USER MOD reduce.3.24.130724 H: found=0, std=0, add=483, rem=0, adj=11 USER MOD reduce.3.24.130724 removed 485 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 46 TYR OH : rot -130:sc= 1 USER MOD Set 1.2: A 70 THR OG1 : rot 166:sc= 1.15 USER MOD Single : A 32 LYS NZ :NH3+ 136:sc= -1.68! (180deg=-4.24!) USER MOD Single : A 49 MET CE :methyl -171:sc= 0 (180deg=-0.263) USER MOD Single : A 51 LYS NZ :NH3+ -115:sc= 0.728 (180deg=0) USER MOD Single : A 53 SER OG : rot 180:sc= 0 USER MOD Single : A 77 SER OG : rot 95:sc= 1.19 USER MOD Single : A 78 SER OG : rot 97:sc= 1.19 USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 84 SER OG : rot -110:sc= 0.429 USER MOD Single : A 94 LYS NZ :NH3+ 137:sc= 0.344 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 368 N PHE A 27 3.143 -0.638 -1.242 1.00 0.00 N ATOM 369 CA PHE A 27 2.457 0.064 -2.320 1.00 0.00 C ATOM 370 C PHE A 27 2.355 1.557 -2.019 1.00 0.00 C ATOM 371 O PHE A 27 1.298 2.051 -1.626 1.00 0.00 O ATOM 372 CB PHE A 27 1.059 -0.521 -2.530 1.00 0.00 C ATOM 373 CG PHE A 27 0.131 0.394 -3.277 1.00 0.00 C ATOM 374 CD1 PHE A 27 0.388 0.739 -4.594 1.00 0.00 C ATOM 375 CD2 PHE A 27 -0.999 0.909 -2.662 1.00 0.00 C ATOM 376 CE1 PHE A 27 -0.463 1.581 -5.283 1.00 0.00 C ATOM 377 CE2 PHE A 27 -1.854 1.752 -3.346 1.00 0.00 C ATOM 378 CZ PHE A 27 -1.587 2.087 -4.658 1.00 0.00 C ATOM 0 HA PHE A 27 3.039 -0.066 -3.232 1.00 0.00 H new ATOM 0 HB2 PHE A 27 1.146 -1.461 -3.075 1.00 0.00 H new ATOM 0 HB3 PHE A 27 0.622 -0.754 -1.559 1.00 0.00 H new ATOM 0 HD1 PHE A 27 1.264 0.345 -5.088 1.00 0.00 H new ATOM 0 HD2 PHE A 27 -1.214 0.648 -1.636 1.00 0.00 H new ATOM 0 HE1 PHE A 27 -0.250 1.844 -6.309 1.00 0.00 H new ATOM 0 HE2 PHE A 27 -2.730 2.148 -2.854 1.00 0.00 H new ATOM 0 HZ PHE A 27 -2.255 2.743 -5.195 1.00 0.00 H new ATOM 388 N ASP A 28 3.461 2.269 -2.205 1.00 0.00 N ATOM 389 CA ASP A 28 3.497 3.705 -1.954 1.00 0.00 C ATOM 390 C ASP A 28 2.232 4.380 -2.474 1.00 0.00 C ATOM 391 O ASP A 28 1.671 5.258 -1.821 1.00 0.00 O ATOM 392 CB ASP A 28 4.730 4.328 -2.611 1.00 0.00 C ATOM 393 CG ASP A 28 6.022 3.697 -2.133 1.00 0.00 C ATOM 394 OD1 ASP A 28 6.191 3.551 -0.904 1.00 0.00 O ATOM 395 OD2 ASP A 28 6.865 3.350 -2.986 1.00 0.00 O ATOM 0 H ASP A 28 4.344 1.875 -2.529 1.00 0.00 H new ATOM 0 HA ASP A 28 3.552 3.859 -0.876 1.00 0.00 H new ATOM 0 HB2 ASP A 28 4.655 4.220 -3.693 1.00 0.00 H new ATOM 0 HB3 ASP A 28 4.751 5.397 -2.398 1.00 0.00 H new ATOM 400 N GLY A 29 1.788 3.963 -3.656 1.00 0.00 N ATOM 401 CA GLY A 29 0.593 4.538 -4.245 1.00 0.00 C ATOM 402 C GLY A 29 -0.441 4.918 -3.204 1.00 0.00 C ATOM 403 O GLY A 29 -1.056 4.050 -2.584 1.00 0.00 O ATOM 0 H GLY A 29 2.235 3.237 -4.216 1.00 0.00 H new ATOM 0 HA2 GLY A 29 0.865 5.422 -4.822 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.156 3.824 -4.943 1.00 0.00 H new ATOM 407 N VAL A 30 -0.634 6.219 -3.010 1.00 0.00 N ATOM 408 CA VAL A 30 -1.600 6.711 -2.036 1.00 0.00 C ATOM 409 C VAL A 30 -3.019 6.305 -2.416 1.00 0.00 C ATOM 410 O VAL A 30 -3.445 6.489 -3.556 1.00 0.00 O ATOM 411 CB VAL A 30 -1.535 8.245 -1.906 1.00 0.00 C ATOM 412 CG1 VAL A 30 -1.792 8.906 -3.252 1.00 0.00 C ATOM 413 CG2 VAL A 30 -2.529 8.734 -0.864 1.00 0.00 C ATOM 0 H VAL A 30 -0.134 6.951 -3.515 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.340 6.261 -1.078 1.00 0.00 H new ATOM 0 HB VAL A 30 -0.534 8.522 -1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -1.742 9.989 -3.141 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -1.037 8.580 -3.968 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -2.781 8.623 -3.613 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -2.469 9.820 -0.785 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.538 8.447 -1.160 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -2.293 8.287 0.102 1.00 0.00 H new ATOM 423 N VAL A 31 -3.748 5.750 -1.452 1.00 0.00 N ATOM 424 CA VAL A 31 -5.121 5.318 -1.685 1.00 0.00 C ATOM 425 C VAL A 31 -6.030 6.508 -1.973 1.00 0.00 C ATOM 426 O VAL A 31 -5.728 7.640 -1.597 1.00 0.00 O ATOM 427 CB VAL A 31 -5.678 4.542 -0.476 1.00 0.00 C ATOM 428 CG1 VAL A 31 -7.020 3.912 -0.818 1.00 0.00 C ATOM 429 CG2 VAL A 31 -4.684 3.485 -0.019 1.00 0.00 C ATOM 0 H VAL A 31 -3.410 5.589 -0.503 1.00 0.00 H new ATOM 0 HA VAL A 31 -5.103 4.659 -2.553 1.00 0.00 H new ATOM 0 HB VAL A 31 -5.832 5.243 0.345 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -7.398 3.368 0.048 