -1.806 1.00 0.00 H new ATOM 1644 N THR A 101 10.513 -5.513 1.355 1.00 0.00 N ATOM 1645 CA THR A 101 10.243 -5.313 2.773 1.00 0.00 C ATOM 1646 C THR A 101 11.518 -5.441 3.598 1.00 0.00 C ATOM 1647 O THR A 101 12.610 -5.595 3.051 1.00 0.00 O ATOM 1648 CB THR A 101 9.204 -6.323 3.295 1.00 0.00 C ATOM 1649 OG1 THR A 101 9.642 -7.660 3.026 1.00 0.00 O ATOM 1650 CG2 THR A 101 7.848 -6.089 2.647 1.00 0.00 C ATOM 0 H THR A 101 11.014 -6.375 1.139 1.00 0.00 H new ATOM 0 HA THR A 101 9.844 -4.304 2.880 1.00 0.00 H new ATOM 0 HB THR A 101 9.104 -6.183 4.371 1.00 0.00 H new ATOM 0 HG1 THR A 101 9.716 -8.156 3.868 1.00 0.00 H new ATOM 0 HG21 THR A 101 7.131 -6.814 3.031 1.00 0.00 H new ATOM 0 HG22 THR A 101 7.504 -5.081 2.878 1.00 0.00 H new ATOM 0 HG23 THR A 101 7.936 -6.204 1.567 1.00 0.00 H new ATOM 1658 N ASP A 102 11.372 -5.377 4.917 1.00 0.00 N ATOM 1659 CA ASP A 102 12.513 -5.487 5.819 1.00 0.00 C ATOM 1660 C ASP A 102 12.772 -6.943 6.192 1.00 0.00 C ATOM 1661 O ASP A 102 13.916 -7.401 6.197 1.00 0.00 O ATOM 1662 CB ASP A 102 12.274 -4.659 7.082 1.00 0.00 C ATOM 1663 CG ASP A 102 12.540 -3.182 6.865 1.00 0.00 C ATOM 1664 OD1 ASP A 102 12.240 -2.681 5.761 1.00 0.00 O ATOM 1665 OD2 ASP A 102 13.049 -2.527 7.799 1.00 0.00 O ATOM 0 H ASP A 102 10.475 -5.250 5.385 1.00 0.00 H new ATOM 0 HA ASP A 102 13.392 -5.101 5.302 1.00 0.00 H new ATOM 0 HB2 ASP A 102 11.244 -4.795 7.413 1.00 0.00 H new ATOM 0 HB3 ASP A 102 12.917 -5.027 7.881 1.00 0.00 H new ATOM 1670 N THR A 103 11.703 -7.668 6.505 1.00 0.00 N ATOM 1671 CA THR A 103 11.814 -9.071 6.882 1.00 0.00 C ATOM 1672 C THR A 103 10.821 -9.929 6.105 1.00 0.00 C ATOM 1673 O THR A 103 9.956 -9.411 5.401 1.00 0.00 O ATOM 1674 CB THR A 103 11.575 -9.269 8.391 1.00 0.00 C ATOM 1675 OG1 THR A 103 10.284 -8.765 8.752 1.00 0.00 O ATOM 1676 CG2 THR A 103 12.647 -8.561 9.205 1.00 0.00 C ATOM 0 H THR A 103 10.749 -7.306 6.505 1.00 0.00 H new ATOM 0 HA THR A 103 12.829 -9.384 6.639 1.00 0.00 H new ATOM 0 HB THR A 103 11.622 -10.336 8.608 1.00 0.00 H new ATOM 0 HG1 THR A 103 10.139 -8.896 9.712 1.00 0.00 H new ATOM 0 HG21 THR A 103 12.458 -8.715 10.267 1.00 0.00 H new ATOM 0 HG22 THR A 103 13.626 -8.966 8.948 1.00 0.00 H new ATOM 0 HG23 THR A 103 12.627 -7.494 8.983 1.00 0.00 H new ATOM 1684 N GLY A 104 10.951 -11.246 6.240 1.00 0.00 N ATOM 1685 CA GLY A 104 10.058 -12.154 5.545 1.00 0.00 C ATOM 1686 C GLY A 104 8.599 -11.878 5.849 1.00 0.00 