USER MOD reduce.3.24.130724 H: found=0, std=0, add=438, rem=0, adj=10 USER MOD reduce.3.24.130724 removed 440 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 24 ASN : amide:sc= 1.46 K(o=1,f=1.7) USER MOD Set 1.2: A 32 TYR OH : rot 165:sc= -0.431 USER MOD Set 2.1: A 18 ASN : amide:sc= -1.35 K(o=-2.3,f=-7.1!) USER MOD Set 2.2: A 21 MET CE :methyl 169:sc= -0.96 (180deg=-0.447) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ -175:sc= 2.37 (180deg=2.27) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 48 MET CE :methyl -175:sc= -0.257 (180deg=-0.346) USER MOD Single : A 55 GLN : amide:sc= -1.76! K(o=-1.8!,f=-0.059) USER MOD Single : A 56 LYS NZ :NH3+ -163:sc= 1.09 (180deg=0.857) USER MOD Single : A 58 GLN : amide:sc= 0.165 K(o=0.16,f=-0.46) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 63 ASN : amide:sc= -0.0822 K(o=-0.082,f=-6.5!) USER MOD Single : A 64 LYS NZ :NH3+ -150:sc= -2.47! (180deg=-2.59!) USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0553) USER MOD ----------------------------------------------------------------- ATOM 283 N ASN A 18 -7.688 9.425 2.380 1.00 44.25 N ATOM 284 CA ASN A 18 -6.771 8.447 2.999 1.00 61.33 C ATOM 285 C ASN A 18 -6.266 7.441 1.937 1.00 44.33 C ATOM 286 O ASN A 18 -7.059 6.705 1.352 1.00 60.12 O ATOM 287 CB ASN A 18 -7.454 7.714 4.174 1.00 51.41 C ATOM 288 CG ASN A 18 -6.596 6.605 4.767 1.00 34.31 C ATOM 289 OD1 ASN A 18 -5.375 6.657 4.730 1.00 73.42 O ATOM 290 ND2 ASN A 18 -7.229 5.594 5.329 1.00 71.41 N ATOM 0 HA ASN A 18 -5.913 8.986 3.400 1.00 61.33 H new ATOM 0 HB2 ASN A 18 -7.694 8.436 4.954 1.00 51.41 H new ATOM 0 HB3 ASN A 18 -8.398 7.291 3.831 1.00 51.41 H new ATOM 0 HD21 ASN A 18 -6.699 4.829 5.747 1.00 71.41 H new ATOM 0 HD22 ASN A 18 -8.249 5.577 5.346 1.00 71.41 H new ATOM 297 N PRO A 19 -4.934 7.382 1.697 1.00 61.35 N ATOM 298 CA PRO A 19 -4.339 6.621 0.574 1.00 33.53 C ATOM 299 C PRO A 19 -4.903 5.202 0.417 1.00 54.01 C ATOM 300 O PRO A 19 -5.129 4.736 -0.700 1.00 72.20 O ATOM 301 CB PRO A 19 -2.836 6.574 0.917 1.00 62.02 C ATOM 302 CG PRO A 19 -2.722 7.102 2.312 1.00 14.21 C ATOM 303 CD PRO A 19 -3.890 8.024 2.505 1.00 10.41 C ATOM 0 HA PRO A 19 -4.562 7.100 -0.379 1.00 33.53 H new ATOM 0 HB2 PRO A 19 -2.451 5.556 0.851 1.00 62.02 H new ATOM 0 HB3 PRO A 19 -2.256 7.180 0.221 1.00 62.02 H new ATOM 0 HG2 PRO A 19 -2.742 6.290 3.039 1.00 14.21 H new ATOM 0 HG3 PRO A 19 -1.780 7.632 2.452 1.00 14.21 H new ATOM 0 HD2 PRO A 19 -4.178 8.101 3.553 1.00 10.41 H new ATOM 0 HD3 PRO A 19 -3.672 9.034 2.159 1.00 10.41 H new ATOM 311 N VAL A 20 -5.137 4.522 1.534 1.00 72.20 N ATOM 312 CA VAL A 20 -5.685 3.164 1.503 1.00 11.45 C ATOM 313 C VAL A 20 -7.091 3.145 0.877 1.00 44.31 C ATOM 314 O VAL A 20 -7.321 2.494 -0.140 1.00 12.42 O ATOM 315 CB VAL A 20 -5.747 2.550 2.924 1.00 53.43 C ATOM 316 CG1 VAL A 20 -6.257 1.107 2.873 1.00 31.12 C ATOM 317 CG2 VAL A 20 -4.377 2.624 3.599 1.00 61.33 C ATOM 0 H VAL A 20 -4.958 4.884 2.471 1.00 72.20 H new ATOM 0 HA VAL A 20 -5.015 2.564 0.888 1.00 11.45 H new ATOM 0 HB VAL A 20 -6.451 3.131 3.519 1.00 53.43 H new ATOM 0 HG11 VAL A 20 -6.292 0.697 3.883 1.00 31.12 H new ATOM 0 HG12 VAL A 20 -7.257 1.090 2.440 1.00 31.12 H new ATOM 0 HG13 VAL A 20 -5.586 0.505 2.260 1.00 31.12 H new ATOM 0 HG21 VAL A 20 -4.439 2.188 4.596 1.00 61.33 H new ATOM 0 HG22 VAL A 20 -3.649 2.071 3.006 1.00 61.33 H new ATOM 0 HG23 VAL A 20 -4.065 3.666 3.677 1.00 61.33 H new ATOM 327 N MET A 21 -8.020 3.890 1.473 1.00 1.45 N ATOM 328 CA MET A 21 -9.405 3.934 0.980 1.00 71.24 C ATOM 329 C MET A 21 -9.491 4.587 -0.413 1.00 11.44 C ATOM 330 O MET A 21 -10.316 4.195 -1.237 1.00 71.14 O ATOM 331 CB MET A 21 -10.308 4.674 1.978 1.00 34.15 C ATOM 332 CG MET A 21 -10.382 4.002 3.343 1.00 2.21 C ATOM 333 SD MET A 21 -11.617 4.747 4.431 1.00 31.52 S ATOM 334 CE MET A 21 -10.970 6.412 4.606 1.00 51.40 C ATOM 0 H MET A 21 -7.846 4.470 2.294 1.00 1.45 H new ATOM 0 HA MET A 21 -9.755 2.906 0.885 1.00 71.24 H new ATOM 0 HB2 MET A 21 -9.940 5.693 2.103 1.00 34.15 H new ATOM 0 HB3 MET A 21 -11.313 4.746 1.562 1.00 34.15 H new ATOM 0 HG2 MET A 21 -10.614 2.945 3.209 1.00 2.21 H new ATOM 0 HG3 MET A 21 -9.404 4.056 3.822 1.00 2.21 H new ATOM 0 HE1 MET A 21 -11.718 7.044 5.085 1.00 51.40 H new ATOM 0 HE2 MET A 21 -10.068 6.389 5.218 1.00 51.40 H new ATOM 0 HE3 MET A 21 -10.731 6.815 3.622 1.00 51.40 H new ATOM 344 N GLU A 22 -8.635 5.580 -0.660 1.00 23.33 N ATOM 345 CA GLU A 22 -8.541 6.229 -1.978 1.00 21.12 C ATOM 346 C GLU A 22 -8.147 5.220 -3.065 1.00 72.11 C ATOM 347 O GLU A 22 -8.821 5.095 -4.089 1.00 31.53 O ATOM 348 CB GLU A 22 -7.515 7.373 -1.932 1.00 71.24 C ATOM 349 CG GLU A 22 -7.275 8.048 -3.280 1.00 42.30 C ATOM 350 CD GLU A 22 -6.372 9.268 -3.169 1.00 12.12 C ATOM 351 OE1 GLU A 22 -6.883 10.361 -2.848 1.00 52.14 O ATOM 352 OE2 GLU A 22 -5.152 9.143 -3.398 1.00 75.22 O ATOM 0 H GLU A 22 -7.992 5.957 0.036 1.00 23.33 H new ATOM 0 HA GLU A 22 -9.523 6.633 -2.225 1.00 21.12 H new ATOM 0 HB2 GLU A 22 -7.854 8.123 -1.217 1.00 71.24 H new ATOM 0 HB3 GLU A 22 -6.568 6.983 -1.559 1.00 71.24 H new ATOM 0 HG2 GLU A 22 -6.827 7.330 -3.967 1.00 42.30 H new ATOM 0 HG3 GLU A 22 -8.232 8.346 -3.709 1.00 42.30 H new ATOM 359 N LEU A 23 -7.056 4.498 -2.827 1.00 75.42 N ATOM 360 CA LEU A 23 -6.570 3.482 -3.763 1.00 0.40 C ATOM 361 C LEU A 23 -7.645 2.412 -4.036 1.00 61.13 C ATOM 362 O LEU A 23 -7.776 1.922 -5.158 1.00 4.34 O ATOM 363 CB LEU A 23 -5.293 2.839 -3.202 1.00 4.20 C ATOM 364 CG LEU A 23 -4.566 1.864 -4.141 1.00 0.33 C ATOM 365 CD1 LEU A 23 -4.114 2.570 -5.421 1.00 55.44 C ATOM 366 CD2 LEU A 23 -3.377 1.229 -3.425 1.00 61.03 C ATOM 0 H LEU A 23 -6.486 4.597 -1.987 1.00 75.42 H new ATOM 0 HA LEU A 23 -6.342 3.964 -4.714 1.00 0.40 H new ATOM 0 HB2 LEU A 23 -4.600 3.634 -2.927 1.00 4.20 H new ATOM 0 HB3 LEU A 23 -5.549 2.308 -2.285 1.00 4.20 H new ATOM 0 HG LEU A 23 -5.263 1.075 -4.424 1.00 0.33 H new ATOM 0 HD11 LEU A 23 -3.602 1.858 -6.068 1.00 55.44 H new ATOM 0 HD12 LEU A 23 -4.983 2.973 -5.941 1.00 55.44 H new ATOM 0 HD13 LEU A 23 -3.434 3.383 -5.167 1.00 55.44 H new ATOM 0 HD21 LEU A 23 -2.871 0.540 -4.101 1.00 61.03 H new ATOM 0 HD22 LEU A 23 -2.682 2.008 -3.113 1.00 61.03 H new ATOM 0 HD23 LEU A 23 -3.729 0.684 -2.549 1.00 61.03 H new ATOM 378 N ASN A 24 -8.426 2.074 -3.006 1.00 2.14 N ATOM 379 CA ASN A 24 -9.530 1.108 -3.137 1.00 0.24 C ATOM 380 C ASN A 24 -10.721 1.684 -3.929 1.00 22.54 C ATOM 381 O ASN A 24 -11.645 0.951 -4.295 1.00 2.41 O ATOM 382 CB ASN A 24 -9.988 0.636 -1.750 1.00 43.42 C ATOM 383 CG ASN A 24 -9.115 -0.480 -1.197 1.00 22.55 C ATOM 384 OD1 ASN A 24 -9.463 -1.657 -1.275 1.00 61.41 O ATOM 385 ND2 ASN A 24 -7.969 -0.131 -0.653 1.00 51.22 N ATOM 0 H ASN A 24 -8.316 2.455 -2.066 1.00 2.14 H new ATOM 0 HA ASN A 24 -9.151 0.256 -3.702 1.00 0.24 H new ATOM 0 HB2 ASN A 24 -9.974 1.480 -1.060 1.00 43.42 H new ATOM 0 HB3 ASN A 24 -11.020 0.290 -1.810 1.00 43.42 H new ATOM 0 HD21 ASN A 24 -7.342 -0.845 -0.282 1.00 51.22 H new ATOM 0 HD22 ASN A 24 -7.707 0.854 -0.602 1.00 51.22 H new ATOM 392 N GLU A 25 -10.720 2.995 -4.167 1.00 35.40 N ATOM 393 CA GLU A 25 -11.709 3.612 -5.061 1.00 20.23 C ATOM 394 C GLU A 25 -11.132 3.749 -6.475 1.00 44.31 C ATOM 395 O GLU A 25 -11.837 3.562 -7.468 1.00 2.21 O ATOM 396 CB GLU A 25 -12.155 4.990 -4.544 1.00 53.12 C ATOM 397 CG GLU A 25 -12.855 4.953 -3.189 1.00 44.32 C ATOM 398 CD GLU A 25 -13.538 6.269 -2.842 1.00 54.40 C ATOM 399 OE1 GLU A 25 -12.836 7.269 -2.593 1.00 72.22 O ATOM 400 OE2 GLU A 25 -14.788 6.304 -2.796 1.00 14.44 O ATOM 0 H GLU A 25 -10.052 3.649 -3.759 1.00 35.40 H new ATOM 0 HA GLU A 25 -12.583 2.961 -5.087 1.00 20.23 H new ATOM 0 HB2 GLU A 25 -11.282 5.638 -4.472 1.00 53.12 H new ATOM 0 HB3 GLU A 25 -12.827 5.440 -5.275 1.00 53.12 H new ATOM 0 HG2 GLU A 25 -13.596 4.153 -3.190 1.00 44.32 H new ATOM 0 HG3 GLU A 25 -12.126 4.712 -2.415 1.00 44.32 H new ATOM 407 N LYS A 26 -9.840 4.070 -6.559 1.00 11.23 N ATOM 408 CA LYS A 26 -9.159 4.216 -7.850 1.00 42.44 C ATOM 409 C LYS A 26 -9.019 2.855 -8.560 1.00 22.01 C ATOM 410 O LYS A 26 -9.091 2.768 -9.789 1.00 24.11 O ATOM 411 CB LYS A 26 -7.773 4.859 -7.656 1.00 5.24 C ATOM 412 CG LYS A 26 -7.799 6.178 -6.881 1.00 25.43 C ATOM 413 CD LYS A 26 -8.733 7.210 -7.513 1.00 20.42 C ATOM 414 CE LYS A 26 -8.253 7.667 -8.885 1.00 32.04 C ATOM 415 NZ LYS A 26 -9.190 8.649 -9.497 1.00 35.51 N ATOM 0 H LYS A 26 -9.242 4.234 -5.749 1.00 11.23 H new ATOM 0 HA LYS A 26 -9.766 4.867 -8.479 1.00 42.44 H new ATOM 0 HB2 LYS A 26 -7.128 4.154 -7.131 1.00 5.24 H new ATOM 0 HB3 LYS A 26 -7.325 5.034 -8.634 1.00 5.24 H new ATOM 0 HG2 LYS A 26 -8.115 5.987 -5.855 1.00 25.43 H new ATOM 0 HG3 LYS A 26 -6.790 6.587 -6.833 1.00 25.43 H new ATOM 0 HD2 LYS A 26 -9.732 6.784 -7.604 1.00 20.42 H new ATOM 0 HD3 LYS A 26 -8.814 8.074 -6.853 1.00 20.42 H new ATOM 0 HE2 LYS A 26 -7.264 8.116 -8.794 1.00 32.04 H new ATOM 0 HE3 LYS A 26 -8.151 6.803 -9.542 1.00 32.04 H new ATOM 0 HZ1 LYS A 26 -8.831 8.937 -10.429 1.00 35.51 H new ATOM 0 HZ2 LYS A 26 -10.127 8.212 -9.607 1.00 35.51 H new ATOM 0 HZ3 LYS A 26 -9.267 9.484 -8.883 1.00 35.51 H new ATOM 429 N ARG A 27 -8.810 1.802 -7.770 1.00 23.24 N ATOM 430 CA ARG A 27 -8.724 0.427 -8.285 1.00 55.53 C ATOM 431 C ARG A 27 -9.472 -0.561 -7.371 1.00 42.31 C ATOM 432 O ARG A 27 -9.638 -0.322 -6.174 1.00 51.25 O ATOM 433 CB ARG A 27 -7.257 -0.019 -8.413 1.00 33.23 C ATOM 434 CG ARG A 27 -6.470 0.677 -9.520 1.00 44.21 C ATOM 435 CD ARG A 27 -7.097 0.461 -10.893 1.00 43.32 C ATOM 436 NE ARG A 27 -6.177 0.818 -11.971 1.00 72.00 N ATOM 437 CZ ARG A 27 -6.446 1.662 -12.928 1.00 22.12 C ATOM 438 NH1 ARG A 27 -7.578 2.288 -12.957 1.00 32.15 N ATOM 439 NH2 ARG A 27 -5.576 1.883 -13.861 1.00 53.04 N ATOM 0 H ARG A 27 -8.695 1.873 -6.759 1.00 23.24 H new ATOM 0 HA ARG A 27 -9.192 0.423 -9.269 1.00 55.53 H new ATOM 0 HB2 ARG A 27 -6.754 0.158 -7.462 1.00 33.23 H new ATOM 0 HB3 ARG A 27 -7.233 -1.094 -8.591 1.00 33.23 H new ATOM 0 HG2 ARG A 27 -6.417 1.745 -9.310 1.00 44.21 H new ATOM 0 HG3 ARG A 27 -5.446 0.303 -9.527 1.00 44.21 H new ATOM 0 HD2 ARG A 27 -7.392 -0.583 -10.998 1.00 43.32 H new ATOM 0 HD3 ARG A 27 -8.005 1.059 -10.976 1.00 43.32 H new ATOM 0 HE ARG A 27 -5.258 0.375 -11.975 1.00 72.00 H new ATOM 0 HH11 ARG A 27 -8.271 2.124 -12.226 1.00 32.15 H new ATOM 0 HH12 ARG A 27 -7.778 2.946 -13.710 1.00 32.15 H new ATOM 0 HH21 ARG A 27 -4.679 1.397 -13.848 1.00 53.04 H new ATOM 0 HH22 ARG A 27 -5.787 2.543 -14.609 1.00 53.04 H new ATOM 453 N ARG A 28 -9.919 -1.672 -7.950 1.00 53.23 N ATOM 454 CA ARG A 28 -10.566 -2.751 -7.195 1.00 33.43 C ATOM 455 C ARG A 28 -9.768 -4.060 -7.309 1.00 53.21 C ATOM 456 O ARG A 28 -8.925 -4.212 -8.195 1.00 44.44 O ATOM 457 CB ARG A 28 -12.004 -2.958 -7.694 1.00 3.32 C ATOM 458 CG ARG A 28 -12.955 -1.817 -7.330 1.00 4.00 C ATOM 459 CD ARG A 28 -13.121 -1.681 -5.818 1.00 41.45 C ATOM 460 NE ARG A 28 -13.565 -2.934 -5.210 1.00 1.12 N ATOM 461 CZ ARG A 28 -13.649 -3.149 -3.927 1.00 14.03 C ATOM 462 NH1 ARG A 28 -13.373 -2.217 -3.070 1.00 62.24 N ATOM 463 NH2 ARG A 28 -14.025 -4.308 -3.509 1.00 11.44 N ATOM 0 H ARG A 28 -9.845 -1.853 -8.951 1.00 53.23 H new ATOM 0 HA ARG A 28 -10.594 -2.462 -6.144 1.00 33.43 H new ATOM 0 HB2 ARG A 28 -11.989 -3.074 -8.778 1.00 3.32 H new ATOM 0 HB3 ARG A 28 -12.392 -3.888 -7.279 1.00 3.32 H new ATOM 0 HG2 ARG A 28 -12.575 -0.881 -7.740 1.00 4.00 H new ATOM 0 HG3 ARG A 28 -13.928 -1.994 -7.789 1.00 4.00 H new ATOM 0 HD2 ARG A 28 -12.174 -1.376 -5.373 1.00 41.45 H new ATOM 0 HD3 ARG A 28 -13.843 -0.894 -5.600 1.00 41.45 H new ATOM 0 HE ARG A 28 -13.828 -3.696 -5.835 1.00 1.12 H new ATOM 0 HH11 ARG A 28 -13.084 -1.295 -3.395 1.00 62.24 H new ATOM 0 HH12 ARG A 28 -13.445 -2.406 -2.070 1.00 62.24 H new ATOM 0 HH21 ARG A 28 -14.252 -5.043 -4.179 1.00 11.44 H new ATOM 0 HH22 ARG A 28 -14.095 -4.491 -2.508 1.00 11.44 H new ATOM 477 N GLY A 29 -10.043 -5.004 -6.408 1.00 62.13 N ATOM 478 CA GLY A 29 -9.299 -6.261 -6.385 1.00 45.12 C ATOM 479 C GLY A 29 -7.854 -6.074 -5.939 1.00 70.13 C ATOM 480 O GLY A 29 -6.918 -6.474 -6.636 1.00 22.23 O ATOM 0 H GLY A 29 -10.766 -4.923 -5.693 1.00 62.13 H new ATOM 0 HA2 GLY A 29 -9.796 -6.961 -5.714 1.00 45.12 H new ATOM 0 HA3 GLY A 29 -9.314 -6.707 -7.379 1.00 