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -7.729 4.693 -1.094 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -6.896 3.223 -1.653 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -5.093 2.946 0.836 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.497 2.785 -0.833 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -3.749 3.965 0.269 1.00 0.00 H new ATOM 439 N LYS A 32 -7.146 6.243 -2.644 1.00 0.00 N ATOM 440 CA LYS A 32 -8.102 7.291 -2.983 1.00 0.00 C ATOM 441 C LYS A 32 -9.321 7.232 -2.068 1.00 0.00 C ATOM 442 O LYS A 32 -9.815 8.262 -1.609 1.00 0.00 O ATOM 443 CB LYS A 32 -8.541 7.157 -4.443 1.00 0.00 C ATOM 444 CG LYS A 32 -7.385 6.960 -5.410 1.00 0.00 C ATOM 445 CD LYS A 32 -6.898 8.285 -5.972 1.00 0.00 C ATOM 446 CE LYS A 32 -6.026 9.028 -4.972 1.00 0.00 C ATOM 447 NZ LYS A 32 -6.822 9.965 -4.131 1.00 0.00 N ATOM 0 H LYS A 32 -7.411 5.311 -2.964 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.611 8.254 -2.844 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -9.226 6.314 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -9.096 8.050 -4.730 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -6.564 6.456 -4.900 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -7.699 6.310 -6.227 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -6.333 8.108 -6.887 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -7.754 8.904 -6.240 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -5.515 8.309 -4.331 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -5.255 9.584 -5.505 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -6.522 9.881 -3.139 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -6.669 10.940 -4.458 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -7.832 9.728 -4.208 1.00 0.00 H new ATOM 461 N ASP A 33 -9.800 6.021 -1.806 1.00 0.00 N ATOM 462 CA ASP A 33 -10.959 5.827 -0.943 1.00 0.00 C ATOM 463 C ASP A 33 -10.895 4.475 -0.240 1.00 0.00 C ATOM 464 O ASP A 33 -10.192 3.567 -0.684 1.00 0.00 O ATOM 465 CB ASP A 33 -12.250 5.932 -1.756 1.00 0.00 C ATOM 466 CG ASP A 33 -12.165 5.189 -3.075 1.00 0.00 C ATOM 467 OD1 ASP A 33 -12.444 3.971 -3.089 1.00 0.00 O ATOM 468 OD2 ASP A 33 -11.821 5.824 -4.093 1.00 0.00 O ATOM 0 H ASP A 33 -9.403 5.159 -2.179 1.00 0.00 H new ATOM 0 HA ASP A 33 -10.951 6.610 -0.185 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -13.078 5.533 -1.170 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -12.471 6.982 -1.947 1.00 0.00 H new ATOM 473 N ALA A 34 -11.631 4.349 0.859 1.00 0.00 N ATOM 474 CA ALA A 34 -11.658 3.108 1.623 1.00 0.00 C ATOM 475 C ALA A 34 -11.852 1.904 0.707 1.00 0.00 C ATOM 476 O ALA A 34 -11.096 0.935 0.772 1.00 0.00 O ATOM 477 CB ALA A 34 -12.758 3.158 2.673 1.00 0.00 C ATOM 0 H ALA A 34 -12.217 5.092 1.240 1.00 0.00 H new ATOM 0 HA ALA A 34 -10.697 2.998 2.125 1.00 0.00 H new ATOM 0 HB1 ALA A 34 -12.766 2.225 3.236 1.00 0.00 H new ATOM 0 HB2 ALA A 34 -12.575 3.990 3.353 1.00 0.00 H new ATOM 0 HB3 ALA A 34 -13.722 3.295 2.184 1.00 0.00 H new ATOM 483 N GLU A 35 -12.870 1.973 -0.145 1.00 0.00 N ATOM 484 CA GLU A 35 -13.164 0.887 -1.073 1.00 0.00 C ATOM 485 C GLU A 35 -11.918 0.492 -1.860 1.00 0.00 C ATOM 486 O GLU A 35 -11.652 -0.692 -2.068 1.00 0.00 O ATOM 487 CB GLU A 35 -14.280 1.296 -2.036 1.00 0.00 C ATOM 488 CG GLU A 35 -15.617 1.532 -1.353 1.00 0.00 C ATOM 489 CD GLU A 35 -16.408 0.253 -1.162 1.00 0.00 C ATOM 490 OE1 GLU A 35 -16.330 -0.630 -2.042 1.00 0.00 O ATOM 491 OE2 GLU A 35 -17.105 0.134 -0.133 1.00 0.00 O ATOM 0 H GLU A 35 -13.505 2.769 -0.212 1.00 0.00 H new ATOM 0 HA GLU A 35 -13.494 0.026 -0.491 1.00 0.00 H new ATOM 0 HB2 GLU A 35 -13.983 2.205 -2.558 1.00 0.00 H new ATOM 0 HB3 GLU A 35 -14.399 0.519 -2.791 1.00 0.00 H new ATOM 0 HG2 GLU A 35 -15.448 1.998 -0.382 1.00 0.00 H new ATOM 0 HG3 GLU A 35 -16.205 2.233 -1.945 1.00 0.00 H new ATOM 498 N GLU A 36 -11.158 1.492 -2.295 1.00 0.00 N ATOM 499 CA GLU A 36 -9.941 1.249 -3.061 1.00 0.00 C ATOM 500 C GLU A 36 -8.853 0.648 -2.176 1.00 0.00 C ATOM 501 O GLU A 36 -8.047 -0.164 -2.630 1.00 0.00 O ATOM 502 CB GLU A 36 -9.440 2.550 -3.691 1.00 0.00 C ATOM 503 CG GLU A 36 -8.095 2.412 -4.385 1.00 0.00 C ATOM 504 CD GLU A 36 -7.639 3.703 -5.036 1.00 0.00 C ATOM 505 OE1 GLU A 36 -8.248 4.104 -6.050 1.00 0.00 O ATOM 506 OE2 GLU A 36 -6.674 4.313 -4.531 1.00 0.00 O ATOM 0 H GLU A 36 -11.363 2.477 -2.130 1.00 0.00 H new ATOM 0 HA GLU