C ATOM 1687 O GLY A 104 7.749 -11.941 4.960 1.00 0.00 O ATOM 0 H GLY A 104 11.659 -11.699 6.818 1.00 0.00 H new ATOM 0 HA2 GLY A 104 10.224 -12.071 4.471 1.00 0.00 H new ATOM 0 HA3 GLY A 104 10.297 -13.180 5.826 1.00 0.00 H new ATOM 1691 N LYS A 105 8.306 -11.573 7.109 1.00 0.00 N ATOM 1692 CA LYS A 105 6.940 -11.287 7.529 1.00 0.00 C ATOM 1693 C LYS A 105 6.338 -10.162 6.692 1.00 0.00 C ATOM 1694 O LYS A 105 5.346 -10.361 5.992 1.00 0.00 O ATOM 1695 CB LYS A 105 6.909 -10.907 9.011 1.00 0.00 C ATOM 1696 CG LYS A 105 5.550 -10.425 9.487 1.00 0.00 C ATOM 1697 CD LYS A 105 4.578 -11.580 9.662 1.00 0.00 C ATOM 1698 CE LYS A 105 3.377 -11.175 10.503 1.00 0.00 C ATOM 1699 NZ LYS A 105 3.746 -10.957 11.929 1.00 0.00 N ATOM 0 H LYS A 105 8.997 -11.518 7.857 1.00 0.00 H new ATOM 0 HA LYS A 105 6.344 -12.187 7.379 1.00 0.00 H new ATOM 0 HB2 LYS A 105 7.207 -11.771 9.605 1.00 0.00 H new ATOM 0 HB3 LYS A 105 7.646 -10.125 9.192 1.00 0.00 H new ATOM 0 HG2 LYS A 105 5.662 -9.896 10.433 1.00 0.00 H new ATOM 0 HG3 LYS A 105 5.144 -9.712 8.769 1.00 0.00 H new ATOM 0 HD2 LYS A 105 4.240 -11.924 8.684 1.00 0.00 H new ATOM 0 HD3 LYS A 105 5.089 -12.418 10.135 1.00 0.00 H new ATOM 0 HE2 LYS A 105 2.941 -10.262 10.097 1.00 0.00 H new ATOM 0 HE3 LYS A 105 2.612 -11.949 10.440 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 2.891 -11.002 12.520 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 4.415 -11.694 12.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 4.190 -10.022 12.034 1.00 0.00 H new ATOM 1713 N GLU A 106 6.945 -8.982 6.771 1.00 0.00 N ATOM 1714 CA GLU A 106 6.468 -7.827 6.019 1.00 0.00 C ATOM 1715 C GLU A 106 6.250 -8.184 4.552 1.00 0.00 C ATOM 1716 O GLU A 106 5.521 -7.498 3.837 1.00 0.00 O ATOM 1717 CB GLU A 106 7.464 -6.671 6.132 1.00 0.00 C ATOM 1718 CG GLU A 106 7.330 -5.875 7.419 1.00 0.00 C ATOM 1719 CD GLU A 106 6.355 -4.720 7.291 1.00 0.00 C ATOM 1720 OE1 GLU A 106 6.388 -4.026 6.254 1.00 0.00 O ATOM 1721 OE2 GLU A 106 5.558 -4.511 8.230 1.00 0.00 O ATOM 0 H GLU A 106 7.767 -8.801 7.347 1.00 0.00 H new ATOM 0 HA GLU A 106 5.513 -7.518 6.445 1.00 0.00 H new ATOM 0 HB2 GLU A 106 8.477 -7.068 6.064 1.00 0.00 H new ATOM 0 HB3 GLU A 106 7.327 -6.000 5.284 1.00 0.00 H new ATOM 0 HG2 GLU A 106 7.000 -6.538 8.219 1.00 0.00 H new ATOM 0 HG3 GLU A 106 8.308 -5.490 7.707 1.00 0.00 H new ATOM 1728 N MET A 107 6.888 -9.263 4.111 1.00 0.00 N ATOM 1729 CA MET A 107 