USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 101 ASN : amide:sc= -0.111 K(o=-1.4,f=-2) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.33 K(o=-1.4,f=-2.5!) USER MOD Set 2.1: A 72 CYS SG : rot 150:sc= 0.933 USER MOD Set 2.2: A 93 THR OG1 : rot 178:sc= 1.3 USER MOD Set 3.1: A 81 ASN : amide:sc= -1.76 K(o=-2.3,f=2.1) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= -0.529 USER MOD Single : A 32 SER OG : rot -18:sc= 0.14 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.2 K(o=-1.2,f=-2.7!) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.0195 USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 0.00678 (180deg=-0.207) USER MOD Single : A 61 THR OG1 : rot -14:sc= 0.913 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.966 USER MOD Single : A 75 LYS NZ :NH3+ 178:sc= 1.15 (180deg=1.1) USER MOD Single : A 78 CYS SG : rot 27:sc= 0.605 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 SER OG : rot 40:sc= 0.03 USER MOD Single : A 90 TYR OH : rot 166:sc= 0.164 USER MOD Single : A 94 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0704) USER MOD Single : A 98 TYR OH : rot -54:sc= 0.623 USER MOD Single : A 112 SER OG : rot -155:sc= 0.628 USER MOD Single : A 115 LYS NZ :NH3+ -171:sc= 1.25 (180deg=1.19) USER MOD Single : A 120 MET CE :methyl -141:sc= -1.12 (180deg=-3.67!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.352 19.714 -1.819 1.00 0.00 N ATOM 363 CA PRO A 29 2.617 18.456 -1.655 1.00 0.00 C ATOM 364 C PRO A 29 1.295 18.648 -0.920 1.00 0.00 C ATOM 365 O PRO A 29 1.184 19.495 -0.033 1.00 0.00 O ATOM 366 CB PRO A 29 3.571 17.593 -0.825 1.00 0.00 C ATOM 367 CG PRO A 29 4.415 18.570 -0.082 1.00 0.00 C ATOM 368 CD PRO A 29 4.567 19.760 -0.988 1.00 0.00 C ATOM 0 HA PRO A 29 2.346 18.014 -2.614 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.024 16.943 -0.142 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.178 16.949 -1.462 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.945 18.854 0.860 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.386 18.140 0.163 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.632 20.690 -0.423 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.471 19.691 -1.593 1.00 0.00 H new ATOM 376 N ASP A 30 0.296 17.856 -1.293 1.00 0.00 N ATOM 377 CA ASP A 30 -1.019 17.938 -0.667 1.00 0.00 C ATOM 378 C ASP A 30 -1.736 16.593 -0.732 1.00 0.00 C ATOM 379 O ASP A 30 -1.971 16.038 -1.805 1.00 0.00 O ATOM 380 CB ASP A 30 -1.866 19.015 -1.348 1.00 0.00 C ATOM 381 CG ASP A 30 -2.928 19.583 -0.429 1.00 0.00 C ATOM 382 OD1 ASP A 30 -2.672 19.672 0.790 1.00 0.00 O ATOM 383 OD2 ASP A 30 -4.017 19.938 -0.928 1.00 0.00 O ATOM 0 H ASP A 30 0.371 17.150 -2.025 1.00 0.00 H new ATOM 0 HA ASP A 30 -0.880 18.205 0.380 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.217 19.821 -1.690 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.343 18.593 -2.232 1.00 0.00 H new ATOM 388 N PRO A 31 -2.092 16.055 0.444 1.00 0.00 N ATOM 389 CA PRO A 31 -2.787 14.769 0.548 1.00 0.00 C ATOM 390 C PRO A 31 -4.221 14.842 0.036 1.00 0.00 C ATOM 391 O PRO A 31 -4.679 13.955 -0.684 1.00 0.00 O ATOM 392 CB PRO A 31 -2.769 14.476 2.050 1.00 0.00 C ATOM 393 CG PRO A 31 -2.665 15.815 2.696 1.00 0.00 C ATOM 394 CD PRO A 31 -1.844 16.661 1.763 1.00 0.00 C ATOM 0 HA PRO A 31 -2.309 13.998 -0.056 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.674 13.955 2.363 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.926 13.840 2.319 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.652 16.251 2.852 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -2.191 15.741 3.675 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -2.154 17.706 1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.786 16.636 2.024 1.00 0.00 H new ATOM 402 N SER A 32 -4.926 15.904 0.413 1.00 0.00 N ATOM 403 CA SER A 32 -6.310 16.091 -0.006 1.00 0.00 C ATOM 404 C SER A 32 -6.429 16.041 -1.526 1.00 0.00 C ATOM 405 O SER A 32 -7.526 15.911 -2.071 1.00 0.00 O ATOM 406 CB SER A 32 -6.847 17.425 0.515 1.00 0.00 C ATOM 407 OG SER A 32 -8.195 17.621 0.123 1.00 0.00 O ATOM 0 H SER A 32 -4.561 16.648 1.008 1.00 0.00 H new ATOM 0 HA SER A 32 -6.904 15.279 0.415 1.00 0.00 H new ATOM 0 HB2 SER A 32 -6.774 17.450 1.602 1.00 0.00 H new ATOM 0 HB3 SER A 32 -6.232 18.241 0.135 1.00 0.00 H new ATOM 0 HG SER A 32 -8.412 17.016 -0.617 1.00 0.00 H new ATOM 413 N LYS A 33 -5.293 16.144 -2.206 1.00 0.00 N ATOM 414 CA LYS A 33 -5.266 16.110 -3.664 1.00 0.00 C ATOM 415 C LYS A 33 -4.992 14.697 -4.170 1.00 0.00 C ATOM 416 O LYS A 33 -5.323 14.359 -5.306 1.00 0.00 O ATOM 417 CB LYS A 33 -4.201 17.070 -4.198 1.00 0.00 C ATOM 418 CG LYS A 33 -4.439 18.519 -3.811 1.00 0.00 C ATOM 419 CD LYS A 33 -5.562 19.137 -4.627 1.00 0.00 C ATOM 420 CE LYS A 33 -6.123 20.379 -3.953 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.558 20.593 -4.290 1.00 0.00 N ATOM 0 H LYS A 33 -4.377 16.252 -1.770 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.244 16.424 -4.028 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.225 16.759 -3.826 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.167 16.994 -5.285 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.684 18.578 -2.750 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.523 19.091 -3.959 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.192 19.396 -5.619 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -6.358 18.405 -4.765 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -6.014 20.287 -2.872 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -5.544 21.251 -4.259 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.903 21.449 -3.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -7.660 20.707 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -8.115 19.773 -3.976 1.00 0.00 H new ATOM 435 N VAL A 34 -4.388 13.875 -3.318 1.00 0.00 N ATOM 436 CA VAL A 34 -4.072 12.498 -3.678 1.00 0.00 C ATOM 437 C VAL A 34 -5.331 11.641 -3.731 1.00 0.00 C ATOM 438 O VAL A 34 -5.959 11.375 -2.706 1.00 0.00 O ATOM 439 CB VAL A 34 -3.079 11.871 -2.681 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.903 10.387 -2.964 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.742 12.594 -2.734 1.00 0.00 C ATOM 0 H VAL A 34 -4.108 14.139 -2.373 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.614 12.527 -4.667 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.485 11.979 -1.675 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.198 9.961 -2.250 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.864 9.882 -2.870 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.520 10.252 -3.976 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.053 12.138 -2.023 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.328 12.520 -3.740 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.886 13.644 -2.477 1.00 0.00 H new ATOM 451 N LYS A 35 -5.697 11.211 -4.934 1.00 0.00 N ATOM 452 CA LYS A 35 -6.881 10.382 -5.124 1.00 0.00 C ATOM 453 C LYS A 35 -6.494 8.966 -5.537 1.00 0.00 C ATOM 454 O LYS A 35 -5.543 8.768 -6.293 1.00 0.00 O ATOM 455 CB LYS A 35 -7.798 11.000 -6.182 1.00 0.00 C ATOM 456 CG LYS A 35 -8.784 12.008 -5.618 1.00 0.00 C ATOM 457 CD LYS A 35 -9.912 11.324 -4.864 1.00 0.00 C ATOM 458 CE LYS A 35 -10.602 12.280 -3.903 1.00 0.00 C ATOM 459 NZ LYS A 35 -11.510 13.222 -4.615 1.00 0.00 N ATOM 0 H LYS A 35 -5.190 11.423 -5.793 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.414 10.332 -4.174 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.186 11.488 -6.941 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.350 10.204 -6.682 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.262 12.694 -4.950 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.198 12.606 -6.430 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.640 10.932 -5.574 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.517 10.472 -4.310 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -11.173 11.709 -3.170 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.851 12.846 -3.352 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.961 13.857 -3.926 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -10.962 13.784 -5.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -12.242 12.683 -5.120 1.00 0.00 H new ATOM 473 N ALA A 36 -7.236 7.984 -5.036 1.00 0.00 N ATOM 474 CA ALA A 36 -6.972 6.587 -5.356 1.00 0.00 C ATOM 475 C ALA A 36 -8.224 5.900 -5.892 1.00 0.00 C ATOM 476 O ALA A 36 -9.156 5.611 -5.141 1.00 0.00 O ATOM 477 CB ALA A 36 -6.451 5.854 -4.129 1.00 0.00 C ATOM 0 H ALA A 36 -8.025 8.130 -4.407 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.210 6.557 -6.135 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.258 4.812 -4.383 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.527 6.322 -3.791 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.194 5.902 -3.333 1.00 0.00 H new ATOM 483 N HIS A 37 -8.238 5.642 -7.196 1.00 0.00 N ATOM 484 CA HIS A 37 -9.376 4.989 -7.833 1.00 0.00 C ATOM 485 C HIS A 37 -8.914 3.850 -8.737 1.00 0.00 C ATOM 486 O HIS A 37 -8.007 4.019 -9.550 1.00 0.00 O ATOM 487 CB HIS A 37 -10.185 6.002 -8.644 1.00 0.00 C ATOM 488 CG HIS A 37 -9.366 6.759 -9.644 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.269 6.392 -10.969 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.604 7.869 -9.506 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.482 7.243 -11.603 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.065 8.150 -10.737 1.00 0.00 N ATOM 0 H HIS A 37 -7.475 5.875 -7.832 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.009 4.573 -7.049 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -10.988 5.480 -9.165 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.655 6.710 -7.961 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.449 8.430 -8.596 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.223 7.204 -12.651 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.444 8.931 -10.949 1.00 0.00 H new ATOM 501 N GLY A 38 -9.543 2.688 -8.586 1.00 0.00 N ATOM 502 CA GLY A 38 -9.181 1.538 -9.395 1.00 0.00 C ATOM 503 C GLY A 38 -9.793 0.251 -8.878 1.00 0.00 C ATOM 504 O GLY A 38 -10.418 0.217 -7.818 1.00 0.00 O ATOM 0 H GLY A 38 -10.296 2.522 -7.918 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.505 1.704 -10.422 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.096 1.439 -9.415 1.00 0.00 H new ATOM 508 N PRO A 39 -9.615 -0.840 -9.638 1.00 0.00 N ATOM 509 CA PRO A 39 -10.147 -2.155 -9.271 1.00 0.00 C ATOM 510 C PRO A 39 -9.429 -2.757 -8.068 1.00 0.00 C ATOM 511 O PRO A 39 -10.033 -3.460 -7.260 1.00 0.00 O ATOM 512 CB PRO A 39 -9.895 -3.001 -10.522 1.00 0.00 C