A 36 -10.176 0.538 -3.853 1.00 0.00 H new ATOM 0 HB2 GLU A 36 -10.177 2.902 -4.413 1.00 0.00 H new ATOM 0 HB3 GLU A 36 -9.363 3.313 -2.916 1.00 0.00 H new ATOM 0 HG2 GLU A 36 -7.347 2.092 -3.659 1.00 0.00 H new ATOM 0 HG3 GLU A 36 -8.160 1.631 -5.142 1.00 0.00 H new ATOM 513 N ALA A 37 -8.837 1.053 -0.910 1.00 0.00 N ATOM 514 CA ALA A 37 -7.849 0.553 0.039 1.00 0.00 C ATOM 515 C ALA A 37 -8.030 -0.941 0.284 1.00 0.00 C ATOM 516 O ALA A 37 -7.058 -1.669 0.486 1.00 0.00 O ATOM 517 CB ALA A 37 -7.943 1.320 1.350 1.00 0.00 C ATOM 0 H ALA A 37 -9.496 1.725 -0.518 1.00 0.00 H new ATOM 0 HA ALA A 37 -6.859 0.706 -0.390 1.00 0.00 H new ATOM 0 HB1 ALA A 37 -7.200 0.937 2.050 1.00 0.00 H new ATOM 0 HB2 ALA A 37 -7.757 2.378 1.167 1.00 0.00 H new ATOM 0 HB3 ALA A 37 -8.939 1.195 1.774 1.00 0.00 H new ATOM 523 N VAL A 38 -9.280 -1.392 0.265 1.00 0.00 N ATOM 524 CA VAL A 38 -9.588 -2.800 0.485 1.00 0.00 C ATOM 525 C VAL A 38 -9.083 -3.660 -0.669 1.00 0.00 C ATOM 526 O VAL A 38 -8.408 -4.667 -0.456 1.00 0.00 O ATOM 527 CB VAL A 38 -11.103 -3.024 0.653 1.00 0.00 C ATOM 528 CG1 VAL A 38 -11.417 -4.510 0.740 1.00 0.00 C ATOM 529 CG2 VAL A 38 -11.616 -2.290 1.882 1.00 0.00 C ATOM 0 H VAL A 38 -10.096 -0.803 0.099 1.00 0.00 H new ATOM 0 HA VAL A 38 -9.081 -3.095 1.404 1.00 0.00 H new ATOM 0 HB VAL A 38 -11.612 -2.620 -0.222 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -12.492 -4.648 0.858 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -11.086 -5.006 -0.172 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -10.899 -4.942 1.596 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -12.688 -2.459 1.986 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -11.103 -2.662 2.769 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -11.426 -1.222 1.774 1.00 0.00 H new ATOM 539 N ARG A 39 -9.415 -3.255 -1.890 1.00 0.00 N ATOM 540 CA ARG A 39 -8.995 -3.988 -3.078 1.00 0.00 C ATOM 541 C ARG A 39 -7.473 -4.044 -3.174 1.00 0.00 C ATOM 542 O ARG A 39 -6.895 -5.106 -3.403 1.00 0.00 O ATOM 543 CB ARG A 39 -9.573 -3.336 -4.336 1.00 0.00 C ATOM 544 CG ARG A 39 -11.088 -3.413 -4.421 1.00 0.00 C ATOM 545 CD ARG A 39 -11.597 -2.914 -5.764 1.00 0.00 C ATOM 546 NE ARG A 39 -11.478 -3.930 -6.806 1.00 0.00 N ATOM 547 CZ ARG A 39 -11.716 -3.696 -8.092 1.00 0.00 C ATOM 548 NH1 ARG A 39 -12.083 -2.487 -8.492 1.00 0.00 N ATOM 549 NH2 ARG A 39 -11.585 -4.673 -8.981 1.00 0.00 N ATOM 0 H ARG A 39 -9.973 -2.423 -2.083 1.00 0.00 H new ATOM 0 HA ARG A 39 -9.374 -5.007 -2.998 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -9.269 -2.290 -4.365 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -9.143 -3.817 -5.215 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -11.410 -4.443 -4.269 1.00 0.00 H new ATOM 0 HG3 ARG A 39 -11.529 -2.819 -3.620 1.00 0.00 H new ATOM 0 HD2 ARG A 39 -12.641 -2.614 -5.668 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -11.036 -2.027 -6.057 1.00 0.00 H new ATOM 0 HE ARG A 39 -11.197 -4.871 -6.531 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -12.183 -1.733 -7.812 1.00 0.00 H new ATOM 0 HH12 ARG A 39 -12.265 -2.310 -9.480 1.00 0.00 H new ATOM 0 HH21 ARG A 39 -11.301 -5.604 -8.677 1.00 0.00 H new ATOM 0 HH22 ARG A 39 -11.768 -4.492 -9.968 1.00 0.00 H new ATOM 563 N ILE A 40 -6.832 -2.893 -2.998 1.00 0.00 N ATOM 564 CA ILE A 40 -5.379 -2.812 -3.064 1.00 0.00 C ATOM 565 C ILE A 40 -4.731 -3.628 -1.950 1.00 0.00 C ATOM 566 O ILE A 40 -3.728 -4.306 -2.167 1.00 0.00 O ATOM 567 CB ILE A 40 -4.892 -1.354 -2.967 1.00 0.00 C ATOM 568 CG1 ILE A 40 -5.388 -0.546 -4.167 1.00 0.00 C ATOM 569 CG2 ILE A 40 -3.373 -1.307 -2.882 1.00 0.00 C ATOM 570 CD1 ILE A 40 -5.162 0.943 -4.029 1.00 0.00 C ATOM 0 H ILE A 40 -7.296 -2.005 -2.809 1.00 0.00 H new ATOM 0 HA ILE A 40 -5.084 -3.222 -4.030 1.00 0.00 H new ATOM 0 HB ILE A 40 -5.302 -0.910 -2.060 1.00 0.00 H new ATOM 0 HG12 ILE A 40 -4.884 -0.900 -5.066 1.00 0.00 H new ATOM 0 HG13 ILE A 40 -6.453 -0.732 -4.305 1.00 0.00 H new ATOM 0 HG21 ILE A 40 -3.044 -0.270 -2.814 1.00 0.00 H new ATOM 0 HG22 ILE A 40 -3.041 -1.852 -1.998 1.00 0.00 H new ATOM 0 HG23 ILE A 40 -2.944 -1.766 -3.773 1.00 0.00 H new ATOM 0 HD11 ILE A 40 -5.538 1.452 -4.916 1.00 0.00 H new ATOM 0 HD12 ILE A 40 -5.689 1.311 -3.149 1.00 0.00 H new ATOM 0 HD13 ILE A 40 -4.095 1.141 -3.922 1.00 0.00 H new ATOM 582 N ALA A 41 -5.313 -3.558 -0.758 1.00 0.00 N ATOM 583 CA ALA A 41 -4.795 -4.293 0.389 