6.764 -9.713 2.729 1.00 0.00 C ATOM 1730 C MET A 107 5.591 -10.676 2.574 1.00 0.00 C ATOM 1731 O MET A 107 4.876 -10.641 1.574 1.00 0.00 O ATOM 1732 CB MET A 107 8.058 -10.388 2.271 1.00 0.00 C ATOM 1733 CG MET A 107 7.932 -11.099 0.934 1.00 0.00 C ATOM 1734 SD MET A 107 9.482 -11.125 0.013 1.00 0.00 S ATOM 1735 CE MET A 107 9.327 -12.678 -0.867 1.00 0.00 C ATOM 0 H MET A 107 7.496 -9.842 4.690 1.00 0.00 H new ATOM 0 HA MET A 107 6.579 -8.839 2.104 1.00 0.00 H new ATOM 0 HB2 MET A 107 8.845 -9.637 2.201 1.00 0.00 H new ATOM 0 HB3 MET A 107 8.370 -11.107 3.028 1.00 0.00 H new ATOM 0 HG2 MET A 107 7.596 -12.122 1.101 1.00 0.00 H new ATOM 0 HG3 MET A 107 7.166 -10.606 0.335 1.00 0.00 H new ATOM 0 HE1 MET A 107 10.212 -12.837 -1.483 1.00 0.00 H new ATOM 0 HE2 MET A 107 9.232 -13.494 -0.151 1.00 0.00 H new ATOM 0 HE3 MET A 107 8.443 -12.649 -1.503 1.00 0.00 H new ATOM 1745 N GLU A 108 5.402 -11.536 3.570 1.00 0.00 N ATOM 1746 CA GLU A 108 4.317 -12.510 3.542 1.00 0.00 C ATOM 1747 C GLU A 108 2.963 -11.819 3.680 1.00 0.00 C ATOM 1748 O GLU A 108 1.973 -12.245 3.084 1.00 0.00 O ATOM 1749 CB GLU A 108 4.494 -13.536 4.663 1.00 0.00 C ATOM 1750 CG GLU A 108 3.817 -13.140 5.964 1.00 0.00 C ATOM 1751 CD GLU A 108 3.860 -14.243 7.004 1.00 0.00 C ATOM 1752 OE1 GLU A 108 4.903 -14.923 7.103 1.00 0.00 O ATOM 1753 OE2 GLU A 108 2.852 -14.426 7.718 1.00 0.00 O ATOM 0 H GLU A 108 5.986 -11.578 4.406 1.00 0.00 H new ATOM 0 HA GLU A 108 4.348 -13.023 2.581 1.00 0.00 H new ATOM 0 HB2 GLU A 108 4.094 -14.495 4.333 1.00 0.00 H new ATOM 0 HB3 GLU A 108 5.559 -13.681 4.847 1.00 0.00 H new ATOM 0 HG2 GLU A 108 4.301 -12.249 6.364 1.00 0.00 H new ATOM 0 HG3 GLU A 108 2.779 -12.876 5.763 1.00 0.00 H new ATOM 1760 N LEU A 109 2.927 -10.751 4.469 1.00 0.00 N ATOM 1761 CA LEU A 109 1.695 -10.001 4.686 1.00 0.00 C ATOM 1762 C LEU A 109 1.253 -9.298 3.406 1.00 0.00 C ATOM 1763 O LEU A 109 0.065 -9.263 3.085 1.00 0.00 O ATOM 1764 CB LEU A 109 1.890 -8.975 5.804 1.00 0.00 C ATOM 1765 CG LEU A 109 2.331 -9.532 7.157 1.00 0.00 C ATOM 1766 CD1 LEU A 109 2.495 -8.409 8.169 1.00 0.00 C ATOM 1767 CD2 LEU A 109 1.333 -10.565 7.660 1.00 0.00 C ATOM 0 H LEU A 109 3.737 -10.385 4.969 1.00 0.00 H new ATOM 0 HA LEU A 109 0.916 -10.705 4.979 1.00 0.00 H new ATOM 0 HB2 LEU A 109 2.630 -8.246 5.475 1.00 0.00 H new ATOM 0 HB3 LEU A 109 0.952 -8.437 5.943 1.00 0.00 H new ATOM 0 HG LEU A 109 3.296 -10.022 7.029 1.00 