ATOM 513 CG PRO A 39 -8.742 -2.343 -11.198 1.00 0.00 C ATOM 514 CD PRO A 39 -8.879 -0.873 -10.914 1.00 0.00 C ATOM 0 HA PRO A 39 -11.196 -2.103 -8.978 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.664 -4.034 -10.262 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.773 -3.024 -11.168 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.796 -2.727 -10.818 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.756 -2.536 -12.271 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.907 -0.387 -10.830 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.424 -0.360 -11.706 1.00 0.00 H new ATOM 522 N GLY A 40 -8.134 -2.474 -7.955 1.00 0.00 N ATOM 523 CA GLY A 40 -7.356 -2.995 -6.847 1.00 0.00 C ATOM 524 C GLY A 40 -7.834 -2.473 -5.506 1.00 0.00 C ATOM 525 O GLY A 40 -7.365 -2.915 -4.456 1.00 0.00 O ATOM 0 H GLY A 40 -7.611 -1.894 -8.611 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.410 -4.084 -6.850 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.308 -2.727 -6.985 1.00 0.00 H new ATOM 529 N LEU A 41 -8.767 -1.528 -5.540 1.00 0.00 N ATOM 530 CA LEU A 41 -9.308 -0.943 -4.318 1.00 0.00 C ATOM 531 C LEU A 41 -10.670 -1.544 -3.983 1.00 0.00 C ATOM 532 O LEU A 41 -10.972 -1.812 -2.821 1.00 0.00 O ATOM 533 CB LEU A 41 -9.430 0.574 -4.466 1.00 0.00 C ATOM 534 CG LEU A 41 -8.236 1.284 -5.106 1.00 0.00 C ATOM 535 CD1 LEU A 41 -8.609 2.704 -5.503 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.047 1.289 -4.156 1.00 0.00 C ATOM 0 H LEU A 41 -9.165 -1.151 -6.400 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.621 -1.168 -3.502 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.318 0.791 -5.061 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.596 1.003 -3.478 1.00 0.00 H new ATOM 0 HG LEU A 41 -7.954 0.739 -6.007 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -7.747 3.193 -5.957 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.430 2.678 -6.220 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -8.918 3.260 -4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.207 1.798 -4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.317 1.810 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -6.764 0.263 -3.922 1.00 0.00 H new ATOM 548 N GLU A 42 -11.487 -1.754 -5.011 1.00 0.00 N ATOM 549 CA GLU A 42 -12.816 -2.324 -4.825 1.00 0.00 C ATOM 550 C GLU A 42 -12.728 -3.809 -4.483 1.00 0.00 C ATOM 551 O GLU A 42 -13.552 -4.335 -3.735 1.00 0.00 O ATOM 552 CB GLU A 42 -13.660 -2.130 -6.087 1.00 0.00 C ATOM 553 CG GLU A 42 -13.234 -3.015 -7.246 1.00 0.00 C ATOM 554 CD GLU A 42 -14.018 -2.733 -8.513 1.00 0.00 C ATOM 555 OE1 GLU A 42 -13.725 -1.718 -9.179 1.00 0.00 O ATOM 556 OE2 GLU A 42 -14.924 -3.529 -8.839 1.00 0.00 O ATOM 0 H GLU A 42 -11.252 -1.538 -5.980 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.293 -1.804 -3.994 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -14.704 -2.333 -5.850 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -13.601 -1.087 -6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -12.172 -2.867 -7.440 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.365 -4.061 -6.967 1.00 0.00 H new ATOM 563 N GLY A 43 -11.722 -4.480 -5.037 1.00 0.00 N ATOM 564 CA GLY A 43 -11.545 -5.897 -4.780 1.00 0.00 C ATOM 565 C GLY A 43 -10.885 -6.618 -5.938 1.00 0.00 C ATOM 566 O GLY A 43 -10.445 -5.990 -6.900 1.00 0.00 O ATOM 0 H GLY A 43 -11.027 -4.067 -5.659 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.940 -6.028 -3.883 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.516 -6.351 -4.579 1.00 0.00 H new ATOM 570 N GLY A 44 -10.814 -7.943 -5.845 1.00 0.00 N ATOM 571 CA GLY A 44 -10.200 -8.728 -6.900 1.00 0.00 C ATOM 572 C GLY A 44 -10.344 -10.220 -6.671 1.00 0.00 C ATOM 573 O GLY A 44 -11.387 -10.687 -6.211 1.00 0.00 O ATOM 0 H GLY A 44 -11.170 -8.486 -5.059 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.654 -8.465 -7.856 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.142 -8.474 -6.969 1.00 0.00 H new ATOM 577 N LEU A 45 -9.297 -10.970 -6.993 1.00 0.00 N ATOM 578 CA LEU A 45 -9.312 -12.419 -6.822 1.00 0.00 C ATOM 579 C LEU A 45 -7.992 -12.911 -6.238 1.00 0.00 C ATOM 580 O LEU A 45 -6.927 -12.373 -6.541 1.00 0.00 O ATOM 581 CB LEU A 45 -9.579 -13.108 -8.161 1.00 0.00 C ATOM 582 CG LEU A 45 -10.975 -12.910 -8.751 1.00 0.00 C ATOM 583 CD1 LEU A 45 -11.002 -13.331 -10.212 1.00 0.00 C ATOM 584 CD2 LEU A 45 -12.008 -13.689 -7.951 1.00 0.00 C ATOM 0 H LEU A 45 -8.426 -10.599 -7.374 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.112 -12.670 -6.126 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.847 -12.749 -8.884 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.407 -14.177 -8.037 1.00 0.00 H new ATOM 0 HG LEU A 45 -11.225 -11.850 -8.695 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -12.004 -13.183 -10.615 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.291 -12.729 -10.777 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.731 -14.384 -10.292 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.996 -13.536 -8.386 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.762 -14.751 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -12.008 -13.339 -6.919 1.00 0.00 H new ATOM 596 N VAL A 46 -8.069 -13.940 -5.400 1.00 0.00 N ATOM 597 CA VAL A 46 -6.880 -14.509 -4.775 1.00 0.00 C ATOM 598 C VAL A 46 -5.945 -15.109 -5.819 1.00 0.00 C ATOM 599 O VAL A 46 -6.391 -15.705 -6.798 1.00 0.00 O ATOM 600 CB VAL A 46 -7.250 -15.595 -3.748 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.005 -16.109 -3.042 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.259 -15.057 -2.745 1.00 0.00 C ATOM 0 H VAL A 46 -8.942 -14.397 -5.138 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.371 -13.693 -4.261 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.708 -16.430 -4.277 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.286 -16.876 -2.320 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.321 -16.535 -3.776 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.514 -15.285 -2.524 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.509 -15.838 -2.027 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.830 -14.204 -2.219 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.162 -14.743 -3.269 1.00 0.00 H new ATOM 612 N GLY A 47 -4.643 -14.948 -5.602 1.00 0.00 N ATOM 613 CA GLY A 47 -3.664 -15.480 -6.532 1.00 0.00 C ATOM 614 C GLY A 47 -3.565 -14.658 -7.802 1.00 0.00 C ATOM 615 O GLY A 47 -2.691 -14.894 -8.637 1.00 0.00 O ATOM 0 H GLY A 47 -4.249 -14.459 -4.799 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.688 -15.514 -6.048 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.929 -16.506 -6.787 1.00 0.00 H new ATOM 619 N LYS A 48 -4.463 -13.690 -7.950 1.00 0.00 N ATOM 620 CA LYS A 48 -4.474 -12.830 -9.128 1.00 0.00 C ATOM 621 C LYS A 48 -4.011 -11.420 -8.776 1.00 0.00 C ATOM 622 O LYS A 48 -4.220 -10.931 -7.665 1.00 0.00 O ATOM 623 CB LYS A 48 -5.878 -12.781 -9.735 1.00 0.00 C ATOM 624 CG LYS A 48 -6.140 -13.877 -10.753 1.00 0.00 C ATOM 625 CD LYS A 48 -7.170 -13.448 -11.783 1.00 0.00 C ATOM 626 CE LYS A 48 -7.034 -14.242 -13.073 1.00 0.00 C ATOM 627 NZ LYS A 48 -8.072 -13.862 -14.071 1.00 0.00 N ATOM 0 H LYS A 48 -5.193 -13.481 -7.269 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.783 -13.248 -9.860 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.614 -12.857 -8.934 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.025 -11.812 -10.211 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.209 -14.138 -11.256 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.488 -14.774 -10.241 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -8.172 -13.583 -11.375 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.053 -12.385 -11.995 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.044 -14.077 -13.498 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -7.113 -15.307 -12.854 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -7.945 -14.426 -14.936 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -9.017 -14.043 -13.675 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -7.980 -12.852 -14.300 1.00 0.00 H new ATOM 641 N PRO A 49 -3.368 -10.749 -9.743 1.00 0.00 N ATOM 642 CA PRO A 49 -2.865 -9.384 -9.558 1.00 0.00 C ATOM 643 C PRO A 49 -3.989 -8.360 -9.459 1.00 0.00 C ATOM 644 O PRO A 49 -5.054 -8.534 -10.051 1.00 0.00 O ATOM 645 CB PRO A 49 -2.029 -9.142 -10.818 1.00 0.00 C ATOM 646 CG PRO A 49 -2.612 -10.055 -11.841 1.00 0.00 C ATOM 647 CD PRO A 49 -3.084 -11.269 -11.090 1.00 0.00 C ATOM 0 HA PRO A 49 -2.303 -9.278 -8.630 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.087 -8.101 -11.137 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.976 -9.364 -10.643 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.438 -9.576 -12.367 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.870 -10.325 -12.592 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.972 -11.704 -11.548 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.322 -12.048 -11.067 1.00 0.00 H new ATOM 655 N ALA A 50 -3.745 -7.291 -8.708 1.00 0.00 N ATOM 656 CA ALA A 50 -4.737 -6.237 -8.534 1.00 0.00 C ATOM 657 C ALA A 50 -4.068 -4.880 -8.342 1.00 0.00 C ATOM 658 O ALA A 50 -3.348 -4.666 -7.368 1.00 0.00 O ATOM 659 CB ALA A 50 -5.642 -6.553 -7.352 1.00 0.00 C ATOM 0 H ALA A 50 -2.869 -7.132 -8.210 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.343 -6.190 -9.439 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.378 -5.757 -7.234 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.155 -7.498 -7.529 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.042 -6.630 -6.445 1.00 0.00 H new ATOM 665 N GLU A 51 -4.311 -3.968 -9.278 1.00 0.00 N ATOM 666 CA GLU A 51 -3.730 -2.632 -9.211 1.00 0.00 C ATOM 667 C GLU A 51 -4.801 -1.562 -9.406 1.00 0.00 C ATOM 668 O GLU A 51 -5.918 -1.857 -9.832 1.00 0.00 O ATOM 669 CB GLU A 51 -2.636 -2.474 -10.269 1.00 0.00 C ATOM 670 CG GLU A 51 -2.869 -3.311 -11.515 1.00 0.00 C ATOM 671 CD GLU A 51 -1.990 -2.888 -12.676 1.00 0.00 C ATOM 672 OE1 GLU A 51 -2.312 -1.871 -13.324 1.00 0.00 O ATOM 673 OE2 GLU A 51 -0.979 -3.574 -12.935 1.00 0.00 O ATOM 0 H GLU A 51 -4.906 -4.130 -10.091 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.290 -2.504 -8.222 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.567 -1.424 -10.554 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.676 -2.749 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.680 -4.359 -11.284 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.916 -3.233 -11.810 1.00 0.00 H new ATOM 680 N PHE A 52 -4.451 -0.319 -9.092 1.00 0.00 N ATOM 681 CA PHE A 52 -5.382 0.795 -9.231 1.00 0.00 C ATOM 682 C PHE A 52 -4.672 2.032 -9.772 1.00 0.00 C ATOM 683 O PHE A 52 -3.455 2.032 -9.961 1.00 0.00 O ATOM 684 CB PHE A 52 -6.032 1.115 -7.883 1.00 0.00 C ATOM 685 CG PHE A 52 -5.055 1.167 -6.743 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.608 0.001 -6.143 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.585 2.382 -6.272 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.709 0.046 -5.094 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.686 2.433 -5.224 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.248 1.263 -4.633 1.00 0.00 C ATOM 0 H PHE A 52 -3.530 -0.058 -8.740 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.157 0.503 -9.940 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.545 2.074 -7.955 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.791 0.363 -7.667 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.966 -0.954 -6.499 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -4.925 3.300 -6.729 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.367 -0.870 -4.635 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.326 3.387 -4.867 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.547 1.301 -3.812 1.00 0.00 H new ATOM 700 N THR A 53 -5.441 3.087 -10.021 1.00 0.00 N ATOM 701 CA THR A 53 -4.888 4.331 -10.542 1.00 0.00 C ATOM 702 C THR A 53 -4.802 5.393 -9.453 1.00 0.00 C ATOM 703 O THR A 53 -5.804 5.733 -8.823 1.00 0.00 O ATOM 704 CB THR A 53 -5.733 4.875 -11.710 1.00 0.00 C ATOM 705 OG1 THR A 53 -6.085 3.809 -12.598 1.00 0.00 O ATOM 706 CG2 THR A 53 -4.971 5.948 -12.474 1.00 0.00 C ATOM 0 H THR A 53 -6.450 3.105 -9.870 1.00 0.00 H new ATOM 0 HA THR A 53 -3.885 4.105 -10.904 1.00 0.00 H new ATOM 0 HB THR A 53 -6.640 5.318 -11.299 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.623 4.163 -13.337 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.587 6.318 -13.294 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.730 6.771 -11.802 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.050 5.525 -12.874 1.00 0.00 H new ATOM 714 N ILE A 54 -3.600 5.916 -9.237 1.00 0.00 N ATOM 715 CA ILE A 54 -3.384 6.942 -8.224 1.00 0.00 C ATOM 716 C ILE A 54 -3.090 8.294 -8.865 1.00 0.00 C ATOM 717 O ILE A 54 -2.327 8.384 -9.827 1.00 0.00 O ATOM 718 CB ILE A 54 -2.223 6.570 -7.283 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.478 5.205 -6.639 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.042 7.639 -6.216 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.301 4.683 -5.845 1.00 0.00 C ATOM 0 H ILE A 54 -2.761 5.646 -9.750 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.304 7.010 -7.643 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.305 6.510 -7.868 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.345 5.278 -5.983 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.728 4.485 -7.419 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.218 7.361 -5.559 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.821 8.594 -6.692 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -2.958 7.728 -5.631 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.552 3.712 -5.417 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.437 4.577 -6.502 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.064 5.382 -5.043 1.00 0.00 H new ATOM 733 N ASP A 55 -3.700 9.344 -8.325 1.00 0.00 N ATOM 734 CA ASP A 55 -3.502 10.693 -8.843 1.00 0.00 C ATOM 735 C ASP A 55 -2.625 11.512 -7.901 1.00 0.00 C ATOM 736 O ASP A 55 -3.090 12.002 -6.871 1.00 0.00 O ATOM 737 CB ASP A 55 -4.849 11.389 -9.041 1.00 0.00 C ATOM 738 CG ASP A 55 -5.814 10.558 -9.864 1.00 0.00 C ATOM 739 OD1 ASP A 55 -6.194 9.462 -9.403 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.188 11.004 -10.969 1.00 0.00 O ATOM 0 H ASP A 55 -4.335 9.287 -7.529 1.00 0.00 H new ATOM 0 HA ASP A 55 -2.997 10.616 -9.806 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.293 11.599 -8.068 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -4.690 12.349 -9.532 1.00 0.00 H new ATOM 745 N THR A 56 -1.354 11.658 -8.260 1.00 0.00 N ATOM 746 CA THR A 56 -0.412 12.416 -7.447 1.00 0.00 C ATOM 747 C THR A 56 -0.177 13.806 -8.028 1.00 0.00 C ATOM 748 O THR A 56 0.207 14.732 -7.314 1.00 0.00 O ATOM 749 CB THR A 56 0.940 11.688 -7.327 1.00 0.00 C ATOM 750 OG1 THR A 56 1.423 11.334 -8.628 1.00 0.00 O ATOM 751 CG2 THR A 56 0.807 10.437 -6.472 1.00 0.00 C ATOM 0 H THR A 56 -0.953 11.261 -9.110 1.00 0.00 H new ATOM 0 HA THR A 56 -0.856 12.510 -6.456 1.00 0.00 H new ATOM 0 HB THR A 56 1.650 12.362 -6.848 1.00 0.00 H new ATOM 0 HG1 THR A 56 2.284 10.873 -8.543 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.774 9.940 -6.402 1.00 0.00 H new ATOM 0 HG22 THR A 56 0.467 10.713 -5.474 1.00 0.00 H new ATOM 0 HG23 THR A 56 0.084 9.760 -6.927 1.00 0.00 H new ATOM 759 N LYS A 57 -0.412 13.945 -9.328 1.00 0.00 N ATOM 760 CA LYS A 57 -0.229 15.223 -10.007 1.00 0.00 C ATOM 761 C LYS A 57 -0.942 16.344 -9.257 1.00 0.00 C ATOM 762 O LYS A 57 -0.332 17.353 -8.904 1.00 0.00 O ATOM 763 CB LYS A 57 -0.753 15.141 -11.442 1.00 0.00 C ATOM 764 CG LYS A 57 -0.634 13.757 -12.056 1.00 0.00 C ATOM 765 CD LYS A 57 -1.885 12.929 -11.812 1.00 0.00 C ATOM 766 CE LYS A 57 -2.916 13.143 -12.909 1.00 0.00 C ATOM 767 NZ LYS A 57 -3.978 12.099 -12.883 1.00 0.00 N ATOM 0 H LYS A 57 -0.730 13.188 -9.933 1.00 0.00 H new ATOM 0 HA LYS A 57 0.838 15.445 -10.029 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -1.799 15.446 -11.456 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.205 15.852 -12.061 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -0.460 13.847 -13.128 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.231 13.244 -11.635 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.620 11.873 -11.761 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.317 13.196 -10.848 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.371 14.127 -12.793 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.421 13.133 -13.880 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.834 12.463 -13.347 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -3.645 11.252 -13.387 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -4.197 11.851 -11.897 1.00 0.00 H new ATOM 781 N GLY A 58 -2.236 16.160 -9.017 1.00 0.00 N ATOM 782 CA GLY A 58 -3.010 17.164 -8.309 1.00 0.00 C ATOM 783 C GLY A 58 -2.393 17.537 -6.976 1.00 0.00 C ATOM 784 O GLY A 58 -2.774 18.536 -6.366 1.00 0.00 O ATOM 0 H GLY A 58 -2.763 15.334 -9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -3.095 18.056 -8.929 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -4.021 16.791 -8.146 1.00 0.00 H new ATOM 788 N ALA A 59 -1.439 16.732 -6.521 1.00 0.00 N ATOM 789 CA ALA A 59 -0.768 16.983 -5.251 1.00 0.00 C ATOM 790 C ALA A 59 0.442 17.892 -5.440 1.00 0.00 C ATOM 791 O ALA A 59 0.584 18.904 -4.755 1.00 0.00 O ATOM 792 CB ALA A 59 -0.350 15.670 -4.606 1.00 0.00 C ATOM 0 H ALA A 59 -1.113 15.900 -7.013 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.471 17.491 -4.591 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.150 15.873 -3.659 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.232 15.056 -4.427 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.333 15.140 -5.270 1.00 0.00 H new ATOM 798 N GLY A 60 1.314 17.523 -6.374 1.00 0.00 N ATOM 799 CA GLY A 60 2.501 18.315 -6.635 1.00 0.00 C ATOM 800 C GLY A 60 3.764 17.476 -6.661 1.00 0.00 C ATOM 801 O GLY A 60 4.155 16.960 -7.708 1.00 0.00 O ATOM 0 H GLY A 60 1.219 16.690 -6.954 1.00 0.00 H new ATOM 0 HA2 GLY A 60 2.389 18.827 -7.591 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.596 19.085 -5.869 1.00 0.00 H new ATOM 805 N THR A 61 4.405 17.340 -5.504 1.00 0.00 N ATOM 806 CA THR A 61 5.632 16.561 -5.398 1.00 0.00 C ATOM 807 C THR A 61 5.910 16.167 -3.952 1.00 0.00 C ATOM 808 O THR A 61 6.038 17.024 -3.078 1.00 0.00 O ATOM 809 CB THR A 61 6.842 17.341 -5.947 1.00 0.00 C ATOM 810 OG1 THR A 61 6.644 17.639 -7.333 1.00 0.00 O ATOM 811 CG2 THR A 61 8.125 16.542 -5.773 1.00 0.00 C ATOM 0 H THR A 61 4.094 17.759 -4.628 1.00 0.00 H new ATOM 0 HA THR A 61 5.487 15.661 -5.996 1.00 0.00 H new ATOM 0 HB THR A 61 6.933 18.271 -5.385 1.00 0.00 H new ATOM 0 HG1 THR A 61 5.909 17.094 -7.683 1.00 0.00 H new ATOM 0 HG21 THR A 61 8.965 17.113 -6.168 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.288 16.342 -4.714 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.042 15.598 -6.312 1.00 0.00 H new ATOM 819 N GLY A 62 6.003 14.863 -3.706 1.00 0.00 N ATOM 820 CA GLY A 62 6.266 14.379 -2.363 1.00 0.00 C ATOM 821 C GLY A 62 6.333 12.866 -2.296 1.00 0.00 C ATOM 822 O GLY A 62 6.295 12.189 -3.323 1.00 0.00 O ATOM 0 H GLY A 62 5.901 14.134 -4.412 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.207 14.798 -2.007 1.00 0.00 H new ATOM 0 HA3 GLY A 62 5.484 14.735 -1.692 1.00 0.00 H new ATOM 826 N GLY A 63 6.434 12.333 -1.082 1.00 0.00 N ATOM 827 CA GLY A 63 6.507 10.894 -0.907 1.00 0.00 C ATOM 828 C GLY A 63 5.192 10.300 -0.442 1.00 0.00 C ATOM 829 O GLY A 63 4.424 10.951 0.267 1.00 0.00 O ATOM 0 H GLY A 63 6.467 12.872 -0.217 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.799 10.431 -1.850 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.286 10.658 -0.182 1.00 0.00 H new ATOM 833 N LEU A 64 4.931 9.060 -0.843 1.00 0.00 N ATOM 834 CA LEU A 64 3.699 8.378 -0.464 1.00 0.00 C ATOM 835 C LEU A 64 3.994 6.985 0.083 1.00 0.00 C ATOM 836 O LEU A 64 4.756 6.222 -0.511 1.00 0.00 O ATOM 837 CB LEU A 64 2.758 8.277 -1.666 1.00 0.00 C ATOM 838 CG LEU A 64 1.383 7.666 -1.394 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.523 8.626 -0.586 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.694 7.299 -2.700 1.00 0.00 C ATOM 0 H LEU A 64 5.556 8.507 -1.430 1.00 0.00 H new ATOM 0 HA LEU A 64 3.216 8.962 0.320 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.614 9.277 -2.074 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.250 7.685 -2.438 1.00 0.00 H new ATOM 0 HG LEU A 64 1.520 6.755 -0.811 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.452 8.174 -0.402 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.010 8.838 0.366 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.394 9.555 -1.142 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -0.283 6.866 -2.487 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.569 8.194 -3.309 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.302 6.574 -3.241 1.00 0.00 H new ATOM 852 N GLY A 65 3.383 6.658 1.218 1.00 0.00 N ATOM 853 CA GLY A 65 3.592 5.357 1.825 1.00 0.00 C ATOM 854 C GLY A 65 2.401 4.436 1.646 1.00 0.00 C ATOM 855 O GLY A 65 1.303 4.730 2.120 1.00 0.00 O ATOM 0 H GLY