1.00 0.00 C ATOM 584 C ALA A 41 -4.824 -5.797 0.136 1.00 0.00 C ATOM 585 O ALA A 41 -3.841 -6.496 0.383 1.00 0.00 O ATOM 586 CB ALA A 41 -5.593 -3.952 1.639 1.00 0.00 C ATOM 0 H ALA A 41 -6.144 -3.000 -0.561 1.00 0.00 H new ATOM 0 HA ALA A 41 -3.757 -3.996 0.541 1.00 0.00 H new ATOM 0 HB1 ALA A 41 -5.195 -4.508 2.488 1.00 0.00 H new ATOM 0 HB2 ALA A 41 -5.518 -2.883 1.838 1.00 0.00 H new ATOM 0 HB3 ALA A 41 -6.639 -4.220 1.488 1.00 0.00 H new ATOM 592 N ARG A 42 -5.955 -6.288 -0.358 1.00 0.00 N ATOM 593 CA ARG A 42 -6.112 -7.709 -0.643 1.00 0.00 C ATOM 594 C ARG A 42 -5.013 -8.199 -1.581 1.00 0.00 C ATOM 595 O ARG A 42 -4.524 -9.321 -1.447 1.00 0.00 O ATOM 596 CB ARG A 42 -7.484 -7.979 -1.262 1.00 0.00 C ATOM 597 CG ARG A 42 -8.642 -7.735 -0.308 1.00 0.00 C ATOM 598 CD ARG A 42 -9.909 -7.352 -1.057 1.00 0.00 C ATOM 599 NE ARG A 42 -11.113 -7.714 -0.314 1.00 0.00 N ATOM 600 CZ ARG A 42 -12.345 -7.480 -0.752 1.00 0.00 C ATOM 601 NH1 ARG A 42 -12.534 -6.888 -1.923 1.00 0.00 N ATOM 602 NH2 ARG A 42 -13.391 -7.839 -0.019 1.00 0.00 N ATOM 0 H ARG A 42 -6.777 -5.722 -0.569 1.00 0.00 H new ATOM 0 HA ARG A 42 -6.033 -8.254 0.298 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.608 -7.345 -2.140 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -7.520 -9.012 -1.607 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -8.824 -8.633 0.282 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.378 -6.942 0.392 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -9.908 -6.278 -1.246 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -9.920 -7.846 -2.028 1.00 0.00 H new ATOM 0 HE ARG A 42 -11.002 -8.172 0.591 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -11.732 -6.611 -2.490 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -13.481 -6.709 -2.257 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -13.250 -8.295 0.882 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -14.336 -7.659 -0.357 1.00 0.00 H new ATOM 616 N GLU A 43 -4.630 -7.351 -2.531 1.00 0.00 N ATOM 617 CA GLU A 43 -3.591 -7.700 -3.492 1.00 0.00 C ATOM 618 C GLU A 43 -2.231 -7.806 -2.808 1.00 0.00 C ATOM 619 O GLU A 43 -1.435 -8.693 -3.119 1.00 0.00 O ATOM 620 CB GLU A 43 -3.530 -6.658 -4.612 1.00 0.00 C ATOM 621 CG GLU A 43 -4.436 -6.977 -5.789 1.00 0.00 C ATOM 622 CD GLU A 43 -4.152 -6.106 -6.997 1.00 0.00 C ATOM 623 OE1 GLU A 43 -3.062 -6.251 -7.589 1.00 0.00 O ATOM 624 OE2 GLU A 43 -5.018 -5.278 -7.350 1.00 0.00 O ATOM 0 H GLU A 43 -5.024 -6.418 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 43 -3.840 -8.671 -3.921 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -3.804 -5.684 -4.206 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -2.502 -6.577 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -4.313 -8.024 -6.064 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -5.476 -6.847 -5.488 1.00 0.00 H new ATOM 631 N ILE A 44 -1.972 -6.896 -1.875 1.00 0.00 N ATOM 632 CA ILE A 44 -0.709 -6.888 -1.146 1.00 0.00 C ATOM 633 C ILE A 44 -0.596 -8.101 -0.230 1.00 0.00 C ATOM 634 O ILE A 44 0.494 -8.633 -0.018 1.00 0.00 O ATOM 635 CB ILE A 44 -0.553 -5.607 -0.306 1.00 0.00 C ATOM 636 CG1 ILE A 44 -0.518 -4.376 -1.214 1.00 0.00 C ATOM 637 CG2 ILE A 44 0.707 -5.681 0.544 1.00 0.00 C ATOM 638 CD1 ILE A 44 -0.246 -3.086 -0.472 1.00 0.00 C ATOM 0 H ILE A 44 -2.619 -6.155 -1.606 1.00 0.00 H new ATOM 0 HA ILE A 44 0.086 -6.923 -1.891 1.00 0.00 H new ATOM 0 HB ILE A 44 -1.412 -5.520 0.359 1.00 0.00 H new ATOM 0 HG12 ILE A 44 0.250 -4.517 -1.975 1.00 0.00 H new ATOM 0 HG13 ILE A 44 -1.471 -4.292 -1.735 1.00 0.00 H new ATOM 0 HG21 ILE A 44 0.803 -4.768 1.132 1.00 0.00 H new ATOM 0 HG22 ILE A 44 0.644 -6.539 1.213 1.00 0.00 H new ATOM 0 HG23 ILE A 44 1.577 -5.789 -0.104 1.00 0.00 H new ATOM 0 HD11 ILE A 44 -0.235 -2.256 -1.178 1.00 0.00 H new ATOM 0 HD12 ILE A 44 -1.027 -2.921 0.270 1.00 0.00 H new ATOM 0 HD13 ILE A 44 0.721 -3.150 0.027 1.00 0.00 H new ATOM 650 N GLY A 45 -1.730 -8.535 0.312 1.00 0.00 N ATOM 651 CA GLY A 45 -1.736 -9.684 1.198 1.00 0.00 C ATOM 652 C GLY A 45 -1.750 -9.288 2.661 1.00 0.00 C ATOM 653 O GLY A 45 -0.774 -8.739 3.172 1.00 0.00 O ATOM 0 H GLY A 45 -2.644 -8.111 0.153 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.609 -10.300 0.983 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -0.857 -10.297 0.999 1.00 0.00 H new ATOM 657 N TYR A 46 -2.860 -9.564 3.337 1.00 0.00 N ATOM 658 CA TYR