0.00 H new ATOM 0 HD11 LEU A 109 2.809 -8.825 9.126 1.00 0.00 H new ATOM 0 HD12 LEU A 109 3.249 -7.706 7.814 1.00 0.00 H new ATOM 0 HD13 LEU A 109 1.545 -7.890 8.294 1.00 0.00 H new ATOM 0 HD21 LEU A 109 1.663 -10.951 8.624 1.00 0.00 H new ATOM 0 HD22 LEU A 109 0.353 -10.100 7.771 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.266 -11.385 6.945 1.00 0.00 H new ATOM 1779 N TRP A 110 2.216 -8.743 2.680 1.00 0.00 N ATOM 1780 CA TRP A 110 1.926 -8.043 1.433 1.00 0.00 C ATOM 1781 C TRP A 110 1.638 -9.031 0.309 1.00 0.00 C ATOM 1782 O TRP A 110 0.657 -8.886 -0.421 1.00 0.00 O ATOM 1783 CB TRP A 110 3.098 -7.140 1.047 1.00 0.00 C ATOM 1784 CG TRP A 110 3.025 -5.776 1.664 1.00 0.00 C ATOM 1785 CD1 TRP A 110 3.950 -5.197 2.486 1.00 0.00 C ATOM 1786 CD2 TRP A 110 1.970 -4.821 1.510 1.00 0.00 C ATOM 1787 NE1 TRP A 110 3.533 -3.940 2.853 1.00 0.00 N ATOM 1788 CE2 TRP A 110 2.321 -3.685 2.266 1.00 0.00 C ATOM 1789 CE3 TRP A 110 0.763 -4.813 0.806 1.00 0.00 C ATOM 1790 CZ2 TRP A 110 1.508 -2.557 2.337 1.00 0.00 C ATOM 1791 CZ3 TRP A 110 -0.043 -3.693 0.877 1.00 0.00 C ATOM 1792 CH2 TRP A 110 0.332 -2.577 1.637 1.00 0.00 C ATOM 0 H TRP A 110 3.204 -8.764 2.932 1.00 0.00 H new ATOM 0 HA TRP A 110 1.039 -7.429 1.588 1.00 0.00 H new ATOM 0 HB2 TRP A 110 4.030 -7.618 1.348 1.00 0.00 H new ATOM 0 HB3 TRP A 110 3.128 -7.039 -0.038 1.00 0.00 H new ATOM 0 HD1 TRP A 110 4.874 -5.659 2.801 1.00 0.00 H new ATOM 0 HE1 TRP A 110 4.043 -3.301 3.463 1.00 0.00 H new ATOM 0 HE3 TRP A 110 0.465 -5.668 0.217 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 1.795 -1.697 2.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -0.978 -3.677 0.337 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -0.319 -1.716 1.671 1.00 0.00 H new ATOM 1803 N MET A 111 2.498 -10.036 0.174 1.00 0.00 N ATOM 1804 CA MET A 111 2.333 -11.049 -0.862 1.00 0.00 C ATOM 1805 C MET A 111 1.006 -11.782 -0.699 1.00 0.00 C ATOM 1806 O MET A 111 0.142 -11.725 -1.574 1.00 0.00 O ATOM 1807 CB MET A 111 3.491 -12.048 -0.817 1.00 0.00 C ATOM 1808 CG MET A 111 4.811 -11.470 -1.299 1.00 0.00 C ATOM 1809 SD MET A 111 4.787 -11.053 -3.053 1.00 0.00 S ATOM 1810 CE MET A 111 5.974 -12.230 -3.697 1.00 0.00 C ATOM 0 H MET A 111 3.316 -10.170 0.769 1.00 0.00 H new ATOM 0 HA MET A 111 2.333 -10.547 -1.830 1.00 0.00 H new ATOM 0 HB2 MET A 111 3.612 -12.405 0.206 1.00 0.00 H new ATOM 0 HB3 MET A 111 3.238 -12.913 -1.429 1.00 0.00 H new