A 65 2.747 7.271 1.728 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.476 4.893 1.387 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.793 5.484 2.889 1.00 0.00 H new ATOM 859 N LEU A 66 2.616 3.320 0.958 1.00 0.00 N ATOM 860 CA LEU A 66 1.551 2.353 0.716 1.00 0.00 C ATOM 861 C LEU A 66 1.810 1.056 1.475 1.00 0.00 C ATOM 862 O LEU A 66 2.802 0.368 1.230 1.00 0.00 O ATOM 863 CB LEU A 66 1.427 2.066 -0.781 1.00 0.00 C ATOM 864 CG LEU A 66 0.087 1.495 -1.247 1.00 0.00 C ATOM 865 CD1 LEU A 66 -1.015 2.532 -1.096 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.182 1.021 -2.690 1.00 0.00 C ATOM 0 H LEU A 66 3.518 3.062 0.558 1.00 0.00 H new ATOM 0 HA LEU A 66 0.616 2.782 1.076 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.613 2.992 -1.325 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.215 1.367 -1.063 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.160 0.638 -0.620 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.961 2.109 -1.432 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -1.099 2.823 -0.049 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.775 3.408 -1.698 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.781 0.618 -3.005 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.451 1.860 -3.332 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.944 0.245 -2.769 1.00 0.00 H new ATOM 878 N THR A 67 0.911 0.725 2.397 1.00 0.00 N ATOM 879 CA THR A 67 1.041 -0.490 3.190 1.00 0.00 C ATOM 880 C THR A 67 -0.275 -1.258 3.241 1.00 0.00 C ATOM 881 O THR A 67 -1.336 -0.676 3.467 1.00 0.00 O ATOM 882 CB THR A 67 1.494 -0.175 4.629 1.00 0.00 C ATOM 883 OG1 THR A 67 0.825 0.996 5.108 1.00 0.00 O ATOM 884 CG2 THR A 67 3.000 0.035 4.688 1.00 0.00 C ATOM 0 H THR A 67 0.084 1.282 2.613 1.00 0.00 H new ATOM 0 HA THR A 67 1.798 -1.105 2.704 1.00 0.00 H new ATOM 0 HB THR A 67 1.236 -1.024 5.262 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.117 1.188 6.023 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.297 0.256 5.713 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.507 -0.869 4.350 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.277 0.869 4.043 1.00 0.00 H new ATOM 892 N VAL A 68 -0.199 -2.568 3.029 1.00 0.00 N ATOM 893 CA VAL A 68 -1.385 -3.416 3.052 1.00 0.00 C ATOM 894 C VAL A 68 -1.610 -4.007 4.439 1.00 0.00 C ATOM 895 O VAL A 68 -0.823 -4.827 4.910 1.00 0.00 O ATOM 896 CB VAL A 68 -1.275 -4.562 2.029 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.448 -5.520 2.173 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.199 -4.007 0.614 1.00 0.00 C ATOM 0 H VAL A 68 0.671 -3.065 2.839 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.232 -2.783 2.788 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.358 -5.117 2.227 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.354 -6.323 1.442 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.452 -5.942 3.178 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.380 -4.982 2.002 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.122 -4.830 -0.096 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.098 -3.428 0.402 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.323 -3.365 0.522 1.00 0.00 H new ATOM 908 N GLU A 69 -2.692 -3.585 5.087 1.00 0.00 N ATOM 909 CA GLU A 69 -3.020 -4.074 6.421 1.00 0.00 C ATOM 910 C GLU A 69 -4.151 -5.097 6.363 1.00 0.00 C ATOM 911 O GLU A 69 -5.270 -4.827 6.797 1.00 0.00 O ATOM 912 CB GLU A 69 -3.418 -2.910 7.331 1.00 0.00 C ATOM 913 CG GLU A 69 -2.233 -2.128 7.872 1.00 0.00 C ATOM 914 CD GLU A 69 -1.600 -2.789 9.081 1.00 0.00 C ATOM 915 OE1 GLU A 69 -1.164 -3.953 8.960 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.542 -2.144 10.149 1.00 0.00 O ATOM 0 H GLU A 69 -3.355 -2.907 4.710 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.134 -4.560 6.830 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.067 -2.232 6.777 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.000 -3.296 8.168 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.484 -2.022 7.087 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.558 -1.123 8.141 1.00 0.00 H new ATOM 923 N GLY A 70 -3.850 -6.273 5.822 1.00 0.00 N ATOM 924 CA GLY A 70 -4.850 -7.319 5.715 1.00 0.00 C ATOM 925 C GLY A 70 -4.554 -8.499 6.619 1.00 0.00 C ATOM 926 O GLY A 70 -3.648 -8.459 7.452 1.00 0.00 O ATOM 0 H GLY A 70 -2.931 -6.520 5.456 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.828 -6.909 5.966 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.904 -7.662 4.682 1.00 0.00 H new ATOM 930 N PRO A 71 -5.332 -9.580 6.461 1.00 0.00 N ATOM 931 CA PRO A 71 -5.169 -10.797 7.262 1.00 0.00 C ATOM 932 C PRO A 71 -3.887 -11.549 6.920 1.00 0.00 C ATOM 933 O PRO A 71 -3.480 -12.462 7.639 1.00 0.00 O ATOM 934 CB PRO A 71 -6.395 -11.634 6.890 1.00 0.00 C ATOM 935 CG PRO A 71 -6.778 -11.161 5.531 1.00 0.00 C ATOM 936 CD PRO A 71 -6.431 -9.698 5.488 1.00 0.00 C ATOM 0 HA PRO A 71 -5.094 -10.577 8.327 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -6.162 -12.699 6.887 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -7.206 -11.487 7.603 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -6.240 -11.712 4.760 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.842 -11.315 5.350 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -6.120 -9.388 4.490 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.281 -9.075 5.765 1.00 0.00 H new ATOM 944 N CYS A 72 -3.254 -11.158 5.819 1.00 0.00 N ATOM 945 CA CYS A 72 -2.017 -11.796 5.381 1.00 0.00 C ATOM 946 C CYS A 72 -1.098 -10.788 4.698 1.00 0.00 C ATOM 947 O CYS A 72 -1.561 -9.814 4.106 1.00 0.00 O ATOM 948 CB CYS A 72 -2.325 -12.952 4.428 1.00 0.00 C ATOM 949 SG CYS A 72 -1.083 -14.266 4.436 1.00 0.00 S ATOM 0 H CYS A 72 -3.577 -10.403 5.214 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.507 -12.187 6.261 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.292 -13.379 4.693 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.417 -12.559 3.415 1.00 0.00 H new ATOM 0 HG CYS A 72 -1.651 -15.402 4.160 1.00 0.00 H new ATOM 955 N GLU A 73 0.206 -11.030 4.787 1.00 0.00 N ATOM 956 CA GLU A 73 1.190 -10.142 4.179 1.00 0.00 C ATOM 957 C GLU A 73 1.233 -10.332 2.666 1.00 0.00 C ATOM 958 O GLU A 73 1.817 -11.294 2.167 1.00 0.00 O ATOM 959 CB GLU A 73 2.576 -10.395 4.776 1.00 0.00 C ATOM 960 CG GLU A 73 3.672 -9.548 4.151 1.00 0.00 C ATOM 961 CD GLU A 73 5.060 -9.979 4.583 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.586 -10.953 4.006 1.00 0.00 O ATOM 963 OE2 GLU A 73 5.619 -9.341 5.499 1.00 0.00 O ATOM 0 H GLU A 73 0.605 -11.833 5.274 1.00 0.00 H new ATOM 0 HA GLU A 73 0.894 -9.115 4.390 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.542 -10.198 5.847 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.828 -11.448 4.654 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.598 -9.609 3.065 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.519 -8.504 4.423 1.00 0.00 H new ATOM 970 N ALA A 74 0.611 -9.408 1.941 1.00 0.00 N ATOM 971 CA ALA A 74 0.580 -9.472 0.485 1.00 0.00 C ATOM 972 C ALA A 74 1.657 -8.583 -0.127 1.00 0.00 C ATOM 973 O ALA A 74 1.847 -7.441 0.292 1.00 0.00 O ATOM 974 CB ALA A 74 -0.794 -9.071 -0.031 1.00 0.00 C ATOM 0 H ALA A 74 0.122 -8.606 2.338 1.00 0.00 H new ATOM 0 HA ALA A 74 0.783 -10.501 0.187 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.803 -9.123 -1.120 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.546 -9.750 0.371 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -1.018 -8.052 0.285 1.00 0.00 H new ATOM 980 N LYS A 75 2.361 -9.114 -1.121 1.00 0.00 N ATOM 981 CA LYS A 75 3.420 -8.370 -1.792 1.00 0.00 C ATOM 982 C LYS A 75 2.862 -7.122 -2.469 1.00 0.00 C ATOM 983 O LYS A 75 1.703 -7.095 -2.883 1.00 0.00 O ATOM 984 CB LYS A 75 4.117 -9.255 -2.827 1.00 0.00 C ATOM 985 CG LYS A 75 5.578 -8.901 -3.045 1.00 0.00 C ATOM 986 CD LYS A 75 6.277 -9.930 -3.918 1.00 0.00 C ATOM 987 CE LYS A 75 6.168 -9.575 -5.393 1.00 0.00 C ATOM 988 NZ LYS A 75 7.300 -8.719 -5.843 1.00 0.00 N ATOM 0 H LYS A 75 2.217 -10.058 -1.480 1.00 0.00 H new ATOM 0 HA LYS A 75 4.146 -8.061 -1.040 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.047 -10.295 -2.509 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.587 -9.176 -3.776 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.650 -7.918 -3.511 1.00 0.00 H new ATOM 0 HG3 LYS A 75 6.085 -8.835 -2.082 1.00 0.00 H new ATOM 0 HD2 LYS A 75 7.328 -9.995 -3.635 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.839 -10.913 -3.746 1.00 0.00 H new ATOM 0 HE2 LYS A 75 6.146 -10.489 -5.986 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.227 -9.056 -5.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.207 -8.527 -6.861 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.286 -7.821 -5.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 8.199 -9.210 -5.664 1.00 0.00 H new ATOM 1002 N ILE A 76 3.694 -6.092 -2.579 1.00 0.00 N ATOM 1003 CA ILE A 76 3.284 -4.843 -3.208 1.00 0.00 C ATOM 1004 C ILE A 76 4.354 -4.333 -4.167 1.00 0.00 C ATOM 1005 O ILE A 76 5.438 -3.930 -3.746 1.00 0.00 O ATOM 1006 CB ILE A 76 2.991 -3.754 -2.159 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.069 -4.301 -1.067 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.369 -2.533 -2.822 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.128 -3.516 0.224 1.00 0.00 C ATOM 0 H ILE A 76 4.656 -6.098 -2.241 1.00 0.00 H new ATOM 0 HA ILE A 76 2.371 -5.055 -3.765 1.00 0.00 H new ATOM 0 HB ILE A 76 3.931 -3.453 -1.697 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.043 -4.301 -1.436 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.335 -5.338 -0.864 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.168 -1.772 -2.068 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.057 -2.133 -3.566 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.436 -2.818 -3.307 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.449 -3.961 0.952 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.145 -3.537 0.616 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.833 -2.484 0.036 1.00 0.00 H new ATOM 1021 N GLU A 77 4.041 -4.353 -5.459 1.00 0.00 N ATOM 1022 CA GLU A 77 4.976 -3.892 -6.479 1.00 0.00 C ATOM 1023 C GLU A 77 4.536 -2.548 -7.052 1.00 0.00 C ATOM 1024 O GLU A 77 3.605 -2.479 -7.856 1.00 0.00 O ATOM 1025 CB GLU A 77 5.092 -4.925 -7.601 1.00 0.00 C ATOM 1026 CG GLU A 77 6.164 -5.973 -7.357 1.00 0.00 C ATOM 1027 CD GLU A 77 6.523 -6.745 -8.612 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.534 -6.135 -9.701 1.00 0.00 O ATOM 1029 OE2 GLU A 77 6.793 -7.959 -8.503 1.00 0.00 O ATOM 0 H GLU A 77 3.148 -4.683 -5.824 1.00 