45.12 H new ATOM 484 N LEU A 30 -7.672 -5.460 -4.772 1.00 43.04 N ATOM 485 CA LEU A 30 -6.335 -5.151 -4.257 1.00 73.04 C ATOM 486 C LEU A 30 -5.919 -6.130 -3.149 1.00 1.30 C ATOM 487 O LEU A 30 -6.742 -6.874 -2.615 1.00 73.23 O ATOM 488 CB LEU A 30 -6.298 -3.712 -3.718 1.00 13.12 C ATOM 489 CG LEU A 30 -6.768 -2.624 -4.701 1.00 43.43 C ATOM 490 CD1 LEU A 30 -6.706 -1.244 -4.052 1.00 4.35 C ATOM 491 CD2 LEU A 30 -5.938 -2.652 -5.981 1.00 25.45 C ATOM 0 H LEU A 30 -8.434 -5.165 -4.162 1.00 43.04 H new ATOM 0 HA LEU A 30 -5.629 -5.252 -5.081 1.00 73.04 H new ATOM 0 HB2 LEU A 30 -6.919 -3.662 -2.823 1.00 13.12 H new ATOM 0 HB3 LEU A 30 -5.277 -3.484 -3.411 1.00 13.12 H new ATOM 0 HG LEU A 30 -7.805 -2.833 -4.963 1.00 43.43 H new ATOM 0 HD11 LEU A 30 -7.043 -0.491 -4.765 1.00 4.35 H new ATOM 0 HD12 LEU A 30 -7.351 -1.226 -3.173 1.00 4.35 H new ATOM 0 HD13 LEU A 30 -5.680 -1.028 -3.754 1.00 4.35 H new ATOM 0 HD21 LEU A 30 -6.289 -1.874 -6.659 1.00 25.45 H new ATOM 0 HD22 LEU A 30 -4.890 -2.476 -5.739 1.00 25.45 H new ATOM 0 HD23 LEU A 30 -6.041 -3.625 -6.460 1.00 25.45 H new ATOM 503 N LYS A 31 -4.636 -6.123 -2.804 1.00 13.14 N ATOM 504 CA LYS A 31 -4.115 -6.977 -1.726 1.00 73.21 C ATOM 505 C LYS A 31 -3.268 -6.162 -0.738 1.00 61.32 C ATOM 506 O LYS A 31 -2.361 -5.447 -1.150 1.00 73.53 O ATOM 507 CB LYS A 31 -3.251 -8.107 -2.307 1.00 60.14 C ATOM 508 CG LYS A 31 -2.720 -9.077 -1.250 1.00 21.44 C ATOM 509 CD LYS A 31 -1.589 -9.954 -1.785 1.00 3.24 C ATOM 510 CE LYS A 31 -0.337 -9.138 -2.112 1.00 63.12 C ATOM 511 NZ LYS A 31 0.845 -10.009 -2.358 1.00 61.20 N ATOM 0 H LYS A 31 -3.931 -5.537 -3.252 1.00 13.14 H new ATOM 0 HA LYS A 31 -4.970 -7.400 -1.199 1.00 73.21 H new ATOM 0 HB2 LYS A 31 -3.839 -8.664 -3.037 1.00 60.14 H new ATOM 0 HB3 LYS A 31 -2.409 -7.670 -2.843 1.00 60.14 H new ATOM 0 HG2 LYS A 31 -2.363 -8.513 -0.389 1.00 21.44 H new ATOM 0 HG3 LYS A 31 -3.534 -9.711 -0.900 1.00 21.44 H new ATOM 0 HD2 LYS A 31 -1.342 -10.717 -1.047 1.00 3.24 H new ATOM 0 HD3 LYS A 31 -1.927 -10.475 -2.681 1.00 3.24 H new ATOM 0 HE2 LYS A 31 -0.524 -8.523 -2.992 1.00 63.12 H new ATOM 0 HE3 LYS A 31 -0.122 -8.458 -1.288 1.00 63.12 H new ATOM 0 HZ1 LYS A 31 1.690 -9.418 -2.492 1.00 61.20 H new ATOM 0 HZ2 LYS A 31 0.989 -10.638 -1.542 1.00 61.20 H new ATOM 0 HZ3 LYS A 31 0.683 -10.581 -3.212 1.00 61.20 H new ATOM 525 N TYR A 32 -3.570 -6.276 0.557 1.00 44.32 N ATOM 526 CA TYR A 32 -2.768 -5.635 1.613 1.00 3.54 C ATOM 527 C TYR A 32 -2.265 -6.679 2.623 1.00 41.11 C ATOM 528 O TYR A 32 -3.031 -7.158 3.459 1.00 51.20 O ATOM 529 CB TYR A 32 -3.590 -4.572 2.358 1.00 51.24 C ATOM 530 CG TYR A 32 -4.008 -3.386 1.510 1.00 72.25 C ATOM 531 CD1 TYR A 32 -5.151 -3.435 0.720 1.00 71.12 C ATOM 532 CD2 TYR A 32 -3.262 -2.212 1.511 1.00 2.24 C ATOM 533 CE1 TYR A 32 -5.538 -2.350 -0.040 1.00 15.43 C ATOM 534 CE2 TYR A 32 -3.646 -1.121 0.758 1.00 62.41 C ATOM 535 CZ TYR A 32 -4.783 -1.196 -0.019 1.00 73.30 C ATOM 536 OH TYR A 32 -5.177 -0.109 -0.767 1.00 74.54 O ATOM 0 H TYR A 32 -4.367 -6.808 0.906 1.00 44.32 H new ATOM 0 HA TYR A 32 -1.915 -5.156 1.131 1.00 3.54 H new ATOM 0 HB2 TYR A 32 -4.484 -5.043 2.765 1.00 51.24 H new ATOM 0 HB3 TYR A 32 -3.007 -4.209 3.205 1.00 51.24 H new ATOM 0 HD1 TYR A 32 -5.745 -4.336 0.701 1.00 71.12 H new ATOM 0 HD2 TYR A 32 -2.366 -2.153 2.112 1.00 2.24 H new ATOM 0 HE1 TYR A 32 -6.428 -2.404 -0.649 1.00 15.43 H new ATOM 0 HE2 TYR A 32 -3.060 -0.214 0.777 1.00 62.41 H new ATOM 0 HH TYR A 32 -4.692 0.688 -0.467 1.00 74.54 H new ATOM 546 N GLU A 33 -0.985 -7.034 2.543 1.00 74.10 N ATOM 547 CA GLU A 33 -0.400 -8.015 3.473 1.00 62.41 C ATOM 548 C GLU A 33 0.820 -7.445 4.209 1.00 55.15 C ATOM 549 O GLU A 33 1.356 -6.399 3.843 1.00 51.31 O ATOM 550 CB GLU A 33 0.000 -9.302 2.737 1.00 61.21 C ATOM 551 CG GLU A 33 1.135 -9.116 1.740 1.00 32.43 C ATOM 552 CD GLU A 33 1.575 -10.426 1.112 1.00 52.52 C ATOM 553 OE1 GLU A 33 0.845 -10.954 0.251 1.00 40.42 O ATOM 554 OE2 GLU A 33 2.646 -10.946 1.487 1.00 52.00 O ATOM 0 H GLU A 33 -0.332 -6.664 1.852 1.00 74.10 H new ATOM 0 HA GLU A 33 -1.169 -8.248 4.210 1.00 62.41 H new ATOM 0 HB2 GLU A 33 0.294 -10.052 3.471 1.00 61.21 H new ATOM 0 HB3 GLU A 33 -0.871 -9.694 2.212 1.00 61.21 H new ATOM 0 HG2 GLU A 33 0.817 -8.429 0.956 1.00 32.43 H new ATOM 0 HG3 GLU A 33 1.985 -8.654 2.243 1.00 32.43 H new ATOM 561 N LEU A 34 1.251 -8.152 5.245 1.00 23.12 N ATOM 562 CA LEU A 34 2.386 -7.726 6.067 1.00 43.31 C ATOM 563 C LEU A 34 3.693 -8.374 5.591 1.00 31.41 C ATOM 564 O LEU A 34 3.755 -9.588 5.382 1.00 62.20 O ATOM 565 CB LEU A 34 2.131 -8.092 7.535 1.00 20.15 C ATOM 566 CG LEU A 34 3.251 -7.709 8.522 1.00 12.40 C ATOM 567 CD1 LEU A 34 3.409 -6.192 8.604 1.00 12.43 C ATOM 568 CD2 LEU A 34 2.979 -8.304 9.902 1.00 63.03 C ATOM 0 H LEU A 34 0.830 -9.032 5.542 1.00 23.12 H new ATOM 0 HA LEU A 34 2.487 -6.645 5.970 1.00 43.31 H new ATOM 0 HB2 LEU A 34 1.208 -7.609 7.856 1.00 20.15 H new ATOM 0 HB3 LEU A 34 1.967 -9.168 7.599 1.00 20.15 H new ATOM 0 HG LEU A 34 4.188 -8.124 8.151 1.00 12.40 H new ATOM 0 HD11 LEU A 34 4.205 -5.947 9.307 1.00 12.43 H new ATOM 0 HD12 LEU A 34 3.660 -5.799 7.619 1.00 12.43 H new ATOM 0 HD13 LEU A 34 2.474 -5.747 8.945 1.00 12.43 H new ATOM 0 HD21 LEU A 34 3.781 -8.022 10.584 1.00 63.03 H new ATOM 0 HD22 LEU A 34 2.030 -7.925 10.281 1.00 63.03 H new ATOM 0 HD23 LEU A 34 2.932 -9.390 9.827 1.00 63.03 H new ATOM 580 N ILE A 35 4.731 -7.559 5.430 1.00 11.22 N ATOM 581 CA ILE A 35 6.054 -8.043 5.023 1.00 73.43 C ATOM 582 C ILE A 35 7.033 -8.051 6.213 1.00 64.30 C ATOM 583 O ILE A 35 7.640 -9.076 6.528 1.00 0.20 O ATOM 584 CB ILE A 35 6.637 -7.174 3.875 1.00 71.24 C ATOM 585 CG1 ILE A 35 5.658 -7.122 2.690 1.00 44.34 C ATOM 586 CG2 ILE A 35 7.996 -7.707 3.420 1.00 41.51 C ATOM 587 CD1 ILE A 35 5.342 -8.479 2.085 1.00 21.00 C ATOM 0 H ILE A 35 4.684 -6.551 5.576 1.00 11.22 H new ATOM 0 HA ILE A 35 5.929 -9.065 4.664 1.00 73.43 H new ATOM 0 HB ILE A 35 6.779 -6.163 4.256 1.00 71.24 H new ATOM 0 HG12 ILE A 35 4.729 -6.659 3.021 1.00 44.34 H new ATOM 0 HG13 ILE A 35 6.076 -6.480 1.915 1.00 44.34 H new ATOM 0 HG21 ILE A 35 8.382 -7.081 2.616 1.00 41.51 H new ATOM 0 HG22 ILE A 35 8.692 -7.691 4.258 1.00 41.51 H new ATOM 0 HG23 ILE A 35 7.884 -8.730 3.061 1.00 41.51 H new ATOM 0 HD11 ILE A 35 4.645 -8.354 1.256 1.00 21.00 H new ATOM 0 HD12 ILE A 35 6.261 -8.938 1.721 1.00 21.00 H new ATOM 0 HD13 ILE A 35 4.892 -9.120 2.844 1.00 21.00 H new ATOM 599 N SER A 36 7.173 -6.906 6.882 1.00 52.11 N ATOM 600 CA SER A 36 8.067 -6.785 8.049 1.00 15.53 C ATOM 601 C SER A 36 7.331 -6.177 9.247 1.00 13.25 C ATOM 602 O SER A 36 6.455 -5.327 9.084 1.00 13.41 O ATOM 603 CB SER A 36 9.297 -5.931 7.706 1.00 32.32 C ATOM 604 OG SER A 36 10.166 -5.798 8.823 1.00 52.31 O ATOM 0 H SER A 36 6.681 -6.045 6.641 1.00 52.11 H new ATOM 0 HA SER A 36 8.397 -7.789 8.317 1.00 15.53 H new ATOM 0 HB2 SER A 36 9.837 -6.386 6.876 1.00 32.32 H new ATOM 0 HB3 SER A 36 8.975 -4.944 7.374 1.00 32.32 H new ATOM 0 HG SER A 36 10.940 -5.251 8.572 1.00 52.31 H new ATOM 740 N PHE A 46 7.161 -1.138 10.663 1.00 24.24 N ATOM 741 CA PHE A 46 6.316 -2.090 9.932 1.00 23.53 C ATOM 742 C PHE A 46 6.391 -1.839 8.418 1.00 73.43 C ATOM 743 O PHE A 46 6.506 -0.696 7.976 1.00 14.24 O ATOM 744 CB PHE A 46 4.854 -1.958 10.391 1.00 42.43 C ATOM 745 CG PHE A 46 4.611 -2.314 11.841 1.00 63.42 C ATOM 746 CD1 PHE A 46 5.232 -1.610 12.865 1.00 24.10 C ATOM 747 CD2 PHE A 46 3.754 -3.349 12.176 1.00 50.05 C ATOM 748 CE1 PHE A 46 5.003 -1.934 14.187 1.00 34.05 C ATOM 749 CE2 PHE A 46 3.522 -3.675 13.498 1.00 40.33 C ATOM 750 CZ PHE A 46 4.147 -2.968 14.504 1.00 42.11 C ATOM 0 HA PHE A 46 6.681 -3.095 10.144 1.00 23.53 H new ATOM 0 HB2 PHE A 46 4.526 -0.932 10.223 1.00 42.43 H new ATOM 0 HB3 PHE A 46 4.232 -2.598 9.765 1.00 42.43 H new ATOM 0 HD1 PHE A 46 5.903 -0.799 12.624 1.00 24.10 H new ATOM 0 HD2 PHE A 46 3.261 -3.908 11.394 1.00 50.05 H new ATOM 0 HE1 PHE A 46 5.494 -1.378 14.972 1.00 34.05 H new ATOM 0 HE2 PHE A 46 2.851 -4.484 13.744 1.00 40.33 H new ATOM 0 HZ PHE A 46 3.966 -3.224 15.538 1.00 42.11 H new ATOM 760 N VAL A 47 6.317 -2.911 7.631 1.00 22.31 N ATOM 761 CA VAL A 47 6.331 -2.812 6.163 1.00 33.31 C ATOM 762 C VAL A 47 5.192 -3.641 5.548 1.00 11.24 C ATOM 763 O VAL A 47 5.119 -4.852 5.760 1.00 34.41 O ATOM 764 CB VAL A 47 7.680 -3.295 5.565 1.00 50.11 C ATOM 765 CG1 VAL A 47 7.679 -3.175 4.042 1.00 44.34 C ATOM 766 CG2 VAL A 47 8.852 -2.525 6.168 1.00 72.34 C ATOM 0 H VAL A 47 6.246 -3.866 7.983 1.00 22.31 H new ATOM 0 HA VAL A 47 6.195 -1.758 5.919 1.00 33.31 H new ATOM 0 HB VAL A 47 7.800 -4.348 5.820 1.00 50.11 H new ATOM 0 HG11 VAL A 47 8.635 -3.520 3.649 1.00 44.34 H new ATOM 0 HG12 VAL A 47 6.876 -3.786 3.629 1.00 44.34 H new ATOM 0 HG13 VAL A 47 7.525 -2.134 3.759 1.00 44.34 H new ATOM 0 HG21 VAL A 47 9.785 -2.883 5.732 1.00 72.34 H new ATOM 0 HG22 VAL A 47 8.736 -1.462 5.956 1.00 72.34 H new ATOM 0 HG23 VAL A 47 8.873 -2.680 7.247 1.00 72.34 H new ATOM 776 N MET A 48 4.313 -2.988 4.787 1.00 14.14 N ATOM 777 CA MET A 48 3.165 -3.664 4.159 1.00 61.32 C ATOM 778 C MET A 48 3.292 -3.669 2.624 1.00 30.24 C ATOM 779 O MET A 48 3.908 -2.774 2.040 1.00 24.23 O ATOM 780 CB MET A 48 1.857 -2.966 4.570 1.00 2.44 C ATOM 781 CG MET A 48 1.634 -2.906 6.077 1.00 63.14 C ATOM 782 SD MET A 48 1.271 -4.514 6.813 1.00 4.04 S ATOM 783 CE MET A 48 -0.360 -4.847 6.149 1.00 30.24 C ATOM 0 H MET A 48 4.370 -1.989 4.587 1.00 14.14 H new ATOM 0 HA MET A 48 3.152 -4.698 4.504 1.00 61.32 H new ATOM 0 HB2 MET A 48 1.858 -1.951 4.172 1.00 2.44 H new ATOM 0 HB3 MET A 48 1.018 -3.488 4.109 1.00 2.44 H new ATOM 0 HG2 MET A 48 2.522 -2.490 6.552 1.00 63.14 H new ATOM 0 HG3 MET A 48 0.810 -2.224 6.288 1.00 63.14 H new ATOM 0 HE1 MET A 48 -0.751 -5.766 6.587 1.00 30.24 H new ATOM 0 HE2 MET A 48 -1.027 -4.019 6.389 1.00 30.24 H new ATOM 0 HE3 MET A 48 -0.296 -4.960 5.067 1.00 30.24 H new ATOM 793 N GLU A 49 2.707 -4.680 1.979 1.00 62.25 N ATOM 794 CA GLU A 49 2.736 -4.796 0.512 1.00 73.02 C ATOM 795 C GLU A 49 1.326 -4.660 -0.086 1.00 33.04 C ATOM 796 O GLU A 49 0.376 -5.291 0.389 1.00 4.53 O ATOM 797 CB GLU A 49 3.343 -6.146 0.099 1.00 44.43 C ATOM 798 CG GLU A 49 3.465 -6.340 -1.410 1.00 34.32 C ATOM 799 CD GLU A 49 3.985 -7.719 -1.790 1.00 13.31 C ATOM 800 OE1 GLU A 49 3.161 -8.641 -1.975 1.00 73.12 O ATOM 801 OE2 GLU A 49 5.221 -7.889 -1.908 1.00 53.30 O ATOM 0 H GLU A 49 2.205 -5.434 2.447 1.00 62.25 H new ATOM 0 HA GLU A 49 3.354 -3.985 0.126 1.00 73.02 H new ATOM 0 HB2 GLU A 49 4.332 -6.240 0.547 1.00 44.43 H new ATOM 0 HB3 GLU A 49 2.730 -6.948 0.509 1.00 44.43 H new ATOM 0 HG2 GLU A 49 2.490 -6.185 -1.871 1.00 34.32 H new ATOM 0 HG3 GLU A 49 4.133 -5.581 -1.816 1.00 34.32 H new ATOM 808 N VAL A 50 1.197 -3.837 -1.128 1.00 12.55 N ATOM 809 CA VAL A 50 -0.087 -3.642 -1.808 1.00 74.32 C ATOM 810 C VAL A 50 -0.022 -4.071 -3.285 1.00 11.33 C ATOM 811 O VAL A 50 0.922 -3.740 -4.003 1.00 4.23 O ATOM 812 CB VAL A 50 -0.565 -2.168 -1.718 1.00 11.32 C ATOM 813 CG1 VAL A 50 0.422 -1.221 -2.401 1.00 63.44 C ATOM 814 CG2 VAL A 50 -1.966 -2.017 -2.313 1.00 33.44 C ATOM 0 H VAL A 50 1.966 -3.294 -1.521 1.00 12.55 H new ATOM 0 HA VAL A 50 -0.807 -4.277 -1.292 1.00 74.32 H new ATOM 0 HB VAL A 50 -0.609 -1.895 -0.664 1.00 11.32 H new ATOM 0 HG11 VAL A 50 0.058 -0.197 -2.321 1.00 63.44 H new ATOM 0 HG12 VAL A 50 1.396 -1.300 -1.917 1.00 63.44 H new ATOM 0 HG13 VAL A 50 0.517 -1.491 -3.453 1.00 63.44 H new ATOM 0 HG21 VAL A 50 -2.282 -0.976 -2.240 1.00 33.44 H new ATOM 0 HG22 VAL A 50 -1.951 -2.319 -3.360 1.00 33.44 H new ATOM 0 HG23 VAL A 50 -2.665 -2.648 -1.763 1.00 33.44 H new ATOM 824 N GLU A 51 -1.028 -4.825 -3.723 1.00 71.43 N ATOM 825 CA GLU A 51 -1.136 -5.253 -5.124 1.00 62.31 C ATOM 826 C GLU A 51 -2.142 -4.384 -5.896 1.00 33.14 C ATOM 827 O GLU A 51 -3.349 -4.450 -5.653 1.00 21.24 O ATOM 828 CB GLU A 51 -1.562 -6.727 -5.201 1.00 11.44 C ATOM 829 CG GLU A 51 -1.836 -7.215 -6.624 1.00 20.23 C ATOM 830 CD GLU A 51 -2.420 -8.620 -6.670 1.00 23.41 C ATOM 831 OE1 GLU A 51 -3.635 -8.771 -6.424 1.00 70.10 O ATOM 832 OE2 GLU A 51 -1.665 -9.573 -6.950 1.00 60.15 O ATOM 0 H GLU A 51 -1.787 -5.156 -3.127 1.00 71.43 H new ATOM 0 HA GLU A 51 -0.154 -5.135 -5.583 1.00 62.31 H new