ATOM 0 HG2 MET A 111 5.045 -10.576 -0.720 1.00 0.00 H new ATOM 0 HG3 MET A 111 5.608 -12.189 -1.111 1.00 0.00 H new ATOM 0 HE1 MET A 111 6.123 -12.051 -4.762 1.00 0.00 H new ATOM 0 HE2 MET A 111 6.923 -12.114 -3.173 1.00 0.00 H new ATOM 0 HE3 MET A 111 5.599 -13.243 -3.549 1.00 0.00 H new ATOM 1820 N LYS A 112 0.851 -12.472 0.426 1.00 0.00 N ATOM 1821 CA LYS A 112 -0.372 -13.216 0.705 1.00 0.00 C ATOM 1822 C LYS A 112 -1.591 -12.492 0.143 1.00 0.00 C ATOM 1823 O LYS A 112 -2.477 -13.113 -0.444 1.00 0.00 O ATOM 1824 CB LYS A 112 -0.537 -13.419 2.213 1.00 0.00 C ATOM 1825 CG LYS A 112 0.306 -14.554 2.770 1.00 0.00 C ATOM 1826 CD LYS A 112 -0.269 -15.910 2.398 1.00 0.00 C ATOM 1827 CE LYS A 112 0.044 -16.958 3.455 1.00 0.00 C ATOM 1828 NZ LYS A 112 -0.919 -16.906 4.590 1.00 0.00 N ATOM 0 H LYS A 112 1.557 -12.532 1.160 1.00 0.00 H new ATOM 0 HA LYS A 112 -0.294 -14.189 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 112 -0.272 -12.495 2.727 1.00 0.00 H new ATOM 0 HB3 LYS A 112 -1.586 -13.616 2.432 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.324 -14.473 2.390 1.00 0.00 H new ATOM 0 HG3 LYS A 112 0.363 -14.467 3.855 1.00 0.00 H new ATOM 0 HD2 LYS A 112 -1.349 -15.827 2.275 1.00 0.00 H new ATOM 0 HD3 LYS A 112 0.138 -16.228 1.438 1.00 0.00 H new ATOM 0 HE2 LYS A 112 0.019 -17.949 3.002 1.00 0.00 H new ATOM 0 HE3 LYS A 112 1.056 -16.805 3.830 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.672 -17.635 5.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 -0.877 -15.969 5.038 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -1.882 -17.078 4.236 1.00 0.00 H new ATOM 1842 N ALA A 113 -1.627 -11.176 0.324 1.00 0.00 N ATOM 1843 CA ALA A 113 -2.736 -10.368 -0.168 1.00 0.00 C ATOM 1844 C ALA A 113 -2.591 -10.089 -1.661 1.00 0.00 C ATOM 1845 O ALA A 113 -3.416 -10.521 -2.465 1.00 0.00 O ATOM 1846 CB ALA A 113 -2.822 -9.062 0.608 1.00 0.00 C ATOM 0 H ALA A 113 -0.901 -10.647 0.808 1.00 0.00 H new ATOM 0 HA ALA A 113 -3.658 -10.930 -0.017 1.00 0.00 H new ATOM 0 HB1 ALA A 113 -3.654 -8.468 0.230 1.00 0.00 H new ATOM 0 HB2 ALA A 113 -2.980 -9.277 1.665 1.00 0.00 H new ATOM 0 HB3 ALA A 113 -1.894 -8.504 0.485 1.00 0.00 H new ATOM 1852 N MET A 114 -1.538 -9.364 -2.023 1.00 0.00 N ATOM 1853 CA MET A 114 -1.286 -9.029 -3.420 1.00 0.00 C ATOM 1854 C MET A 114 -1.619 -10.207 -4.331 1.00 0.00 C ATOM 1855 O MET A 114 -2.418 -10.079 -5.259 1.00 0.00 O ATOM 1856 CB