A 46 -2.999 -9.228 4.749 1.00 0.00 C ATOM 659 C TYR A 46 -2.072 -10.084 5.606 1.00 0.00 C ATOM 660 O TYR A 46 -1.699 -11.199 5.240 1.00 0.00 O ATOM 661 CB TYR A 46 -4.448 -9.419 5.200 1.00 0.00 C ATOM 662 CG TYR A 46 -5.407 -8.419 4.594 1.00 0.00 C ATOM 663 CD1 TYR A 46 -5.518 -7.133 5.110 1.00 0.00 C ATOM 664 CD2 TYR A 46 -6.203 -8.759 3.507 1.00 0.00 C ATOM 665 CE1 TYR A 46 -6.393 -6.216 4.561 1.00 0.00 C ATOM 666 CE2 TYR A 46 -7.080 -7.848 2.951 1.00 0.00 C ATOM 667 CZ TYR A 46 -7.171 -6.578 3.481 1.00 0.00 C ATOM 668 OH TYR A 46 -8.045 -5.668 2.931 1.00 0.00 O ATOM 0 H TYR A 46 -3.677 -10.020 2.930 1.00 0.00 H new ATOM 0 HA TYR A 46 -2.720 -8.182 4.876 1.00 0.00 H new ATOM 0 HB2 TYR A 46 -4.772 -10.426 4.937 1.00 0.00 H new ATOM 0 HB3 TYR A 46 -4.495 -9.343 6.286 1.00 0.00 H new ATOM 0 HD1 TYR A 46 -4.910 -6.846 5.955 1.00 0.00 H new ATOM 0 HD2 TYR A 46 -6.135 -9.753 3.090 1.00 0.00 H new ATOM 0 HE1 TYR A 46 -6.468 -5.221 4.975 1.00 0.00 H new ATOM 0 HE2 TYR A 46 -7.691 -8.129 2.106 1.00 0.00 H new ATOM 0 HH TYR A 46 -8.930 -6.079 2.840 1.00 0.00 H new ATOM 678 N PRO A 47 -1.689 -9.551 6.776 1.00 0.00 N ATOM 679 CA PRO A 47 -2.126 -8.224 7.221 1.00 0.00 C ATOM 680 C PRO A 47 -1.506 -7.102 6.395 1.00 0.00 C ATOM 681 O PRO A 47 -0.432 -7.265 5.815 1.00 0.00 O ATOM 682 CB PRO A 47 -1.634 -8.157 8.669 1.00 0.00 C ATOM 683 CG PRO A 47 -0.479 -9.097 8.721 1.00 0.00 C ATOM 684 CD PRO A 47 -0.801 -10.202 7.753 1.00 0.00 C ATOM 0 HA PRO A 47 -3.203 -8.092 7.115 1.00 0.00 H new ATOM 0 HB2 PRO A 47 -1.333 -7.145 8.938 1.00 0.00 H new ATOM 0 HB3 PRO A 47 -2.417 -8.453 9.367 1.00 0.00 H new ATOM 0 HG2 PRO A 47 0.447 -8.593 8.444 1.00 0.00 H new ATOM 0 HG3 PRO A 47 -0.340 -9.489 9.729 1.00 0.00 H new ATOM 0 HD2 PRO A 47 0.098 -10.596 7.279 1.00 0.00 H new ATOM 0 HD3 PRO A 47 -1.293 -11.039 8.248 1.00 0.00 H new ATOM 692 N VAL A 48 -2.189 -5.963 6.346 1.00 0.00 N ATOM 693 CA VAL A 48 -1.704 -4.813 5.592 1.00 0.00 C ATOM 694 C VAL A 48 -1.567 -3.587 6.488 1.00 0.00 C ATOM 695 O VAL A 48 -2.530 -3.158 7.122 1.00 0.00 O ATOM 696 CB VAL A 48 -2.642 -4.475 4.419 1.00 0.00 C ATOM 697 CG1 VAL A 48 -2.652 -5.605 3.400 1.00 0.00 C ATOM 698 CG2 VAL A 48 -4.048 -4.192 4.926 1.00 0.00 C ATOM 0 H VAL A 48 -3.080 -5.812 6.819 1.00 0.00 H new ATOM 0 HA VAL A 48 -0.724 -5.083 5.198 1.00 0.00 H new ATOM 0 HB VAL A 48 -2.270 -3.577 3.926 1.00 0.00 H new ATOM 0 HG11 VAL A 48 -3.321 -5.348 2.578 1.00 0.00 H new ATOM 0 HG12 VAL A 48 -1.644 -5.756 3.014 1.00 0.00 H new ATOM 0 HG13 VAL A 48 -2.999 -6.522 3.877 1.00 0.00 H new ATOM 0 HG21 VAL A 48 -4.698 -3.955 4.084 1.00 0.00 H new ATOM 0 HG22 VAL A 48 -4.432 -5.071 5.444 1.00 0.00 H new ATOM 0 HG23 VAL A 48 -4.023 -3.347 5.614 1.00 0.00 H new ATOM 708 N MET A 49 -0.363 -3.027 6.535 1.00 0.00 N ATOM 709 CA MET A 49 -0.100 -1.848 7.352 1.00 0.00 C ATOM 710 C MET A 49 -0.582 -0.582 6.651 1.00 0.00 C ATOM 711 O MET A 49 -0.272 -0.352 5.482 1.00 0.00 O ATOM 712 CB MET A 49 1.395 -1.737 7.659 1.00 0.00 C ATOM 713 CG MET A 49 1.733 -0.626 8.640 1.00 0.00 C ATOM 714 SD MET A 49 3.502 -0.285 8.720 1.00 0.00 S ATOM 715 CE MET A 49 4.087 -1.735 9.593 1.00 0.00 C ATOM 0 H MET A 49 0.446 -3.370 6.017 1.00 0.00 H new ATOM 0 HA MET A 49 -0.649 -1.955 8.288 1.00 0.00 H new ATOM 0 HB2 MET A 49 1.746 -2.687 8.063 1.00 0.00 H new ATOM 0 HB3 MET A 49 1.937 -1.567 6.729 1.00 0.00 H new ATOM 0 HG2 MET A 49 1.205 0.282 8.351 1.00 0.00 H new ATOM 0 HG3 MET A 49 1.375 -0.901 9.632 1.00 0.00 H new ATOM 0 HE1 MET A 49 5.135 -1.600 9.861 1.00 0.00 H new ATOM 0 HE2 MET A 49 3.496 -1.878 10.498 1.00 0.00 H new ATOM 0 HE3 MET A 49 3.986 -2.611 8.952 1.00 0.00 H new ATOM 725 N ILE A 50 -1.343 0.235 7.372 1.00 0.00 N ATOM 726 CA ILE A 50 -1.867 1.477 6.819 1.00 0.00 C ATOM 727 C ILE A 50 -1.333 2.686 7.580 1.00 0.00 C ATOM 728 O ILE A 50 -1.629 2.871 8.760 1.00 0.00 O ATOM 729 CB ILE A 50 -3.407 1.503 6.852 1.00 0.00 C ATOM 730 CG1 ILE A 50 -3.977 0.488 5.859 1.00 0.00 C ATOM 731 CG2 ILE A 50 -3.920 2.901 6.542 1.00 0.00 C ATOM 732 CD1 ILE A 50 -5.384 0.043 6.190 1.00 0.00 C ATOM 0 H ILE A 50 -1.610 0.059 8.340 1.00 0.00 H new ATOM 0 HA ILE A 50 -1.533 1.526 5.783 1.00 0.00 H new ATOM 0 HB ILE A 50 -3.739 1.229 7.853 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -3.968 0.925 4.860 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -3.326 -0.385 5.831 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -5.010 