0.00 H new ATOM 0 HA GLU A 77 5.952 -3.765 -6.011 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.131 -5.423 -7.725 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.307 -4.409 -8.537 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.058 -5.488 -6.965 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.818 -6.670 -6.593 1.00 0.00 H new ATOM 1036 N CYS A 78 5.212 -1.484 -6.634 1.00 0.00 N ATOM 1037 CA CYS A 78 4.890 -0.141 -7.105 1.00 0.00 C ATOM 1038 C CYS A 78 5.742 0.230 -8.314 1.00 0.00 C ATOM 1039 O CYS A 78 6.971 0.232 -8.243 1.00 0.00 O ATOM 1040 CB CYS A 78 5.102 0.879 -5.985 1.00 0.00 C ATOM 1041 SG CYS A 78 6.835 1.131 -5.533 1.00 0.00 S ATOM 0 H CYS A 78 5.986 -1.524 -5.971 1.00 0.00 H new ATOM 0 HA CYS A 78 3.842 -0.129 -7.404 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.675 1.834 -6.292 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.551 0.553 -5.103 1.00 0.00 H new ATOM 0 HG CYS A 78 7.592 0.875 -6.558 1.00 0.00 H new ATOM 1047 N SER A 79 5.081 0.541 -9.424 1.00 0.00 N ATOM 1048 CA SER A 79 5.778 0.908 -10.652 1.00 0.00 C ATOM 1049 C SER A 79 5.117 2.115 -11.311 1.00 0.00 C ATOM 1050 O SER A 79 4.002 2.023 -11.824 1.00 0.00 O ATOM 1051 CB SER A 79 5.797 -0.273 -11.625 1.00 0.00 C ATOM 1052 OG SER A 79 6.642 -0.008 -12.731 1.00 0.00 O ATOM 0 H SER A 79 4.064 0.546 -9.499 1.00 0.00 H new ATOM 0 HA SER A 79 6.803 1.173 -10.394 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.140 -1.169 -11.108 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.785 -0.475 -11.976 1.00 0.00 H new ATOM 0 HG SER A 79 6.639 -0.778 -13.337 1.00 0.00 H new ATOM 1058 N ASP A 80 5.815 3.245 -11.294 1.00 0.00 N ATOM 1059 CA ASP A 80 5.298 4.471 -11.891 1.00 0.00 C ATOM 1060 C ASP A 80 4.980 4.264 -13.369 1.00 0.00 C ATOM 1061 O ASP A 80 5.582 3.420 -14.031 1.00 0.00 O ATOM 1062 CB ASP A 80 6.308 5.608 -11.728 1.00 0.00 C ATOM 1063 CG ASP A 80 7.732 5.159 -11.986 1.00 0.00 C ATOM 1064 OD1 ASP A 80 8.337 4.551 -11.078 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.242 5.414 -13.097 1.00 0.00 O ATOM 0 H ASP A 80 6.740 3.338 -10.874 1.00 0.00 H new ATOM 0 HA ASP A 80 4.376 4.737 -11.374 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.055 6.416 -12.415 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.235 6.013 -10.719 1.00 0.00 H new ATOM 1070 N ASN A 81 4.030 5.041 -13.879 1.00 0.00 N ATOM 1071 CA ASN A 81 3.631 4.941 -15.279 1.00 0.00 C ATOM 1072 C ASN A 81 4.581 5.732 -16.173 1.00 0.00 C ATOM 1073 O ASN A 81 5.107 5.209 -17.154 1.00 0.00 O ATOM 1074 CB ASN A 81 2.200 5.450 -15.460 1.00 0.00 C ATOM 1075 CG ASN A 81 1.172 4.515 -14.852 1.00 0.00 C ATOM 1076 OD1 ASN A 81 0.971 3.399 -15.333 1.00 0.00 O ATOM 1077 ND2 ASN A 81 0.515 4.967 -13.790 1.00 0.00 N ATOM 0 H ASN A 81 3.522 5.746 -13.345 1.00 0.00 H new ATOM 0 HA ASN A 81 3.676 3.892 -15.570 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.107 6.435 -15.002 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.992 5.572 -16.523 1.00 0.00 H new ATOM 0 HD21 ASN A 81 -0.189 4.383 -13.339 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.714 5.899 -13.425 1.00 0.00 H new ATOM 1084 N GLY A 82 4.797 6.997 -15.825 1.00 0.00 N ATOM 1085 CA GLY A 82 5.684 7.840 -16.605 1.00 0.00 C ATOM 1086 C GLY A 82 4.999 9.096 -17.106 1.00 0.00 C ATOM 1087 O GLY A 82 5.595 9.887 -17.836 1.00 0.00 O ATOM 0 H GLY A 82 4.373 7.453 -15.017 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.545 8.117 -15.996 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.064 7.273 -17.455 1.00 0.00 H new ATOM 1091 N ASP A 83 3.742 9.278 -16.714 1.00 0.00 N ATOM 1092 CA ASP A 83 2.975 10.447 -17.128 1.00 0.00 C ATOM 1093 C ASP A 83 2.593 11.301 -15.924 1.00 0.00 C ATOM 1094 O ASP A 83 2.172 12.448 -16.071 1.00 0.00 O ATOM 1095 CB ASP A 83 1.716 10.015 -17.882 1.00 0.00 C ATOM 1096 CG ASP A 83 0.705 11.138 -18.011 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.057 11.473 -16.997 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.562 11.681 -19.126 1.00 0.00 O ATOM 0 H ASP A 83 3.234 8.631 -16.111 1.00 0.00 H new ATOM 0 HA ASP A 83 3.600 11.045 -17.791 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.994 9.664 -18.876 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.256 9.174 -17.364 1.00 0.00 H new ATOM 1103 N GLY A 84 2.743 10.734 -14.730 1.00 0.00 N ATOM 1104 CA GLY A 84 2.408 11.458 -13.518 1.00 0.00 C ATOM 1105 C GLY A 84 1.630 10.609 -12.532 1.00 0.00 C ATOM 1106 O GLY A 84 1.519 10.954 -11.355 1.00 0.00 O ATOM 0 H GLY A 84 3.090 9.787 -14.581 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.324 11.812 -13.045 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.821 12.340 -13.776 1.00 0.00 H new ATOM 1110 N THR A 85 1.089 9.494 -13.012 1.00 0.00 N ATOM 1111 CA THR A 85 0.314 8.594 -12.166 1.00 0.00 C ATOM 1112 C THR A 85 1.148 7.394 -11.732 1.00 0.00 C ATOM 1113 O THR A 85 2.234 7.156 -12.263 1.00 0.00 O ATOM 1114 CB THR A 85 -0.950 8.092 -12.889 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.584 7.352 -14.059 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.848 9.256 -13.279 1.00 0.00 C ATOM 0 H THR A 85 1.173 9.192 -13.983 1.00 0.00 H new ATOM 0 HA THR A 85 0.017 9.165 -11.286 1.00 0.00 H new ATOM 0 HB THR A 85 -1.499 7.443 -12.207 1.00 0.00 H new ATOM 0 HG1 THR A 85 -1.393 7.035 -14.512 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.734 8.877 -13.788 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.149 9.800 -12.383 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.306 9.927 -13.945 1.00 0.00 H new ATOM 1124 N CYS A 86 0.635 6.642 -10.765 1.00 0.00 N ATOM 1125 CA CYS A 86 1.333 5.465 -10.259 1.00 0.00 C ATOM 1126 C CYS A 86 0.485 4.210 -10.440 1.00 0.00 C ATOM 1127 O CYS A 86 -0.742 4.261 -10.358 1.00 0.00 O ATOM 1128 CB CYS A 86 1.683 5.650 -8.782 1.00 0.00 C ATOM 1129 SG CYS A 86 3.252 6.503 -8.496 1.00 0.00 S ATOM 0 H CYS A 86 -0.262 6.826 -10.315 1.00 0.00 H new ATOM 0 HA CYS A 86 2.253 5.345 -10.831 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.883 6.211 -8.298 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.721 4.671 -8.303 1.00 0.00 H new ATOM 0 HG CYS A 86 3.459 6.614 -7.217 1.00 0.00 H new ATOM 1135 N SER A 87 1.149 3.085 -10.689 1.00 0.00 N ATOM 1136 CA SER A 87 0.456 1.818 -10.887 1.00 0.00 C ATOM 1137 C SER A 87 0.993 0.751 -9.939 1.00 0.00 C ATOM 1138 O SER A 87 1.968 0.064 -10.246 1.00 0.00 O ATOM 1139 CB SER A 87 0.607 1.351 -12.337 1.00 0.00 C ATOM 1140 OG SER A 87 0.225 -0.006 -12.478 1.00 0.00 O ATOM 0 H SER A 87 2.165 3.026 -10.758 1.00 0.00 H new ATOM 0 HA SER A 87 -0.601 1.973 -10.670 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.006 1.974 -12.989 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.642 1.476 -12.657 1.00 0.00 H new ATOM 0 HG SER A 87 0.329 -0.280 -13.413 1.00 0.00 H new ATOM 1146 N VAL A 88 0.350 0.617 -8.783 1.00 0.00 N ATOM 1147 CA VAL A 88 0.761 -0.367 -7.789 1.00 0.00 C ATOM 1148 C VAL A 88 -0.071 -1.640 -7.899 1.00 0.00 C ATOM 1149 O VAL A 88 -1.300 -1.597 -7.848 1.00 0.00 O ATOM 1150 CB VAL A 88 0.636 0.193 -6.360 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.277 -0.753 -5.357 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.261 1.578 -6.274 1.00 0.00 C ATOM 0 H VAL A 88 -0.458 1.178 -8.512 1.00 0.00 H new ATOM 0 HA VAL A 88 1.807 -0.601 -7.989 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.422 0.281 -6.115 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.179 -0.340 -4.353 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.779 -1.722 -5.401 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.333 -0.876 -5.597 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.164 1.959 -5.257 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.316 1.518 -6.540 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.751 2.251 -6.964 1.00 0.00 H new ATOM 1162 N SER A 89 0.608 -2.773 -8.049 1.00 0.00 N ATOM 1163 CA SER A 89 -0.068 -4.059 -8.169 1.00 0.00 C ATOM 1164 C SER A 89 0.296 -4.975 -7.004 1.00 0.00 C ATOM 1165 O SER A 89 1.472 -5.202 -6.722 1.00 0.00 O ATOM 1166 CB SER A 89 0.299 -4.731 -9.494 1.00 0.00 C ATOM 1167 OG SER A 89 1.698 -4.688 -9.717 1.00 0.00 O ATOM 0 H SER A 89 1.626 -2.826 -8.090 1.00 0.00 H new ATOM 0 HA SER A 89 -1.143 -3.880 -8.146 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.040 -5.767 -9.486 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.219 -4.233 -10.314 1.00 0.00 H new ATOM 0 HG SER A 89 2.169 -4.862 -8.875 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.723 -5.498 -6.331 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.513 -6.387 -5.195 1.00 0.00 C ATOM 1175 C TYR A 90 -1.041 -7.787 -5.493 1.00 0.00 C ATOM 1176 O TYR A 90 -1.898 -7.968 -6.359 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.199 -5.826 -3.948 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.709 -5.860 -4.020 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.415 -7.009 -3.687 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.429 -4.741 -4.420 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.794 -7.044 -3.753 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.809 -4.767 -4.487 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.487 -5.921 -4.153 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.861 -5.951 -4.218 1.00 0.00 O ATOM 0 H TYR A 90 -1.703 -5.321 -6.553 1.00 0.00 H new ATOM 0 HA TYR A 90 0.560 -6.454 -5.013 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.872 -6.394 -3.077 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.874 -4.797 -3.797 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.876 -7.890 -3.371 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.901 -3.836 -4.683 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.327 -7.946 -3.493 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.354 -3.888 -4.799 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.205 -5.037 -4.298 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.524 -8.774 -4.770 1.00 0.00 N ATOM 1195 CA LEU A 91 -0.942 -10.159 -4.955 1.00 0.00 C ATOM 1196 C LEU A 91 -1.294 -10.805 -3.618 1.00 0.00 C ATOM 1197 O LEU A 91 -0.422 -11.172 -2.831 1.00 0.00 O ATOM 1198 CB LEU A 91 0.163 -10.958 -5.646 1.00 0.00 C ATOM 1199 CG LEU A 91 0.104 -11.005 -7.173 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.466 -11.358 -7.750 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -0.948 -12.001 -7.636 1.00 0.00 C ATOM 0 H LEU A 91 0.186 -8.641 -4.050 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.832 -10.163 -5.585 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.125 -10.538 -5.353 