ATOM 0 HB2 GLU A 51 -0.781 -7.345 -4.759 1.00 11.44 H new ATOM 0 HB3 GLU A 51 -2.460 -6.868 -4.599 1.00 11.44 H new ATOM 0 HG2 GLU A 51 -2.525 -6.525 -7.112 1.00 20.23 H new ATOM 0 HG3 GLU A 51 -0.907 -7.195 -7.194 1.00 20.23 H new ATOM 839 N VAL A 52 -1.638 -3.567 -6.816 1.00 63.00 N ATOM 840 CA VAL A 52 -2.486 -2.723 -7.668 1.00 24.42 C ATOM 841 C VAL A 52 -2.238 -3.029 -9.154 1.00 73.45 C ATOM 842 O VAL A 52 -1.104 -2.940 -9.630 1.00 72.34 O ATOM 843 CB VAL A 52 -2.218 -1.220 -7.409 1.00 15.41 C ATOM 844 CG1 VAL A 52 -3.253 -0.347 -8.118 1.00 52.23 C ATOM 845 CG2 VAL A 52 -2.188 -0.927 -5.911 1.00 12.15 C ATOM 0 H VAL A 52 -0.639 -3.468 -6.995 1.00 63.00 H new ATOM 0 HA VAL A 52 -3.523 -2.947 -7.419 1.00 24.42 H new ATOM 0 HB VAL A 52 -1.239 -0.975 -7.822 1.00 15.41 H new ATOM 0 HG11 VAL A 52 -3.041 0.703 -7.919 1.00 52.23 H new ATOM 0 HG12 VAL A 52 -3.208 -0.529 -9.192 1.00 52.23 H new ATOM 0 HG13 VAL A 52 -4.249 -0.592 -7.750 1.00 52.23 H new ATOM 0 HG21 VAL A 52 -1.998 0.134 -5.752 1.00 12.15 H new ATOM 0 HG22 VAL A 52 -3.148 -1.195 -5.469 1.00 12.15 H new ATOM 0 HG23 VAL A 52 -1.397 -1.511 -5.442 1.00 12.15 H new ATOM 855 N ASP A 53 -3.298 -3.404 -9.877 1.00 30.01 N ATOM 856 CA ASP A 53 -3.183 -3.781 -11.295 1.00 32.45 C ATOM 857 C ASP A 53 -2.218 -4.969 -11.484 1.00 72.31 C ATOM 858 O ASP A 53 -1.649 -5.162 -12.559 1.00 22.23 O ATOM 859 CB ASP A 53 -2.718 -2.582 -12.136 1.00 54.44 C ATOM 860 CG ASP A 53 -3.758 -1.474 -12.193 1.00 20.42 C ATOM 861 OD1 ASP A 53 -4.817 -1.684 -12.815 1.00 24.54 O ATOM 862 OD2 ASP A 53 -3.520 -0.387 -11.633 1.00 11.32 O ATOM 0 H ASP A 53 -4.247 -3.456 -9.506 1.00 30.01 H new ATOM 0 HA ASP A 53 -4.171 -4.090 -11.636 1.00 32.45 H new ATOM 0 HB2 ASP A 53 -1.792 -2.186 -11.718 1.00 54.44 H new ATOM 0 HB3 ASP A 53 -2.493 -2.918 -13.148 1.00 54.44 H new ATOM 867 N GLY A 54 -2.047 -5.768 -10.430 1.00 0.40 N ATOM 868 CA GLY A 54 -1.117 -6.893 -10.475 1.00 2.15 C ATOM 869 C GLY A 54 0.288 -6.534 -9.993 1.00 2.05 C ATOM 870 O GLY A 54 1.117 -7.415 -9.753 1.00 12.32 O ATOM 0 H GLY A 54 -2.537 -5.657 -9.542 1.00 0.40 H new ATOM 0 HA2 GLY A 54 -1.508 -7.704 -9.861 1.00 2.15 H new ATOM 0 HA3 GLY A 54 -1.059 -7.267 -11.497 1.00 2.15 H new ATOM 874 N GLN A 55 0.551 -5.238 -9.837 1.00 52.11 N ATOM 875 CA GLN A 55 1.871 -4.747 -9.422 1.00 31.12 C ATOM 876 C GLN A 55 1.953 -4.602 -7.895 1.00 72.23 C ATOM 877 O GLN A 55 1.034 -4.082 -7.267 1.00 52.33 O ATOM 878 CB GLN A 55 2.143 -3.391 -10.087 1.00 25.05 C ATOM 879 CG GLN A 55 2.061 -3.425 -11.609 1.00 40.42 C ATOM 880 CD GLN A 55 2.139 -2.041 -12.230 1.00 13.05 C ATOM 881 OE1 GLN A 55 3.217 -1.539 -12.533 1.00 3.13 O ATOM 882 NE2 GLN A 55 0.996 -1.410 -12.418 1.00 61.13 N ATOM 0 H GLN A 55 -0.136 -4.501 -9.992 1.00 52.11 H new ATOM 0 HA GLN A 55 2.623 -5.471 -9.735 1.00 31.12 H new ATOM 0 HB2 GLN A 55 1.426 -2.662 -9.710 1.00 25.05 H new ATOM 0 HB3 GLN A 55 3.134 -3.045 -9.793 1.00 25.05 H new ATOM 0 HG2 GLN A 55 2.872 -4.040 -11.999 1.00 40.42 H new ATOM 0 HG3 GLN A 55 1.127 -3.901 -11.908 1.00 40.42 H new ATOM 0 HE21 GLN A 55 0.118 -1.857 -12.155 1.00 61.13 H new ATOM 0 HE22 GLN A 55 0.991 -0.475 -12.827 1.00 61.13 H new ATOM 891 N LYS A 56 3.055 -5.058 -7.299 1.00 54.23 N ATOM 892 CA LYS A 56 3.221 -5.008 -5.840 1.00 33.34 C ATOM 893 C LYS A 56 4.156 -3.869 -5.404 1.00 2.12 C ATOM 894 O LYS A 56 5.299 -3.771 -5.860 1.00 70.42 O ATOM 895 CB LYS A 56 3.744 -6.352 -5.301 1.00 32.13 C ATOM 896 CG LYS A 56 2.718 -7.487 -5.336 1.00 24.10 C ATOM 897 CD LYS A 56 2.483 -8.020 -6.749 1.00 34.01 C ATOM 898 CE LYS A 56 1.481 -9.168 -6.751 1.00 33.01 C ATOM 899 NZ LYS A 56 1.272 -9.738 -8.109 1.00 41.11 N ATOM 0 H LYS A 56 3.845 -5.465 -7.799 1.00 54.23 H new ATOM 0 HA LYS A 56 2.236 -4.812 -5.416 1.00 33.34 H new ATOM 0 HB2 LYS A 56 4.617 -6.649 -5.883 1.00 32.13 H new ATOM 0 HB3 LYS A 56 4.079 -6.212 -4.273 1.00 32.13 H new ATOM 0 HG2 LYS A 56 3.059 -8.301 -4.696 1.00 24.10 H new ATOM 0 HG3 LYS A 56 1.774 -7.132 -4.923 1.00 24.10 H new ATOM 0 HD2 LYS A 56 2.118 -7.215 -7.387 1.00 34.01 H new ATOM 0 HD3 LYS A 56 3.428 -8.359 -7.173 1.00 34.01 H new ATOM 0 HE2 LYS A 56 1.831 -9.953 -6.081 1.00 33.01 H new ATOM 0 HE3 LYS A 56 0.528 -8.815 -6.358 1.00 33.01 H new ATOM 0 HZ1 LYS A 56 0.397 -10.301 -8.119 1.00 41.11 H new ATOM 0 HZ2 LYS A 56 1.195 -8.966 -8.801 1.00 41.11 H new ATOM 0 HZ3 LYS A 56 2.078 -10.347 -8.358 1.00 41.11 H new ATOM 913 N PHE A 57 3.654 -3.008 -4.522 1.00 50.31 N ATOM 914 CA PHE A 57 4.444 -1.911 -3.950 1.00 44.41 C ATOM 915 C PHE A 57 4.514 -2.038 -2.418 1.00 52.15 C ATOM 916 O PHE A 57 3.506 -2.311 -1.767 1.00 21.02 O ATOM 917 CB PHE A 57 3.827 -0.555 -4.330 1.00 60.24 C ATOM 918 CG PHE A 57 3.727 -0.321 -5.820 1.00 2.03 C ATOM 919 CD1 PHE A 57 2.609 -0.741 -6.528 1.00 42.45 C ATOM 920 CD2 PHE A 57 4.744 0.329 -6.509 1.00 34.41 C ATOM 921 CE1 PHE A 57 2.512 -0.526 -7.889 1.00 42.21 C ATOM 922 CE2 PHE A 57 4.650 0.545 -7.871 1.00 15.24 C ATOM 923 CZ PHE A 57 3.531 0.121 -8.561 1.00 72.43 C ATOM 0 H PHE A 57 2.693 -3.047 -4.182 1.00 50.31 H new ATOM 0 HA PHE A 57 5.454 -1.970 -4.355 1.00 44.41 H new ATOM 0 HB2 PHE A 57 2.830 -0.486 -3.894 1.00 60.24 H new ATOM 0 HB3 PHE A 57 4.425 0.242 -3.887 1.00 60.24 H new ATOM 0 HD1 PHE A 57 1.806 -1.242 -6.008 1.00 42.45 H new ATOM 0 HD2 PHE A 57 5.618 0.669 -5.974 1.00 34.41 H new ATOM 0 HE1 PHE A 57 1.639 -0.864 -8.428 1.00 42.21 H new ATOM 0 HE2 PHE A 57 5.451 1.045 -8.395 1.00 15.24 H new ATOM 0 HZ PHE A 57 3.453 0.295 -9.624 1.00 72.43 H new ATOM 933 N GLN A 58 5.699 -1.837 -1.844 1.00 54.31 N ATOM 934 CA GLN A 58 5.884 -1.962 -0.389 1.00 52.34 C ATOM 935 C GLN A 58 6.173 -0.609 0.281 1.00 12.32 C ATOM 936 O GLN A 58 6.957 0.200 -0.223 1.00 72.41 O ATOM 937 CB GLN A 58 7.015 -2.956 -0.080 1.00 22.11 C ATOM 938 CG GLN A 58 6.635 -4.415 -0.317 1.00 63.40 C ATOM 939 CD GLN A 58 7.795 -5.372 -0.108 1.00 1.25 C ATOM 940 OE1 GLN A 58 8.716 -5.101 0.661 1.00 65.04 O ATOM 941 NE2 GLN A 58 7.753 -6.507 -0.775 1.00 5.24 N ATOM 0 H GLN A 58 6.545 -1.588 -2.356 1.00 54.31 H new ATOM 0 HA GLN A 58 4.947 -2.336 0.024 1.00 52.34 H new ATOM 0 HB2 GLN