2.903 6.569 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -3.537 3.602 7.284 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -3.581 3.201 5.550 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -5.723 -0.676 5.444 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -5.396 -0.423 7.175 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -6.048 0.907 6.190 1.00 0.00 H new ATOM 744 N LYS A 51 -0.546 3.509 6.895 1.00 0.00 N ATOM 745 CA LYS A 51 0.028 4.703 7.504 1.00 0.00 C ATOM 746 C LYS A 51 -0.457 5.962 6.793 1.00 0.00 C ATOM 747 O LYS A 51 -1.069 5.889 5.727 1.00 0.00 O ATOM 748 CB LYS A 51 1.556 4.638 7.463 1.00 0.00 C ATOM 749 CG LYS A 51 2.118 3.286 7.867 1.00 0.00 C ATOM 750 CD LYS A 51 2.279 2.367 6.668 1.00 0.00 C ATOM 751 CE LYS A 51 3.556 2.670 5.900 1.00 0.00 C ATOM 752 NZ LYS A 51 4.707 1.867 6.399 1.00 0.00 N ATOM 0 H LYS A 51 -0.291 3.371 5.917 1.00 0.00 H new ATOM 0 HA LYS A 51 -0.299 4.744 8.543 1.00 0.00 H new ATOM 0 HB2 LYS A 51 1.895 4.876 6.455 1.00 0.00 H new ATOM 0 HB3 LYS A 51 1.962 5.403 8.125 1.00 0.00 H new ATOM 0 HG2 LYS A 51 3.084 3.423 8.353 1.00 0.00 H new ATOM 0 HG3 LYS A 51 1.457 2.820 8.597 1.00 0.00 H new ATOM 0 HD2 LYS A 51 2.292 1.330 7.003 1.00 0.00 H new ATOM 0 HD3 LYS A 51 1.420 2.477 6.006 1.00 0.00 H new ATOM 0 HE2 LYS A 51 3.401 2.463 4.841 1.00 0.00 H new ATOM 0 HE3 LYS A 51 3.789 3.731 5.987 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 5.418 2.501 6.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 4.375 1.197 7.122 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 5.132 1.341 5.609 1.00 0.00 H new ATOM 766 N ALA A 52 -0.178 7.117 7.388 1.00 0.00 N ATOM 767 CA ALA A 52 -0.583 8.393 6.810 1.00 0.00 C ATOM 768 C ALA A 52 0.473 8.916 5.842 1.00 0.00 C ATOM 769 O ALA A 52 1.589 9.244 6.245 1.00 0.00 O ATOM 770 CB ALA A 52 -0.846 9.411 7.909 1.00 0.00 C ATOM 0 H ALA A 52 0.327 7.196 8.271 1.00 0.00 H new ATOM 0 HA ALA A 52 -1.505 8.234 6.250 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -1.147 10.359 7.463 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.641 9.047 8.559 1.00 0.00 H new ATOM 0 HB3 ALA A 52 0.062 9.558 8.494 1.00 0.00 H new ATOM 776 N SER A 53 0.114 8.992 4.565 1.00 0.00 N ATOM 777 CA SER A 53 1.033 9.471 3.539 1.00 0.00 C ATOM 778 C SER A 53 1.745 10.740 3.998 1.00 0.00 C ATOM 779 O SER A 53 2.937 10.920 3.750 1.00 0.00 O ATOM 780 CB SER A 53 0.279 9.739 2.235 1.00 0.00 C ATOM 781 OG SER A 53 1.148 9.660 1.118 1.00 0.00 O ATOM 0 H SER A 53 -0.807 8.728 4.216 1.00 0.00 H new ATOM 0 HA SER A 53 1.781 8.698 3.366 1.00 0.00 H new ATOM 0 HB2 SER A 53 -0.529 9.016 2.123 1.00 0.00 H new ATOM 0 HB3 SER A 53 -0.180 10.727 2.273 1.00 0.00 H new ATOM 0 HG SER A 53 0.642 9.833 0.297 1.00 0.00 H new ATOM 787 N ALA A 54 1.005 11.616 4.670 1.00 0.00 N ATOM 788 CA ALA A 54 1.565 12.867 5.166 1.00 0.00 C ATOM 789 C ALA A 54 2.360 12.643 6.448 1.00 0.00 C ATOM 790 O ALA A 54 2.094 13.270 7.472 1.00 0.00 O ATOM 791 CB ALA A 54 0.458 13.885 5.400 1.00 0.00 C ATOM 0 H ALA A 54 0.017 11.482 4.883 1.00 0.00 H new ATOM 0 HA ALA A 54 2.247 13.256 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 54 0.891 14.814 5.770 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -0.065 14.076 4.463 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.246 13.494 6.135 1.00 0.00 H new ATOM 871 N ARG A 62 -2.535 3.071 11.720 1.00 0.00 N ATOM 872 CA ARG A 62 -3.294 1.877 12.074 1.00 0.00 C ATOM 873 C ARG A 62 -3.009 0.742 11.095 1.00 0.00 C ATOM 874 O ARG A 62 -2.584 0.977 9.963 1.00 0.00 O ATOM 875 CB ARG A 62 -4.792 2.186 12.092 1.00 0.00 C ATOM 876 CG ARG A 62 -5.602 1.222 12.943 1.00 0.00 C ATOM 877 CD ARG A 62 -6.928 1.833 13.368 1.00 0.00 C ATOM 878 NE ARG A 62 -6.816 2.560 14.630 1.00 0.00 N ATOM 879 CZ ARG A 62 -6.874 1.976 15.822 1.00 0.00 C ATOM 880 NH1 ARG A 62 -7.041 0.664 15.914 1.00 0.00 N ATOM 881 NH2 ARG A 62 -6.765 2.705 16.925 1.00 0.00 N ATOM 0 HA ARG A 62 -2.983 1.561 13.070 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -4.941 3.200 12.464 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -5.172 2.163 11.070 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -5.786 0.306 12.382 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -5.028 0.945 13.827 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -7.281 2.510 12.590 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.675 1.045 