MET A 114 0.175 -8.618 -3.612 1.00 0.00 C ATOM 1857 CG MET A 114 0.501 -7.247 -3.044 1.00 0.00 C ATOM 1858 SD MET A 114 2.044 -6.575 -3.691 1.00 0.00 S ATOM 1859 CE MET A 114 2.534 -5.497 -2.348 1.00 0.00 C ATOM 0 H MET A 114 -0.846 -8.997 -1.369 1.00 0.00 H new ATOM 0 HA MET A 114 -1.930 -8.192 -3.689 1.00 0.00 H new ATOM 0 HB2 MET A 114 0.818 -9.360 -3.139 1.00 0.00 H new ATOM 0 HB3 MET A 114 0.409 -8.626 -4.677 1.00 0.00 H new ATOM 0 HG2 MET A 114 -0.314 -6.560 -3.273 1.00 0.00 H new ATOM 0 HG3 MET A 114 0.566 -7.314 -1.958 1.00 0.00 H new ATOM 0 HE1 MET A 114 2.726 -4.497 -2.736 1.00 0.00 H new ATOM 0 HE2 MET A 114 1.735 -5.452 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 114 3.440 -5.885 -1.882 1.00 0.00 H new ATOM 1869 N LEU A 115 -1.003 -11.352 -4.059 1.00 0.00 N ATOM 1870 CA LEU A 115 -1.234 -12.552 -4.855 1.00 0.00 C ATOM 1871 C LEU A 115 -2.725 -12.856 -4.961 1.00 0.00 C ATOM 1872 O LEU A 115 -3.210 -13.275 -6.013 1.00 0.00 O ATOM 1873 CB LEU A 115 -0.502 -13.745 -4.238 1.00 0.00 C ATOM 1874 CG LEU A 115 0.947 -13.947 -4.683 1.00 0.00 C ATOM 1875 CD1 LEU A 115 1.019 -14.162 -6.187 1.00 0.00 C ATOM 1876 CD2 LEU A 115 1.802 -12.757 -4.271 1.00 0.00 C ATOM 0 H LEU A 115 -0.340 -11.475 -3.294 1.00 0.00 H new ATOM 0 HA LEU A 115 -0.846 -12.374 -5.858 1.00 0.00 H new ATOM 0 HB2 LEU A 115 -0.516 -13.633 -3.154 1.00 0.00 H new ATOM 0 HB3 LEU A 115 -1.062 -14.650 -4.472 1.00 0.00 H new ATOM 0 HG LEU A 115 1.337 -14.838 -4.191 1.00 0.00 H new ATOM 0 HD11 LEU A 115 2.058 -14.304 -6.485 1.00 0.00 H new ATOM 0 HD12 LEU A 115 0.440 -15.046 -6.456 1.00 0.00 H new ATOM 0 HD13 LEU A 115 0.610 -13.291 -6.699 1.00 0.00 H new ATOM 0 HD21 LEU A 115 2.830 -12.918 -4.596 1.00 0.00 H new ATOM 0 HD22 LEU A 115 1.412 -11.851 -4.735 1.00 0.00 H new ATOM 0 HD23 LEU A 115 1.777 -12.649 -3.187 1.00 0.00 H new ATOM 1888 N ASP A 116 -3.447 -12.640 -3.868 1.00 0.00 N ATOM 1889 CA ASP A 116 -4.884 -12.887 -3.839 1.00 0.00 C ATOM 1890 C ASP A 116 -5.630 -11.854 -4.678 1.00 0.00 C ATOM 1891 O ASP A 116 -6.597 -12.180 -5.365 1.00 0.00 O ATOM 1892 CB ASP A 116 -5.399 -12.860 -2.399 1.00 0.00 C ATOM 1893 CG ASP A 116 -5.367 -14.229 -1.747 1.00 0.00 C ATOM 1894 OD1 ASP A 116 -4.340 -14.926 -1.884 1.00 0.00 O ATOM 1895 OD2 ASP A 116 -6.368 -14.602 -1.101 1.00 0.00 O ATOM 0 H ASP A 116 -3.061 -12.294 -2.990 1.00 0.00 H new ATOM 0 HA ASP A 116 -5.066 -13.874 -4.264 1.00 0.00 H new ATOM 