A 58 7.880 -2.711 -0.696 1.00 22.11 H new ATOM 0 HB3 GLN A 58 7.319 -2.834 0.959 1.00 22.11 H new ATOM 0 HG2 GLN A 58 5.821 -4.687 0.356 1.00 63.40 H new ATOM 0 HG3 GLN A 58 6.258 -4.526 -1.334 1.00 63.40 H new ATOM 0 HE21 GLN A 58 6.974 -6.700 -1.405 1.00 5.24 H new ATOM 0 HE22 GLN A 58 8.499 -7.193 -0.662 1.00 5.24 H new ATOM 950 N GLY A 59 5.548 -0.384 1.435 1.00 14.12 N ATOM 951 CA GLY A 59 5.750 0.854 2.189 1.00 72.51 C ATOM 952 C GLY A 59 6.002 0.608 3.675 1.00 72.15 C ATOM 953 O GLY A 59 5.508 -0.370 4.241 1.00 72.40 O ATOM 0 H GLY A 59 4.899 -1.040 1.869 1.00 14.12 H new ATOM 0 HA2 GLY A 59 6.596 1.397 1.767 1.00 72.51 H new ATOM 0 HA3 GLY A 59 4.873 1.491 2.075 1.00 72.51 H new ATOM 957 N ALA A 60 6.760 1.501 4.312 1.00 10.01 N ATOM 958 CA ALA A 60 7.131 1.337 5.723 1.00 22.04 C ATOM 959 C ALA A 60 6.565 2.460 6.609 1.00 41.44 C ATOM 960 O ALA A 60 6.643 3.638 6.262 1.00 54.42 O ATOM 961 CB ALA A 60 8.648 1.277 5.856 1.00 22.23 C ATOM 0 H ALA A 60 7.130 2.346 3.876 1.00 10.01 H new ATOM 0 HA ALA A 60 6.694 0.401 6.070 1.00 22.04 H new ATOM 0 HB1 ALA A 60 8.917 1.155 6.905 1.00 22.23 H new ATOM 0 HB2 ALA A 60 9.030 0.432 5.283 1.00 22.23 H new ATOM 0 HB3 ALA A 60 9.083 2.201 5.475 1.00 22.23 H new ATOM 967 N GLY A 61 6.003 2.079 7.758 1.00 71.05 N ATOM 968 CA GLY A 61 5.459 3.049 8.709 1.00 30.12 C ATOM 969 C GLY A 61 5.576 2.581 10.160 1.00 4.04 C ATOM 970 O GLY A 61 6.036 1.471 10.425 1.00 73.42 O ATOM 0 H GLY A 61 5.913 1.106 8.052 1.00 71.05 H new ATOM 0 HA2 GLY A 61 5.983 3.998 8.594 1.00 30.12 H new ATOM 0 HA3 GLY A 61 4.411 3.233 8.474 1.00 30.12 H new ATOM 974 N SER A 62 5.148 3.422 11.104 1.00 1.03 N ATOM 975 CA SER A 62 5.246 3.100 12.545 1.00 12.43 C ATOM 976 C SER A 62 4.196 2.068 13.001 1.00 74.40 C ATOM 977 O SER A 62 4.128 1.727 14.181 1.00 34.25 O ATOM 978 CB SER A 62 5.121 4.377 13.391 1.00 20.13 C ATOM 979 OG SER A 62 6.207 5.262 13.157 1.00 75.44 O ATOM 0 H SER A 62 4.730 4.331 10.906 1.00 1.03 H new ATOM 0 HA SER A 62 6.228 2.651 12.696 1.00 12.43 H new ATOM 0 HB2 SER A 62 4.183 4.880 13.157 1.00 20.13 H new ATOM 0 HB3 SER A 62 5.086 4.113 14.448 1.00 20.13 H new ATOM 0 HG SER A 62 6.099 6.065 13.708 1.00 75.44 H new ATOM 985 N ASN A 63 3.373 1.588 12.075 1.00 31.42 N ATOM 986 CA ASN A 63 2.408 0.512 12.357 1.00 41.21 C ATOM 987 C ASN A 63 1.830 -0.052 11.050 1.00 12.53 C ATOM 988 O ASN A 63 2.043 0.524 9.983 1.00 72.10 O ATOM 989 CB ASN A 63 1.278 1.000 13.277 1.00 54.42 C ATOM 990 CG ASN A 63 0.610 2.259 12.764 1.00 3.51 C ATOM 991 OD1 ASN A 63 -0.285 2.204 11.928 1.00 23.15 O ATOM 992 ND2 ASN A 63 1.026 3.404 13.271 1.00 52.30 N ATOM 0 H ASN A 63 3.349 1.925 11.113 1.00 31.42 H new ATOM 0 HA ASN A 63 2.942 -0.285 12.876 1.00 41.21 H new ATOM 0 HB2 ASN A 63 0.531 0.212 13.378 1.00 54.42 H new ATOM 0 HB3 ASN A 63 1.681 1.187 14.273 1.00 54.42 H new ATOM 0 HD21 ASN A 63 0.600 4.280 12.969 1.00 52.30 H new ATOM 0 HD22 ASN A 63 1.773 3.413 13.965 1.00 52.30 H new ATOM 999 N LYS A 64 1.102 -1.173 11.138 1.00 32.54 N ATOM 1000 CA LYS A 64 0.523 -1.829 9.948 1.00 34.13 C ATOM 1001 C LYS A 64 -0.237 -0.831 9.060 1.00 54.32 C ATOM 1002 O LYS A 64 0.042 -0.692 7.871 1.00 1.42 O ATOM 1003 CB LYS A 64 -0.457 -2.947 10.351 1.00 64.20 C ATOM 1004 CG LYS A 64 0.146 -4.092 11.164 1.00 62.42 C ATOM 1005 CD LYS A 64 -0.931 -5.122 11.524 1.00 65.02 C ATOM 1006 CE LYS A 64 -0.404 -6.255 12.399 1.00 22.20 C ATOM 1007 NZ LYS A 64 0.611 -7.079 11.698 1.00 32.51 N ATOM 0 H LYS A 64 0.898 -1.647 12.018 1.00 32.54 H new ATOM 0 HA LYS A 64 1.362 -2.247 9.392 1.00 34.13 H new ATOM 0 HB2 LYS A 64 -1.269 -2.504 10.928 1.00 64.20 H new ATOM 0 HB3 LYS A 64 -0.899 -3.362 9.445 1.00 64.20 H new ATOM 0 HG2 LYS A 64 0.940 -4.572 10.592 1.00 62.42 H new ATOM 0 HG3 LYS A 64 0.601 -3.700 12.074 1.00 62.42 H new ATOM 0 HD2 LYS A 64 -1.747 -4.620 12.043 1.00 65.02 H new ATOM 0 HD3 LYS A 64 -1.346 -5.541 10.607 1.00 65.02 H new ATOM 0 HE2 LYS A 64 0.033 -5.838 13.306 1.00 22.20 H new ATOM 0 HE3 LYS A 64 -1.235 -6.890 12.708 1.00 22.20 H new ATOM 0 HZ1 LYS A 64 0.574 -8.055 12.056 1.00 32.51 H new ATOM 0 HZ2 LYS A 64 0.414 -7.077 10.677 1.00 32.51 H new ATOM 0 HZ3 LYS A 64 1.558 -6.683 11.869 1.00 32.51 H new ATOM 1021 N LYS A 65 -1.190 -0.132 9.664 1.00 5.24 N ATOM 1022 CA LYS A 65 -2.115 0.739 8.930 1.00 61.23 C ATOM 1023 C LYS A 65 -1.411 1.965 8.316 1.00 41.54 C ATOM 1024 O LYS A 65 -1.722 2.369 7.192 1.00 51.12 O ATOM 1025 CB LYS A 65 -3.254 1.149 9.871 1.00 43.11 C ATOM 1026 CG LYS A 65 -4.004 -0.064 10.426 1.00 74.22 C ATOM 1027 CD LYS A 65 -4.912 0.271 11.607 1.00 41.32 C ATOM 1028 CE LYS A 65 -6.097 1.142 11.214 1.00 53.33 C ATOM 1029 NZ LYS A 65 -7.103 1.206 12.306 1.00 21.13 N ATOM 0 H LYS A 65 -1.348 -0.149 10.672 1.00 5.24 H new ATOM 0 HA LYS A 65 -2.522 0.185 8.084 1.00 61.23 H new ATOM 0 HB2 LYS A 65 -2.849 1.734 10.697 1.00 43.11 H new ATOM 0 HB3 LYS A 65 -3.952 1.793 9.336 1.00 43.11 H new ATOM 0 HG2 LYS A 65 -4.604 -0.506 9.630 1.00 74.22 H new ATOM 0 HG3 LYS A 65 -3.281 -0.818 10.736 1.00 74.22 H new ATOM 0 HD2 LYS A 65 -5.279 -0.654 12.051 1.00 41.32 H new ATOM 0 HD3 LYS A 65 -4.329 0.783 12.373 1.00 41.32 H new ATOM 0 HE2 LYS A 65 -5.750 2.148 10.977 1.00 53.33 H new ATOM 0 HE3 LYS A 65 -6.561 0.744 10.312 1.00 53.33 H new ATOM 0 HZ1 LYS A 65 -7.899 1.806 12.010 1.00 21.13 H new ATOM 0 HZ2 LYS A 65 -7.450 0.248 12.514 1.00 21.13 H new ATOM 0 HZ3 LYS A 65 -6.664 1.608 13.159 1.00 21.13 H new ATOM 1043 N VAL A 66 -0.461 2.548 9.045 1.00 64.02 N ATOM 1044 CA VAL A 66 0.360 3.640 8.502 1.00 32.22 C ATOM 1045 C VAL A 66 1.288 3.132 7.383 1.00 32.34 C ATOM 1046 O VAL A 66 1.513 3.820 6.385 1.00 10.41 O ATOM 1047 CB VAL A 66 1.193 4.332 9.615 1.00 35.13 C ATOM 1048 CG1 VAL A 66 2.224 5.294 9.027 1.00 71.54 C ATOM 1049 CG2 VAL A 66 0.272 5.076 10.579 1.00 73.41 C ATOM 0 H VAL A 66 -0.238 2.289 10.006 1.00 64.02 H new ATOM 0 HA VAL A 66 -0.323 4.377 8.079 1.00 32.22 H new ATOM 0 HB VAL A 66 1.731 3.555 10.159 1.00 35.13 H new ATOM 0 HG11 VAL A 66 2.789 5.760 9.834 1.00 71.54 H new ATOM 0 HG12 VAL A 66 2.906 4.744 8.378 1.00 71.54 H new ATOM 0 HG13 VAL A 66 