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.134 -11.981 -5.270 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.176 -10.016 -7.537 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.404 -11.387 -8.838 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.195 -10.606 -7.448 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.777 -12.335 -7.378 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -0.976 -12.021 -8.725 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.699 -12.994 -7.261 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -1.924 -11.703 -7.254 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.601 -10.949 -3.356 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.098 -11.554 -2.117 1.00 0.00 C ATOM 1215 C PRO A 92 -2.819 -13.051 -2.050 1.00 0.00 C ATOM 1216 O PRO A 92 -2.483 -13.677 -3.056 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.605 -11.292 -2.173 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.912 -11.159 -3.625 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.695 -10.533 -4.250 1.00 0.00 C ATOM 0 HA PRO A 92 -2.612 -11.135 -1.236 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.166 -12.111 -1.723 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.870 -10.386 -1.628 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.123 -12.131 -4.070 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.794 -10.539 -3.782 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.539 -10.888 -5.269 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.782 -9.448 -4.300 1.00 0.00 H new ATOM 1227 N THR A 93 -2.961 -13.623 -0.858 1.00 0.00 N ATOM 1228 CA THR A 93 -2.724 -15.047 -0.660 1.00 0.00 C ATOM 1229 C THR A 93 -4.006 -15.767 -0.256 1.00 0.00 C ATOM 1230 O THR A 93 -4.253 -16.898 -0.675 1.00 0.00 O ATOM 1231 CB THR A 93 -1.650 -15.293 0.416 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.987 -14.588 1.616 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.281 -14.845 -0.073 1.00 0.00 C ATOM 0 H THR A 93 -3.239 -13.121 -0.015 1.00 0.00 H new ATOM 0 HA THR A 93 -2.372 -15.444 -1.612 1.00 0.00 H new ATOM 0 HB THR A 93 -1.613 -16.363 0.622 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.318 -14.779 2.306 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.461 -15.029 0.704 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.014 -15.405 -0.969 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.308 -13.780 -0.305 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.819 -15.104 0.559 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.078 -15.680 1.018 1.00 0.00 C ATOM 1243 C LYS A 94 -7.219 -14.678 0.872 1.00 0.00 C ATOM 1244 O LYS A 94 -7.021 -13.464 0.918 1.00 0.00 O ATOM 1245 CB LYS A 94 -5.957 -16.123 2.478 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.787 -14.969 3.451 1.00 0.00 C ATOM 1247 CD LYS A 94 -7.128 -14.476 3.970 1.00 0.00 C ATOM 1248 CE LYS A 94 -7.745 -15.463 4.948 1.00 0.00 C ATOM 1249 NZ LYS A 94 -7.235 -15.264 6.333 1.00 0.00 N ATOM 0 H LYS A 94 -4.629 -14.167 0.915 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.299 -16.549 0.398 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -6.847 -16.690 2.752 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.106 -16.798 2.575 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.166 -15.286 4.289 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.263 -14.150 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -6.997 -13.511 4.460 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.808 -14.319 3.133 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -8.829 -15.352 4.941 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -7.527 -16.480 4.623 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -7.600 -16.018 6.949 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.195 -15.294 6.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -7.553 -14.341 6.691 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.443 -15.197 0.694 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.640 -14.365 0.540 1.00 0.00 C ATOM 1265 C PRO A 95 -10.023 -13.655 1.834 1.00 0.00 C ATOM 1266 O PRO A 95 -10.169 -14.286 2.880 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.723 -15.371 0.142 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.255 -16.671 0.699 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.753 -16.635 0.629 1.00 0.00 C ATOM 0 HA PRO A 95 -9.491 -13.568 -0.188 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.693 -15.091 0.552 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.837 -15.422 -0.941 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.595 -16.800 1.727 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.653 -17.508 0.124 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.299 -17.182 1.455 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.383 -17.085 -0.292 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.184 -12.337 1.756 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.549 -11.563 2.928 1.00 0.00 C ATOM 1279 C GLY A 96 -10.732 -10.091 2.617 1.00 0.00 C ATOM 1280 O GLY A 96 -11.457 -9.732 1.691 1.00 0.00 O ATOM 0 H GLY A 96 -10.068 -11.792 0.902 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.473 -11.960 3.348 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.778 -11.677 3.690 1.00 0.00 H new ATOM 1284 N GLU A 97 -10.073 -9.237 3.395 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.169 -7.796 3.198 1.00 0.00 C ATOM 1286 C GLU A 97 -8.808 -7.130 3.380 1.00 0.00 C ATOM 1287 O GLU A 97 -8.226 -7.168 4.464 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.179 -7.191 4.175 1.00 0.00 C ATOM 1289 CG GLU A 97 -11.050 -7.726 5.592 1.00 0.00 C ATOM 1290 CD GLU A 97 -11.697 -9.087 5.762 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -12.927 -9.188 5.576 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -10.971 -10.052 6.083 1.00 0.00 O ATOM 0 H GLU A 97 -9.468 -9.518 4.166 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.509 -7.617 2.178 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.053 -6.108 4.191 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.187 -7.389 3.811 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.995 -7.794 5.856 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.508 -7.021 6.286 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.306 -6.521 2.311 1.00 0.00 N ATOM 1300 CA TYR A 98 -7.013 -5.849 2.351 1.00 0.00 C ATOM 1301 C TYR A 98 -7.187 -4.336 2.441 1.00 0.00 C ATOM 1302 O TYR A 98 -7.822 -3.721 1.584 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.190 -6.207 1.112 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.906 -7.686 0.980 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.855 -8.551 0.449 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.689 -8.219 1.387 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.600 -9.903 0.327 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.425 -9.569 1.267 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.384 -10.407 0.737 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.125 -11.753 0.618 1.00 0.00 O ATOM 0 H TYR A 98 -8.775 -6.479 1.406 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.483 -6.188 3.241 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.721 -5.867 0.223 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.245 -5.666 1.145 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.808 -8.159 0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.937 -7.566 1.804 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.349 -10.562 -0.087 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.473 -9.967 1.586 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.835 -12.263 1.060 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.617 -3.742 3.484 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.709 -2.301 3.687 1.00 0.00 C ATOM 1322 C PHE A 99 -5.466 -1.596 3.152 1.00 0.00 C ATOM 1323 O PHE A 99 -4.371 -1.746 3.695 1.00 0.00 O ATOM 1324 CB PHE A 99 -6.888 -1.985 5.174 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.227 -2.394 5.717 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.526 -3.732 5.922 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.186 -1.442 6.022 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.758 -4.111 6.421 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.420 -1.816 6.522 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.705 -3.152 6.722 1.00 0.00 C ATOM 0 H PHE A 99 -6.087 -4.236 4.202 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.577 -1.936 3.138 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.106 -2.489 5.741 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.754 -0.914 5.328 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.789 -4.486 5.689 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.967 -0.396 5.868 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -9.980 -5.157 6.575 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.159 -1.064 6.756 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.667 -3.447 7.113 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.644 -0.827 2.082 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.538 -0.098 1.473 1.00 0.00 C ATOM 1342 C VAL A 100 -4.330 1.252 2.149 1.00 0.00 C ATOM 1343 O VAL A 100 -5.091 2.192 1.927 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.775 0.125 -0.033 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.576 0.814 -0.666 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.070 -1.195 -0.727 1.00 0.00 C ATOM 0 H VAL A 100 -6.543 -0.693 1.620 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.645 -0.709 1.607 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.642 0.774 -0.154 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.762 0.963 -1.730 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.416 1.780 -0.187 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.689 0.194 -0.536 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.235 -1.018 -1.790 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.224 -1.871 -0.598 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.963 -1.644 -0.291 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.293 1.340 2.976 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.985 2.576 3.686 1.00 0.00 C ATOM 1358 C ASN A 101 -2.258 3.560 2.775 1.00 0.00 C ATOM 1359 O ASN A 101 -1.109 3.334 2.392 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.131 2.280 4.921 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.854 1.407 5.928 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.433 1.905 6.894 