0 HB2 ASP A 116 -4.795 -12.167 -1.813 1.00 0.00 H new ATOM 0 HB3 ASP A 116 -6.420 -12.479 -2.389 1.00 0.00 H new ATOM 1900 N ALA A 117 -5.174 -10.608 -4.616 1.00 0.00 N ATOM 1901 CA ALA A 117 -5.797 -9.527 -5.371 1.00 0.00 C ATOM 1902 C ALA A 117 -5.311 -9.516 -6.816 1.00 0.00 C ATOM 1903 O ALA A 117 -5.928 -8.899 -7.683 1.00 0.00 O ATOM 1904 CB ALA A 117 -5.515 -8.188 -4.706 1.00 0.00 C ATOM 0 H ALA A 117 -4.375 -10.321 -4.051 1.00 0.00 H new ATOM 0 HA ALA A 117 -6.874 -9.696 -5.379 1.00 0.00 H new ATOM 0 HB1 ALA A 117 -5.986 -7.390 -5.280 1.00 0.00 H new ATOM 0 HB2 ALA A 117 -5.918 -8.193 -3.693 1.00 0.00 H new ATOM 0 HB3 ALA A 117 -4.439 -8.020 -4.667 1.00 0.00 H new ATOM 1910 N ALA A 118 -4.200 -10.201 -7.067 1.00 0.00 N ATOM 1911 CA ALA A 118 -3.632 -10.270 -8.408 1.00 0.00 C ATOM 1912 C ALA A 118 -4.190 -11.461 -9.180 1.00 0.00 C ATOM 1913 O ALA A 118 -4.556 -11.339 -10.350 1.00 0.00 O ATOM 1914 CB ALA A 118 -2.114 -10.351 -8.334 1.00 0.00 C ATOM 0 H ALA A 118 -3.676 -10.716 -6.360 1.00 0.00 H new ATOM 0 HA ALA A 118 -3.911 -9.362 -8.942 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -1.703 -10.402 -9.342 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -1.727 -9.466 -7.828 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -1.824 -11.243 -7.778 1.00 0.00 H new ATOM 1920 N LEU A 119 -4.252 -12.612 -8.519 1.00 0.00 N ATOM 1921 CA LEU A 119 -4.766 -13.826 -9.144 1.00 0.00 C ATOM 1922 C LEU A 119 -6.273 -13.733 -9.357 1.00 0.00 C ATOM 1923 O LEU A 119 -6.832 -14.411 -10.219 1.00 0.00 O ATOM 1924 CB LEU A 119 -4.436 -15.046 -8.283 1.00 0.00 C ATOM 1925 CG LEU A 119 -5.480 -15.429 -7.233 1.00 0.00 C ATOM 1926 CD1 LEU A 119 -6.500 -16.390 -7.823 1.00 0.00 C ATOM 1927 CD2 LEU A 119 -4.809 -16.042 -6.013 1.00 0.00 C ATOM 0 H LEU A 119 -3.953 -12.730 -7.551 1.00 0.00 H new ATOM 0 HA LEU A 119 -4.286 -13.935 -10.117 1.00 0.00 H new ATOM 0 HB2 LEU A 119 -4.283 -15.900 -8.942 1.00 0.00 H new ATOM 0 HB3 LEU A 119 -3.489 -14.862 -7.775 1.00 0.00 H new ATOM 0 HG LEU A 119 -6.002 -14.525 -6.919 1.00 0.00 H new ATOM 0 HD11 LEU A 119 -7.235 -16.652 -7.062 1.00 0.00 H new ATOM 0 HD12 LEU A 119 -7.003 -15.915 -8.665 1.00 0.00 H new ATOM 0 HD13 LEU A 119 -5.994 -17.293 -8.165 1.00 0.00 H new ATOM 0 HD21 LEU A 119 -5.567 -16.308 -5.276 1.00 0.00 H new ATOM 0 HD22 LEU A 119 -4.261 -16.936 -6.310 1.00 0.00 H new ATOM 0 HD23 LEU A 119 -4.117 -15.321 -5.577 1.00 0.00 H new