1.714 6.065 8.449 1.00 71.54 H new ATOM 0 HG21 VAL A 66 0.869 5.557 11.354 1.00 73.41 H new ATOM 0 HG22 VAL A 66 -0.291 5.833 10.033 1.00 73.41 H new ATOM 0 HG23 VAL A 66 -0.420 4.370 11.039 1.00 73.41 H new ATOM 1059 N ALA A 67 1.809 1.917 7.545 1.00 31.52 N ATOM 1060 CA ALA A 67 2.635 1.291 6.508 1.00 35.41 C ATOM 1061 C ALA A 67 1.806 1.014 5.242 1.00 63.14 C ATOM 1062 O ALA A 67 2.290 1.180 4.123 1.00 75.23 O ATOM 1063 CB ALA A 67 3.269 0.008 7.035 1.00 74.24 C ATOM 0 H ALA A 67 1.676 1.346 8.380 1.00 31.52 H new ATOM 0 HA ALA A 67 3.434 1.983 6.240 1.00 35.41 H new ATOM 0 HB1 ALA A 67 3.879 -0.444 6.253 1.00 74.24 H new ATOM 0 HB2 ALA A 67 3.896 0.239 7.896 1.00 74.24 H new ATOM 0 HB3 ALA A 67 2.486 -0.689 7.333 1.00 74.24 H new ATOM 1069 N LYS A 68 0.549 0.599 5.434 1.00 2.13 N ATOM 1070 CA LYS A 68 -0.402 0.441 4.325 1.00 34.42 C ATOM 1071 C LYS A 68 -0.589 1.769 3.579 1.00 33.22 C ATOM 1072 O LYS A 68 -0.671 1.798 2.351 1.00 60.21 O ATOM 1073 CB LYS A 68 -1.766 -0.046 4.842 1.00 43.14 C ATOM 1074 CG LYS A 68 -1.756 -1.462 5.414 1.00 62.14 C ATOM 1075 CD LYS A 68 -3.094 -1.823 6.061 1.00 54.30 C ATOM 1076 CE LYS A 68 -4.254 -1.726 5.076 1.00 43.22 C ATOM 1077 NZ LYS A 68 -5.564 -1.983 5.732 1.00 32.24 N ATOM 0 H LYS A 68 0.165 0.366 6.349 1.00 2.13 H new ATOM 0 HA LYS A 68 0.007 -0.302 3.640 1.00 34.42 H new ATOM 0 HB2 LYS A 68 -2.115 0.641 5.613 1.00 43.14 H new ATOM 0 HB3 LYS A 68 -2.487 -0.002 4.026 1.00 43.14 H new ATOM 0 HG2 LYS A 68 -1.533 -2.174 4.619 1.00 62.14 H new ATOM 0 HG3 LYS A 68 -0.960 -1.550 6.153 1.00 62.14 H new ATOM 0 HD2 LYS A 68 -3.041 -2.836 6.459 1.00 54.30 H new ATOM 0 HD3 LYS A 68 -3.279 -1.158 6.905 1.00 54.30 H new ATOM 0 HE2 LYS A 68 -4.263 -0.735 4.623 1.00 43.22 H new ATOM 0 HE3 LYS A 68 -4.106 -2.444 4.269 1.00 43.22 H new ATOM 0 HZ1 LYS A 68 -6.326 -1.907 5.028 1.00 32.24 H new ATOM 0 HZ2 LYS A 68 -5.565 -2.939 6.142 1.00 32.24 H new ATOM 0 HZ3 LYS A 68 -5.718 -1.283 6.485 1.00 32.24 H new ATOM 1091 N ALA A 69 -0.660 2.864 4.337 1.00 23.30 N ATOM 1092 CA ALA A 69 -0.801 4.204 3.759 1.00 71.42 C ATOM 1093 C ALA A 69 0.362 4.534 2.809 1.00 23.20 C ATOM 1094 O ALA A 69 0.144 4.954 1.670 1.00 41.32 O ATOM 1095 CB ALA A 69 -0.901 5.253 4.864 1.00 44.24 C ATOM 0 H ALA A 69 -0.622 2.850 5.356 1.00 23.30 H new ATOM 0 HA ALA A 69 -1.721 4.218 3.175 1.00 71.42 H new ATOM 0 HB1 ALA A 69 -1.005 6.242 4.418 1.00 44.24 H new ATOM 0 HB2 ALA A 69 -1.770 5.043 5.488 1.00 44.24 H new ATOM 0 HB3 ALA A 69 0.001 5.224 5.476 1.00 44.24 H new ATOM 1101 N TYR A 70 1.596 4.339 3.279 1.00 54.40 N ATOM 1102 CA TYR A 70 2.785 4.594 2.453 1.00 3.01 C ATOM 1103 C TYR A 70 2.881 3.617 1.271 1.00 74.44 C ATOM 1104 O TYR A 70 3.277 4.003 0.169 1.00 31.12 O ATOM 1105 CB TYR A 70 4.065 4.537 3.301 1.00 24.12 C ATOM 1106 CG TYR A 70 4.167 5.666 4.312 1.00 10.31 C ATOM 1107 CD1 TYR A 70 4.243 6.990 3.891 1.00 63.40 C ATOM 1108 CD2 TYR A 70 4.181 5.412 5.678 1.00 11.15 C ATOM 1109 CE1 TYR A 70 4.329 8.025 4.801 1.00 52.34 C ATOM 1110 CE2 TYR A 70 4.266 6.444 6.594 1.00 14.31 C ATOM 1111 CZ TYR A 70 4.342 7.747 6.151 1.00 53.14 C ATOM 1112 OH TYR A 70 4.421 8.779 7.064 1.00 33.33 O ATOM 0 H TYR A 70 1.801 4.007 4.222 1.00 54.40 H new ATOM 0 HA TYR A 70 2.682 5.599 2.044 1.00 3.01 H new ATOM 0 HB2 TYR A 70 4.102 3.583 3.827 1.00 24.12 H new ATOM 0 HB3 TYR A 70 4.932 4.570 2.641 1.00 24.12 H new ATOM 0 HD1 TYR A 70 4.235 7.212 2.834 1.00 63.40 H new ATOM 0 HD2 TYR A 70 4.125 4.392 6.030 1.00 11.15 H new ATOM 0 HE1 TYR A 70 4.386 9.047 4.457 1.00 52.34 H new ATOM 0 HE2 TYR A 70 4.273 6.230 7.653 1.00 14.31 H new ATOM 0 HH TYR A 70 4.418 8.413 7.973 1.00 33.33 H new ATOM 1122 N ALA A 71 2.520 2.356 1.505 1.00 61.20 N ATOM 1123 CA ALA A 71 2.473 1.352 0.436 1.00 71.44 C ATOM 1124 C ALA A 71 1.495 1.778 -0.669 1.00 54.35 C ATOM 1125 O ALA A 71 1.797 1.683 -1.861 1.00 52.01 O ATOM 1126 CB ALA A 71 2.081 -0.009 1.006 1.00 54.52 C ATOM 0 H ALA A 71 2.255 2.003 2.424 1.00 61.20 H new ATOM 0 HA ALA A 71 3.466 1.271 -0.005 1.00 71.44 H new ATOM 0 HB1 ALA A 71 2.050 -0.745 0.202 1.00 54.52 H new ATOM 0 HB2 ALA A 71 2.815 -0.316 1.751 1.00 54.52 H new ATOM 0 HB3 ALA A 71 1.098 0.061 1.472 1.00 54.52 H new ATOM 1132 N ALA A 72 0.325 2.264 -0.256 1.00 60.32 N ATOM 1133 CA ALA A 72 -0.683 2.767 -1.192 1.00 1.31 C ATOM 1134 C ALA A 72 -0.164 3.990 -1.962 1.00 51.42 C ATOM 1135 O ALA A 72 -0.259 4.050 -3.190 1.00 23.21 O ATOM 1136 CB ALA A 72 -1.969 3.105 -0.444 1.00 52.21 C ATOM 0 H ALA A 72 0.050 2.321 0.725 1.00 60.32 H new ATOM 0 HA ALA A 72 -0.896 1.984 -1.920 1.00 1.31 H new ATOM 0 HB1 ALA A 72 -2.712 3.478 -1.148 1.00 52.21 H new ATOM 0 HB2 ALA A 72 -2.351 2.209 0.046 1.00 52.21 H new ATOM 0 HB3 ALA A 72 -1.764 3.869 0.306 1.00 52.21 H new ATOM 1142 N LEU A 73 0.392 4.960 -1.232 1.00 53.14 N ATOM 1143 CA LEU A 73 0.988 6.156 -1.845 1.00 33.23 C ATOM 1144 C LEU A 73 2.101 5.792 -2.836 1.00 12.33 C ATOM 1145 O LEU A 73 2.274 6.458 -3.857 1.00 43.44 O ATOM 1146 CB LEU A 73 1.528 7.102 -0.760 1.00 15.44 C ATOM 1147 CG LEU A 73 0.449 7.889 -0.001 1.00 62.10 C ATOM 1148 CD1 LEU A 73 1.052 8.698 1.143 1.00 22.51 C ATOM 1149 CD2 LEU A 73 -0.315 8.800 -0.958 1.00 32.05 C ATOM 0 H LEU A 73 0.443 4.943 -0.213 1.00 53.14 H new ATOM 0 HA LEU A 73 0.202 6.666 -2.403 1.00 33.23 H new ATOM 0 HB2 LEU A 73 2.105 6.519 -0.043 1.00 15.44 H new ATOM 0 HB3 LEU A 73 2.216 7.809 -1.223 1.00 15.44 H new ATOM 0 HG LEU A 73 -0.248 7.171 0.432 1.00 62.10 H new ATOM 0 HD11 LEU A 73 0.262 9.243 1.659 1.00 22.51 H new ATOM 0 HD12 LEU A 73 1.546 8.025 1.844 1.00 22.51 H new ATOM 0 HD13 LEU A 73 1.780 9.405 0.745 1.00 22.51 H new ATOM 0 HD21 LEU A 73 -1.076 9.351 -0.406 1.00 32.05 H new ATOM 0 HD22 LEU A 73 0.377 9.503 -1.422 1.00 32.05 H new ATOM 0 HD23 LEU A 73 -0.792 8.197 -1.731 1.00 32.05 H new ATOM 1161 N ALA A 74 2.849 4.732 -2.534 1.00 0.53 N ATOM 1162 CA ALA A 74 3.888 4.238 -3.443 1.00 64.53 C ATOM 1163 C ALA A 74 3.296 3.877 -4.814 1.00 31.13 C ATOM 1164 O ALA A 74 3.899 4.141 -5.858 1.00 20.31 O ATOM 1165 CB ALA A 74 4.606 3.038 -2.835 1.00 72.24 C ATOM 0 H ALA A 74 2.757 4.198 -1.670 1.00 