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.822 0.098 5.708 1.00 0.00 N ATOM 0 H ASN A 101 -2.652 0.571 3.171 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.925 3.028 4.002 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.209 1.787 4.612 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.846 3.219 5.396 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.290 -0.539 6.353 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.330 -0.270 4.894 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.934 4.651 2.432 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.352 5.670 1.568 1.00 0.00 C ATOM 1372 C ILE A 102 -2.116 6.969 2.331 1.00 0.00 C ATOM 1373 O ILE A 102 -3.061 7.683 2.670 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.252 5.958 0.352 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.639 4.652 -0.345 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.547 6.894 -0.619 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.506 4.853 -1.567 1.00 0.00 C ATOM 0 H ILE A 102 -3.886 4.852 2.739 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.397 5.279 1.218 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.163 6.446 0.700 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.732 4.123 -0.636 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -4.167 4.014 0.364 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.196 7.088 -1.473 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.317 7.834 -0.117 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.622 6.431 -0.964 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.741 3.885 -2.009 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.430 5.354 -1.279 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.973 5.465 -2.295 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.850 7.271 2.597 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.489 8.486 3.318 1.00 0.00 C ATOM 1391 C LEU A 103 0.588 9.265 2.569 1.00 0.00 C ATOM 1392 O LEU A 103 1.631 8.717 2.213 1.00 0.00 O ATOM 1393 CB LEU A 103 0.002 8.141 4.725 1.00 0.00 C ATOM 1394 CG LEU A 103 0.681 6.780 4.884 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.154 6.872 4.517 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.515 6.264 6.306 1.00 0.00 C ATOM 0 H LEU A 103 -0.056 6.691 2.324 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.378 9.112 3.393 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.702 8.913 5.043 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.849 8.182 5.405 1.00 0.00 H new ATOM 0 HG LEU A 103 0.202 6.075 4.205 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.620 5.894 4.636 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.251 7.196 3.481 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.648 7.591 5.170 1.00 0.00 H new ATOM 0 HD21 LEU A 103 1.004 5.295 6.401 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.967 6.969 7.004 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.546 6.159 6.533 1.00 0.00 H new ATOM 1408 N PHE A 104 0.328 10.547 2.335 1.00 0.00 N ATOM 1409 CA PHE A 104 1.276 11.402 1.629 1.00 0.00 C ATOM 1410 C PHE A 104 2.094 12.235 2.611 1.00 0.00 C ATOM 1411 O PHE A 104 1.553 13.079 3.325 1.00 0.00 O ATOM 1412 CB PHE A 104 0.537 12.323 0.655 1.00 0.00 C ATOM 1413 CG PHE A 104 1.435 12.960 -0.366 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.369 12.204 -1.055 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.345 14.316 -0.636 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.197 12.787 -1.995 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.170 14.905 -1.576 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.098 14.140 -2.255 1.00 0.00 C ATOM 0 H PHE A 104 -0.530 11.017 2.623 1.00 0.00 H new ATOM 0 HA PHE A 104 1.957 10.761 1.068 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.235 11.751 0.141 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.031 13.105 1.220 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.451 11.146 -0.855 1.00 0.00 H new ATOM 0 HD2 PHE A 104 0.623 14.919 -0.106 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.920 12.186 -2.526 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.089 15.963 -1.779 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.745 14.599 -2.988 1.00 0.00 H new ATOM 1428 N GLU A 105 3.400 11.989 2.642 1.00 0.00 N ATOM 1429 CA GLU A 105 4.293 12.715 3.538 1.00 0.00 C ATOM 1430 C GLU A 105 3.828 12.591 4.986 1.00 0.00 C ATOM 1431 O GLU A 105 3.773 13.579 5.717 1.00 0.00 O ATOM 1432 CB GLU A 105 4.364 14.190 3.138 1.00 0.00 C ATOM 1433 CG GLU A 105 4.906 14.415 1.737 1.00 0.00 C ATOM 1434 CD GLU A 105 6.414 14.574 1.713 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.110 13.729 2.315 1.00 0.00 O ATOM 1436 OE2 GLU A 105 6.898 15.544 1.094 1.00 0.00 O ATOM 0 H GLU A 105 3.863 11.293 2.057 1.00 0.00 H new ATOM 0 HA GLU A 105 5.287 12.275 3.454 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.367 14.625 3.207 1.00 0.00 H new ATOM 0 HB3 GLU A 105 4.994 14.721 3.852 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.623 13.575 1.103 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.444 15.306 1.311 1.00 0.00 H new ATOM 1443 N GLU A 106 3.495 11.370 5.392 1.00 0.00 N ATOM 1444 CA GLU A 106 3.034 11.117 6.752 1.00 0.00 C ATOM 1445 C GLU A 106 1.650 11.719 6.978 1.00 0.00 C ATOM 1446 O GLU A 106 1.323 12.154 8.083 1.00 0.00 O ATOM 1447 CB GLU A 106 4.025 11.693 7.766 1.00 0.00 C ATOM 1448 CG GLU A 106 5.478 11.395 7.434 1.00 0.00 C ATOM 1449 CD GLU A 106 6.370 11.406 8.660 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.765 12.508 9.095 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.674 10.314 9.183 1.00 0.00 O ATOM 0 H GLU A 106 3.536 10.541 4.799 1.00 0.00 H new ATOM 0 HA GLU A 106 2.969 10.038 6.891 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.888 12.773 7.822 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.797 11.291 8.753 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.544 10.421 6.950 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.842 12.132 6.718 1.00 0.00 H new ATOM 1458 N VAL A 107 0.841 11.741 5.924 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.507 12.289 6.006 1.00 0.00 C ATOM 1460 C VAL A 107 -1.519 11.361 5.343 1.00 0.00 C ATOM 1461 O VAL A 107 -1.536 11.215 4.121 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.590 13.677 5.345 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.896 14.366 5.711 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.603 14.531 5.747 1.00 0.00 C ATOM 0 H VAL A 107 1.096 11.385 5.003 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.746 12.385 7.065 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.566 13.546 4.263 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.937 15.346 5.235 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.735 13.761 5.368 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.953 14.486 6.793 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.528 15.508 5.271 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.613 14.655 6.830 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.524 14.042 5.429 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.362 10.735 6.158 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.379 9.821 5.651 1.00 0.00 C ATOM 1476 C HIS A 108 -4.364 10.553 4.744 1.00 0.00 C ATOM 1477 O HIS A 108 -5.049 11.480 5.176 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.128 9.163 6.810 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.520 7.870 7.259 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.098 6.642 7.016 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.377 7.618 7.939 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.338 5.691 7.528 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.287 6.257 8.093 1.00 0.00 N ATOM 0 H HIS A 108 -2.361 10.844 7.172 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.879 9.049 5.067 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.156 9.854 7.653 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.161 8.985 6.510 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.668 8.351 8.294 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.541 4.631 7.491 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.531 5.763 8.567 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.428 10.130 3.486 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.328 10.746 2.519 1.00 0.00 C ATOM 1494 C ILE A 109 -6.786 10.541 2.917 1.00 0.00 C ATOM 1495 O ILE A 109 -7.145 9.561 3.570 1.00 0.00 O ATOM 1496 CB ILE A 109 -5.109 10.177 1.104 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.612 8.734 1.028 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.638 10.253 0.725 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.755 8.219 -0.387 1.00 0.00 C ATOM 0 H ILE A 109 -3.868 9.364 3.113 1.00 0.00 H new ATOM 0 HA ILE A 109 -5.102 11.812 2.512 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.678 10.777 0.394 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.924 8.088 1.573 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.577 8.667 1.530 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.499 9.847 -0.277 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.311 11.292 0.744 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -3.049 9.674 1.436 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.115 7.191 -0.365 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.466 8.841 -0.931 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.787 8.254 -0.886 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.648 11.486 2.513 1.00 0.00 N ATOM 1512 CA PRO A 110 -9.082 11.430 2.815 1.00 0.00 C ATOM 1513 C PRO A 110 -9.792 10.317 2.051 1.00 0.00 C ATOM 1514 O PRO A 110 -10.411 10.559 1.016 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.593 12.800 2.362 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.624 13.240 1.320 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.290 12.681 1.732 1.00 0.00 C ATOM 0 HA PRO A 110 -9.269 11.216 3.867 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.604 12.732 1.959 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.628 13.504 3.193 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.915 12.871 0.336 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.588 14.327 1.255 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.676 12.427 0.868 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.722 13.395 2.328 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.697 9.096 2.569 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.336 7.965 1.922 1.00 