13.468 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.686 3.571 14.594 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -7.125 0.100 15.068 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.085 0.219 16.831 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -6.637 3.715 16.858 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -6.810 2.256 17.840 1.00 0.00 H new ATOM 895 N ILE A 63 -3.247 -0.488 11.538 1.00 0.00 N ATOM 896 CA ILE A 63 -3.017 -1.659 10.701 1.00 0.00 C ATOM 897 C ILE A 63 -4.292 -2.479 10.541 1.00 0.00 C ATOM 898 O ILE A 63 -5.088 -2.595 11.472 1.00 0.00 O ATOM 899 CB ILE A 63 -1.910 -2.558 11.282 1.00 0.00 C ATOM 900 CG1 ILE A 63 -0.651 -1.736 11.567 1.00 0.00 C ATOM 901 CG2 ILE A 63 -1.599 -3.700 10.327 1.00 0.00 C ATOM 902 CD1 ILE A 63 0.450 -2.529 12.235 1.00 0.00 C ATOM 0 H ILE A 63 -3.599 -0.699 12.472 1.00 0.00 H new ATOM 0 HA ILE A 63 -2.700 -1.292 9.725 1.00 0.00 H new ATOM 0 HB ILE A 63 -2.264 -2.983 12.222 1.00 0.00 H new ATOM 0 HG12 ILE A 63 -0.275 -1.326 10.630 1.00 0.00 H new ATOM 0 HG13 ILE A 63 -0.915 -0.890 12.202 1.00 0.00 H new ATOM 0 HG21 ILE A 63 -0.815 -4.326 10.752 1.00 0.00 H new ATOM 0 HG22 ILE A 63 -2.497 -4.298 10.171 1.00 0.00 H new ATOM 0 HG23 ILE A 63 -1.263 -3.295 9.373 1.00 0.00 H new ATOM 0 HD11 ILE A 63 1.311 -1.883 12.407 1.00 0.00 H new ATOM 0 HD12 ILE A 63 0.092 -2.917 13.188 1.00 0.00 H new ATOM 0 HD13 ILE A 63 0.742 -3.359 11.592 1.00 0.00 H new ATOM 914 N ALA A 64 -4.478 -3.049 9.355 1.00 0.00 N ATOM 915 CA ALA A 64 -5.654 -3.862 9.074 1.00 0.00 C ATOM 916 C ALA A 64 -5.261 -5.292 8.720 1.00 0.00 C ATOM 917 O ALA A 64 -4.192 -5.531 8.158 1.00 0.00 O ATOM 918 CB ALA A 64 -6.468 -3.243 7.947 1.00 0.00 C ATOM 0 H ALA A 64 -3.829 -2.962 8.573 1.00 0.00 H new ATOM 0 HA ALA A 64 -6.266 -3.893 9.975 1.00 0.00 H new ATOM 0 HB1 ALA A 64 -7.343 -3.861 7.748 1.00 0.00 H new ATOM 0 HB2 ALA A 64 -6.789 -2.242 8.237 1.00 0.00 H new ATOM 0 HB3 ALA A 64 -5.856 -3.181 7.047 1.00 0.00 H new ATOM 924 N TRP A 65 -6.130 -6.240 9.052 1.00 0.00 N ATOM 925 CA TRP A 65 -5.872 -7.647 8.770 1.00 0.00 C ATOM 926 C TRP A 65 -6.884 -8.196 7.770 1.00 0.00 C ATOM 927 O TRP A 65 -6.580 -9.111 7.005 1.00 0.00 O ATOM 928 CB TRP A 65 -5.918 -8.465 10.062 1.00 0.00 C ATOM 929 CG TRP A 65 -4.816 -8.126 11.019 1.00 0.00 C ATOM 930 CD1 TRP A 65 -4.697 -6.986 11.762 1.00 0.00 C ATOM 931 CD2 TRP A 65 -3.676 -8.933 11.334 1.00 0.00 C ATOM 932 NE1 TRP A 65 -3.552 -7.036 12.520 1.00 0.00 N ATOM 933 CE2 TRP A 65 -2.909 -8.221 12.276 1.00 0.00 C ATOM 934 CE3 TRP A 65 -3.230 -10.189 10.913 1.00 0.00 C ATOM 935 CZ2 TRP A 65 -1.721 -8.724 12.802 1.00 0.00 C ATOM 936 CZ3 TRP A 65 -2.052 -10.687 11.436 1.00 0.00 C ATOM 937 CH2 TRP A 65 -1.309 -9.956 12.372 1.00 0.00 C ATOM 0 H TRP A 65 -7.020 -6.060 9.517 1.00 0.00 H new ATOM 0 HA TRP A 65 -4.877 -7.727 8.333 1.00 0.00 H new ATOM 0 HB2 TRP A 65 -6.878 -8.303 10.552 1.00 0.00 H new ATOM 0 HB3 TRP A 65 -5.861 -9.525 9.815 1.00 0.00 H new ATOM 0 HD1 TRP A 65 -5.400 -6.166 11.755 1.00 0.00 H new ATOM 0 HE1 TRP A 65 -3.233 -6.309 13.160 1.00 0.00 H new ATOM 0 HE3 TRP A 65 -3.796 -10.760 10.192 1.00 0.00 H new ATOM 0 HZ2 TRP A 65 -1.146 -8.162 13.523 1.00 0.00 H new ATOM 0 HZ3 TRP A 65 -1.698 -11.656 11.118 1.00 0.00 H new ATOM 0 HH2 TRP A 65 -0.392 -10.373 12.762 1.00 0.00 H new ATOM 948 N ASP A 66 -8.086 -7.631 7.781 1.00 0.00 N ATOM 949 CA ASP A 66 -9.143 -8.064 6.874 1.00 0.00 C ATOM 950 C ASP A 66 -9.852 -6.864 6.254 1.00 0.00 C ATOM 951 O ASP A 66 -9.678 -5.729 6.699 1.00 0.00 O ATOM 952 CB ASP A 66 -10.153 -8.942 7.614 1.00 0.00 C ATOM 953 CG ASP A 66 -9.485 -9.926 8.554 1.00 0.00 C ATOM 954 OD1 ASP A 66 -8.550 -10.628 8.113 1.00 0.00 O ATOM 955 OD2 ASP A 66 -9.896 -9.995 9.731 1.00 0.00 O ATOM 0 H ASP A 66 -8.353 -6.872 8.408 1.00 0.00 H new ATOM 0 HA ASP A 66 -8.685 -8.646 6.074 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -10.835 -8.308 8.181 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -10.755 -9.489 6.888 1.00 0.00 H new ATOM 960 N ASP A 67 -10.650 -7.122 5.224 1.00 0.00 N ATOM 961 CA ASP A 67 -11.385 -6.063 4.542 1.00 0.00 C ATOM 962 C ASP A 67 -12.085 -5.154 5.547 1.00 0.00 C ATOM 963 O ASP A 67 -11.874 -3.942 5.552 1.00 0.00 O ATOM 964 CB ASP A 67 -12.410 -6.664 3.578 1.00 0.00 C ATOM 965 CG ASP A 67 -13.178 -7.816 4.195 1.00 0.00 C ATOM 966 OD1 ASP A 67 -14.168 -7.554 4.910 1.00 0.00 O ATOM 967 OD2 