0.53 H new ATOM 0 HA ALA A 74 4.615 5.037 -3.590 1.00 64.53 H new ATOM 0 HB1 ALA A 74 5.373 2.686 -3.524 1.00 72.24 H new ATOM 0 HB2 ALA A 74 5.071 3.331 -1.893 1.00 72.24 H new ATOM 0 HB3 ALA A 74 3.888 2.239 -2.652 1.00 72.24 H new ATOM 1171 N ALA A 75 2.105 3.281 -4.798 1.00 34.13 N ATOM 1172 CA ALA A 75 1.383 2.940 -6.029 1.00 2.43 C ATOM 1173 C ALA A 75 0.731 4.180 -6.665 1.00 23.42 C ATOM 1174 O ALA A 75 0.804 4.381 -7.876 1.00 20.14 O ATOM 1175 CB ALA A 75 0.326 1.881 -5.737 1.00 2.40 C ATOM 0 H ALA A 75 1.615 3.022 -3.942 1.00 34.13 H new ATOM 0 HA ALA A 75 2.105 2.543 -6.742 1.00 2.43 H new ATOM 0 HB1 ALA A 75 -0.205 1.634 -6.656 1.00 2.40 H new ATOM 0 HB2 ALA A 75 0.807 0.985 -5.344 1.00 2.40 H new ATOM 0 HB3 ALA A 75 -0.381 2.266 -5.002 1.00 2.40 H new ATOM 1181 N LEU A 76 0.099 5.008 -5.834 1.00 0.04 N ATOM 1182 CA LEU A 76 -0.605 6.211 -6.298 1.00 41.23 C ATOM 1183 C LEU A 76 0.330 7.174 -7.056 1.00 53.04 C ATOM 1184 O LEU A 76 0.022 7.601 -8.168 1.00 13.44 O ATOM 1185 CB LEU A 76 -1.255 6.921 -5.099 1.00 22.32 C ATOM 1186 CG LEU A 76 -2.440 6.174 -4.458 1.00 71.30 C ATOM 1187 CD1 LEU A 76 -2.824 6.805 -3.122 1.00 1.52 C ATOM 1188 CD2 LEU A 76 -3.638 6.153 -5.407 1.00 31.11 C ATOM 0 H LEU A 76 0.058 4.868 -4.824 1.00 0.04 H new ATOM 0 HA LEU A 76 -1.377 5.899 -7.001 1.00 41.23 H new ATOM 0 HB2 LEU A 76 -0.493 7.083 -4.337 1.00 22.32 H new ATOM 0 HB3 LEU A 76 -1.598 7.904 -5.421 1.00 22.32 H new ATOM 0 HG LEU A 76 -2.131 5.146 -4.270 1.00 71.30 H new ATOM 0 HD11 LEU A 76 -3.663 6.260 -2.690 1.00 1.52 H new ATOM 0 HD12 LEU A 76 -1.974 6.762 -2.441 1.00 1.52 H new ATOM 0 HD13 LEU A 76 -3.110 7.845 -3.280 1.00 1.52 H new ATOM 0 HD21 LEU A 76 -4.465 5.621 -4.937 1.00 31.11 H new ATOM 0 HD22 LEU A 76 -3.944 7.175 -5.630 1.00 31.11 H new ATOM 0 HD23 LEU A 76 -3.361 5.648 -6.332 1.00 31.11 H new ATOM 1200 N GLU A 77 1.480 7.493 -6.460 1.00 44.40 N ATOM 1201 CA GLU A 77 2.466 8.391 -7.091 1.00 12.42 C ATOM 1202 C GLU A 77 3.016 7.820 -8.415 1.00 51.25 C ATOM 1203 O GLU A 77 3.572 8.553 -9.238 1.00 41.24 O ATOM 1204 CB GLU A 77 3.630 8.663 -6.124 1.00 14.34 C ATOM 1205 CG GLU A 77 3.261 9.532 -4.924 1.00 52.24 C ATOM 1206 CD GLU A 77 2.947 10.971 -5.313 1.00 12.31 C ATOM 1207 OE1 GLU A 77 3.897 11.740 -5.573 1.00 33.12 O ATOM 1208 OE2 GLU A 77 1.755 11.339 -5.357 1.00 63.11 O ATOM 0 H GLU A 77 1.757 7.146 -5.542 1.00 44.40 H new ATOM 0 HA GLU A 77 1.949 9.322 -7.322 1.00 12.42 H new ATOM 0 HB2 GLU A 77 4.017 7.710 -5.762 1.00 14.34 H new ATOM 0 HB3 GLU A 77 4.438 9.147 -6.673 1.00 14.34 H new ATOM 0 HG2 GLU A 77 2.397 9.100 -4.420 1.00 52.24 H new ATOM 0 HG3 GLU A 77 4.084 9.525 -4.209 1.00 52.24 H new ATOM 1215 N LYS A 78 2.866 6.512 -8.610 1.00 13.10 N ATOM 1216 CA LYS A 78 3.368 5.838 -9.817 1.00 53.44 C ATOM 1217 C LYS A 78 2.264 5.695 -10.886 1.00 44.21 C ATOM 1218 O LYS A 78 2.489 5.956 -12.070 1.00 40.24 O ATOM 1219 CB LYS A 78 3.950 4.461 -9.420 1.00 10.44 C ATOM 1220 CG LYS A 78 4.667 3.697 -10.542 1.00 44.11 C ATOM 1221 CD LYS A 78 3.706 2.882 -11.406 1.00 20.12 C ATOM 1222 CE LYS A 78 4.440 2.041 -12.448 1.00 41.31 C ATOM 1223 NZ LYS A 78 5.215 2.879 -13.400 1.00 33.44 N ATOM 0 H LYS A 78 2.400 5.891 -7.948 1.00 13.10 H new ATOM 0 HA LYS A 78 4.156 6.445 -10.262 1.00 53.44 H new ATOM 0 HB2 LYS A 78 4.651 4.606 -8.598 1.00 10.44 H new ATOM 0 HB3 LYS A 78 3.139 3.839 -9.042 1.00 10.44 H new ATOM 0 HG2 LYS A 78 5.205 4.405 -11.172 1.00 44.11 H new ATOM 0 HG3 LYS A 78 5.411 3.031 -10.105 1.00 44.11 H new ATOM 0 HD2 LYS A 78 3.111 2.229 -10.768 1.00 20.12 H new ATOM 0 HD3 LYS A 78 3.012 3.555 -11.908 1.00 20.12 H new ATOM 0 HE2 LYS A 78 5.114 1.348 -11.944 1.00 41.31 H new ATOM 0 HE3 LYS A 78 3.719 1.439 -13.000 1.00 41.31 H new ATOM 0 HZ1 LYS A 78 5.613 2.276 -14.148 1.00 33.44 H new ATOM 0 HZ2 LYS A 78 4.588 3.591 -13.826 1.00 33.44 H new ATOM 0 HZ3 LYS A 78 5.987 3.357 -12.893 1.00 33.44 H new ATOM 1237 N LEU A 79 1.070 5.292 -10.459 1.00 34.13 N ATOM 1238 CA LEU A 79 -0.040 5.010 -11.383 1.00 45.33 C ATOM 1239 C LEU A 79 -0.954 6.231 -11.607 1.00 51.41 C ATOM 1240 O LEU A 79 -1.406 6.476 -12.728 1.00 73.51 O ATOM 1241 CB LEU A 79 -0.870 3.827 -10.858 1.00 74.42 C ATOM 1242 CG LEU A 79 -0.127 2.480 -10.784 1.00 55.42 C ATOM 1243 CD1 LEU A 79 -1.010 1.405 -10.156 1.00 64.20 C ATOM 1244 CD2 LEU A 79 0.345 2.046 -12.172 1.00 73.25 C ATOM 0 H LEU A 79 0.840 5.151 -9.475 1.00 34.13 H new ATOM 0 HA LEU A 79 0.403 4.759 -12.347 1.00 45.33 H new ATOM 0 HB2 LEU A 79 -1.236 4.076 -9.862 1.00 74.42 H new ATOM 0 HB3 LEU A 79 -1.744 3.706 -11.498 1.00 74.42 H new ATOM 0 HG LEU A 79 0.749 2.612 -10.150 1.00 55.42 H new ATOM 0 HD11 LEU A 79 -0.463 0.463 -10.115 1.00 64.20 H new ATOM 0 HD12 LEU A 79 -1.289 1.707 -9.146 1.00 64.20 H new ATOM 0 HD13 LEU A 79 -1.910 1.276 -10.758 1.00 64.20 H new ATOM 0 HD21 LEU A 79 0.867 1.092 -12.097 1.00 73.25 H new ATOM 0 HD22 LEU A 79 -0.516 1.937 -12.832 1.00 73.25 H new ATOM 0 HD23 LEU A 79 1.021 2.799 -12.578 1.00 73.25 H new ATOM 1256 N PHE A 80 -1.216 7.007 -10.552 1.00 71.23 N ATOM 1257 CA PHE A 80 -2.167 8.135 -10.635 1.00 4.13 C ATOM 1258 C PHE A 80 -1.562 9.473 -10.136 1.00 13.11 C ATOM 1259 O PHE A 80 -2.176 10.161 -9.317 1.00 24.43 O ATOM 1260 CB PHE A 80 -3.423 7.813 -9.805 1.00 34.42 C ATOM 1261 CG PHE A 80 -4.051 6.475 -10.115 1.00 3.45 C ATOM 1262 CD1 PHE A 80 -4.822 6.298 -11.255 1.00 34.04 C ATOM 1263 CD2 PHE A 80 -3.880 5.397 -9.255 1.00 12.35 C ATOM 1264 CE1 PHE A 80 -5.405 5.077 -11.533 1.00 4.54 C ATOM 1265 CE2 PHE A 80 -4.460 4.173 -9.531 1.00 15.02 C ATOM 1266 CZ PHE A 80 -5.224 4.015 -10.669 1.00 3.41 C ATOM 0 H PHE A 80 -0.790 6.882 -9.634 1.00 71.23 H new ATOM 0 HA PHE A 80 -2.417 8.261 -11.688 1.00 4.13 H new ATOM 0 HB2 PHE A 80 -3.161 7.841 -8.747 1.00 34.42 H new ATOM 0 HB3 PHE A 80 -4.164 8.595 -9.971 1.00 34.42 H new ATOM 0 HD1 PHE A 80 -4.968 7.125 -11.934 1.00 34.04 H new ATOM 0 HD2 PHE A 80 -3.287 5.517 -8.360 1.00 12.35 H new ATOM 0 HE1 PHE A 80 -6.002 4.953 -12.425 1.00 4.54 H new ATOM 0 HE2 PHE A 80 -4.315 3.342 -8.857 1.00 15.02 H new ATOM 0 HZ PHE A 80 -5.681 3.060 -10.884 1.00 3.41 H new