0.00 C ATOM 1527 C GLY A 111 -9.647 6.652 2.237 1.00 0.00 C ATOM 1528 O GLY A 111 -10.205 5.579 2.007 1.00 0.00 O ATOM 0 H GLY A 111 -9.189 8.870 3.424 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.378 7.910 2.238 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.338 8.121 0.843 1.00 0.00 H new ATOM 1532 N SER A 112 -8.429 6.736 2.764 1.00 0.00 N ATOM 1533 CA SER A 112 -7.661 5.545 3.106 1.00 0.00 C ATOM 1534 C SER A 112 -7.735 5.262 4.604 1.00 0.00 C ATOM 1535 O SER A 112 -7.957 6.156 5.420 1.00 0.00 O ATOM 1536 CB SER A 112 -6.201 5.715 2.680 1.00 0.00 C ATOM 1537 OG SER A 112 -5.423 6.261 3.730 1.00 0.00 O ATOM 0 H SER A 112 -7.954 7.616 2.963 1.00 0.00 H new ATOM 0 HA SER A 112 -8.093 4.699 2.572 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.791 4.750 2.384 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.147 6.366 1.807 1.00 0.00 H new ATOM 0 HG SER A 112 -4.646 6.725 3.354 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.545 3.987 4.974 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.280 2.914 4.011 1.00 0.00 C ATOM 1545 C PRO A 113 -8.501 2.587 3.158 1.00 0.00 C ATOM 1546 O PRO A 113 -9.604 3.064 3.426 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.914 1.723 4.899 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.585 2.000 6.200 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.574 3.495 6.361 1.00 0.00 C ATOM 0 HA PRO A 113 -6.501 3.188 3.299 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.262 0.785 4.466 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.834 1.637 5.021 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.605 1.615 6.203 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.058 1.515 7.022 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.457 3.848 6.894 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.704 3.832 6.925 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.297 1.770 2.129 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.381 1.380 1.236 1.00 0.00 C ATOM 1559 C PHE A 114 -9.637 -0.122 1.316 1.00 0.00 C ATOM 1560 O PHE A 114 -8.988 -0.912 0.630 1.00 0.00 O ATOM 1561 CB PHE A 114 -9.052 1.777 -0.204 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.217 3.245 -0.474 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.235 4.147 -0.096 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.353 3.724 -1.105 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.383 5.498 -0.343 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.507 5.074 -1.355 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.521 5.963 -0.973 1.00 0.00 C ATOM 0 H PHE A 114 -7.391 1.366 1.894 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.284 1.902 1.552 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -8.025 1.488 -0.426 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.695 1.216 -0.883 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.343 3.789 0.398 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -11.128 3.034 -1.405 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.610 6.190 -0.044 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.398 5.434 -1.849 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.640 7.019 -1.166 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.588 -0.511 2.159 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.932 -1.917 2.330 1.00 0.00 C ATOM 1579 C LYS A 115 -11.320 -2.548 0.997 1.00 0.00 C ATOM 1580 O LYS A 115 -12.301 -2.147 0.372 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.081 -2.064 3.330 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.405 -3.507 3.676 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.446 -4.087 2.733 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.830 -3.522 3.015 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.684 -3.514 1.795 1.00 0.00 N ATOM 0 H LYS A 115 -11.135 0.129 2.735 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.054 -2.436 2.716 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.826 -1.528 4.244 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -12.972 -1.589 2.920 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.496 -4.106 3.629 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.770 -3.563 4.701 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.166 -3.869 1.702 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.467 -5.172 2.835 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.313 -4.114 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.736 -2.506 3.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.559 -2.986 1.987 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.170 -3.059 1.014 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.921 -4.492 1.530 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.544 -3.539 0.568 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.809 -4.227 -0.689 1.00 0.00 C ATOM 1601 C ALA A 116 -11.273 -5.659 -0.443 1.00 0.00 C ATOM 1602 O ALA A 116 -10.514 -6.491 0.054 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.568 -4.217 -1.568 1.00 0.00 C ATOM 0 H ALA A 116 -9.727 -3.883 1.073 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.610 -3.696 -1.204 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.781 -4.734 -2.504 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.281 -3.187 -1.780 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.752 -4.722 -1.051 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.524 -5.939 -0.793 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.089 -7.270 -0.611 1.00 0.00 C ATOM 1611 C ASP A 117 -12.620 -8.215 -1.713 1.00 0.00 C ATOM 1612 O ASP A 117 -12.973 -8.047 -2.880 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.617 -7.202 -0.598 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.173 -6.929 0.786 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.645 -7.504 1.761 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -16.135 -6.140 0.895 1.00 0.00 O ATOM 0 H ASP A 117 -13.166 -5.261 -1.204 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.742 -7.657 0.347 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.949 -6.419 -1.280 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.023 -8.143 -0.970 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.822 -9.208 -1.333 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.305 -10.179 -2.289 1.00 0.00 C ATOM 1623 C ILE A 118 -12.125 -11.465 -2.265 1.00 0.00 C ATOM 1624 O ILE A 118 -12.684 -11.836 -1.234 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.830 -10.519 -2.004 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.950 -9.284 -2.210 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.367 -11.660 -2.897 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.897 -8.813 -3.646 1.00 0.00 C ATOM 0 H ILE A 118 -11.520 -9.361 -0.371 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.380 -9.721 -3.275 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.740 -10.837 -0.965 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.323 -8.474 -1.584 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.938 -9.508 -1.872 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.323 -11.888 -2.684 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.978 -12.542 -2.706 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.468 -11.368 -3.942 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.256 -7.935 -3.717 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.496 -9.608 -4.275 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.902 -8.557 -3.982 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.190 -12.140 -3.408 1.00 0.00 N ATOM 1641 CA GLU A 119 -12.941 -13.385 -3.517 1.00 0.00 C ATOM 1642 C GLU A 119 -12.078 -14.490 -4.121 1.00 0.00 C ATOM 1643 O GLU A 119 -11.002 -14.228 -4.657 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.194 -13.178 -4.370 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.142 -12.129 -3.814 1.00 0.00 C ATOM 1646 CD GLU A 119 -15.536 -12.404 -2.375 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.286 -13.374 -2.140 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -15.094 -11.647 -1.485 1.00 0.00 O ATOM 0 H GLU A 119 -11.732 -11.846 -4.271 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.240 -13.688 -2.513 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.894 -12.887 -5.377 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.725 -14.126 -4.457 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.670 -11.148 -3.877 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.039 -12.091 -4.432 1.00 0.00 H new ATOM 1655 N MET A 120 -12.560 -15.725 -4.030 1.00 0.00 N ATOM 1656 CA MET A 120 -11.834 -16.870 -4.568 1.00 0.00 C ATOM 1657 C MET A 120 -12.144 -17.063 -6.049 1.00 0.00 C ATOM 1658 O MET A 120 -13.296 -17.003 -6.479 1.00 0.00 O ATOM 1659 CB MET A 120 -12.190 -18.138 -3.790 1.00 0.00 C ATOM 1660 CG MET A 120 -11.730 -18.112 -2.342 1.00 0.00 C ATOM 1661 SD MET A 120 -11.863 -19.722 -1.541 1.00 0.00 S ATOM 1662 CE MET A 120 -10.242 -19.863 -0.792 1.00 0.00 C ATOM 0 H MET A 120 -13.450 -15.959 -3.589 1.00 0.00 H new ATOM 0 HA MET A 120 -10.767 -16.675 -4.461 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.270 -18.279 -3.817 1.00 0.00 H new ATOM 0 HB3 MET A 120 -11.743 -18.998 -4.289 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.695 -17.774 -2.300 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.325 -17.385 -1.789 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.889 -20.891 -0.879 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.546 -19.196 -1.302 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.303 -19.588 0.261 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.094 -17.302 -6.848 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.230 -17.510 -8.293 1.00 0.00 C ATOM 1674 C PRO A 121 -11.910 -18.833 -8.627 1.00 0.00 C ATOM 1675 O PRO A 121 -12.068 -19.696 -7.764 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.782 -17.512 -8.789 1.00 0.00 C ATOM 1677 CG PRO A 121 -8.978 -17.934 -7.608 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.693 -17.388 -6.404 1.00 0.00 C ATOM 0 HA PRO A 121 -11.853 -16.746 -8.758 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.650 -18.200 -9.624 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.482 -16.524 -9.140 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.901 -19.020 -7.557 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -7.962 -17.544 -7.668 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.585 -18.045 -5.541 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.303 -16.412 -6.113 1.00 0.00 H new