ASP A 67 -12.789 -8.980 3.963 1.00 0.00 O ATOM 0 H ASP A 67 -10.805 -8.055 4.843 1.00 0.00 H new ATOM 0 HA ASP A 67 -10.671 -5.466 3.975 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -13.111 -5.889 3.267 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -11.900 -7.011 2.679 1.00 0.00 H new ATOM 972 N GLU A 68 -12.919 -5.748 6.395 1.00 0.00 N ATOM 973 CA GLU A 68 -13.651 -4.990 7.403 1.00 0.00 C ATOM 974 C GLU A 68 -12.715 -4.061 8.171 1.00 0.00 C ATOM 975 O GLU A 68 -13.083 -2.939 8.514 1.00 0.00 O ATOM 976 CB GLU A 68 -14.356 -5.939 8.374 1.00 0.00 C ATOM 977 CG GLU A 68 -13.481 -7.089 8.845 1.00 0.00 C ATOM 978 CD GLU A 68 -13.584 -8.306 7.947 1.00 0.00 C ATOM 979 OE1 GLU A 68 -14.489 -9.137 8.176 1.00 0.00 O ATOM 980 OE2 GLU A 68 -12.761 -8.430 7.016 1.00 0.00 O ATOM 0 H GLU A 68 -13.104 -6.751 6.404 1.00 0.00 H new ATOM 0 HA GLU A 68 -14.399 -4.383 6.893 1.00 0.00 H new ATOM 0 HB2 GLU A 68 -14.694 -5.372 9.241 1.00 0.00 H new ATOM 0 HB3 GLU A 68 -15.245 -6.344 7.891 1.00 0.00 H new ATOM 0 HG2 GLU A 68 -12.443 -6.758 8.885 1.00 0.00 H new ATOM 0 HG3 GLU A 68 -13.766 -7.366 9.860 1.00 0.00 H new ATOM 987 N GLU A 69 -11.504 -4.540 8.438 1.00 0.00 N ATOM 988 CA GLU A 69 -10.516 -3.753 9.167 1.00 0.00 C ATOM 989 C GLU A 69 -9.952 -2.640 8.289 1.00 0.00 C ATOM 990 O GLU A 69 -9.785 -1.504 8.735 1.00 0.00 O ATOM 991 CB GLU A 69 -9.381 -4.651 9.664 1.00 0.00 C ATOM 992 CG GLU A 69 -9.820 -5.664 10.708 1.00 0.00 C ATOM 993 CD GLU A 69 -8.649 -6.284 11.447 1.00 0.00 C ATOM 994 OE1 GLU A 69 -7.575 -5.650 11.496 1.00 0.00 O ATOM 995 OE2 GLU A 69 -8.809 -7.404 11.976 1.00 0.00 O ATOM 0 H GLU A 69 -11.184 -5.468 8.161 1.00 0.00 H new ATOM 0 HA GLU A 69 -11.012 -3.299 10.025 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -8.949 -5.181 8.815 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -8.592 -4.027 10.084 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -10.481 -5.178 11.425 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -10.398 -6.452 10.224 1.00 0.00 H new ATOM 1002 N THR A 70 -9.658 -2.974 7.036 1.00 0.00 N ATOM 1003 CA THR A 70 -9.110 -2.005 6.095 1.00 0.00 C ATOM 1004 C THR A 70 -9.945 -0.730 6.071 1.00 0.00 C ATOM 1005 O THR A 70 -9.419 0.371 6.241 1.00 0.00 O ATOM 1006 CB THR A 70 -9.039 -2.585 4.670 1.00 0.00 C ATOM 1007 OG1 THR A 70 -8.281 -3.800 4.672 1.00 0.00 O ATOM 1008 CG2 THR A 70 -8.405 -1.588 3.711 1.00 0.00 C ATOM 0 H THR A 70 -9.790 -3.909 6.650 1.00 0.00 H new ATOM 0 HA THR A 70 -8.101 -1.770 6.435 1.00 0.00 H new ATOM 0 HB THR A 70 -10.055 -2.792 4.335 1.00 0.00 H new ATOM 0 HG1 THR A 70 -8.425 -4.277 3.828 1.00 0.00 H new ATOM 0 HG21 THR A 70 -8.366 -2.020 2.711 1.00 0.00 H new ATOM 0 HG22 THR A 70 -9.000 -0.675 3.689 1.00 0.00 H new ATOM 0 HG23 THR A 70 -7.394 -1.354 4.045 1.00 0.00 H new ATOM 1016 N ARG A 71 -11.248 -0.884 5.861 1.00 0.00 N ATOM 1017 CA ARG A 71 -12.155 0.256 5.814 1.00 0.00 C ATOM 1018 C ARG A 71 -12.133 1.022 7.134 1.00 0.00 C ATOM 1019 O ARG A 71 -11.831 2.215 7.166 1.00 0.00 O ATOM 1020 CB ARG A 71 -13.579 -0.210 5.506 1.00 0.00 C ATOM 1021 CG ARG A 71 -13.692 -1.012 4.220 1.00 0.00 C ATOM 1022 CD ARG A 71 -15.138 -1.367 3.911 1.00 0.00 C ATOM 1023 NE ARG A 71 -15.259 -2.147 2.682 1.00 0.00 N ATOM 1024 CZ ARG A 71 -16.419 -2.567 2.189 1.00 0.00 C ATOM 1025 NH1 ARG A 71 -17.551 -2.283 2.817 1.00 0.00 N ATOM 1026 NH2 ARG A 71 -16.448 -3.272 1.065 1.00 0.00 N ATOM 0 H ARG A 71 -11.699 -1.788 5.721 1.00 0.00 H new ATOM 0 HA ARG A 71 -11.819 0.923 5.020 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.941 -0.817 6.336 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.231 0.661 5.440 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.272 -0.438 3.394 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -13.102 -1.925 4.306 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -15.558 -1.933 4.742 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -15.724 -0.453 3.819 1.00 0.00 H new ATOM 0 HE ARG A 71 -14.406 -2.382 2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -17.533 -1.741 3.681 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -18.440 -2.607 2.437 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -15.579 -3.492 0.578 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -17.339 -3.594 0.688 1.00 0.00 H new ATOM 1040 N ASP A 72 -12.457 0.328 8.220 1.00 0.00 N ATOM 1041 CA ASP A 72 -12.474 0.942 9.543 1.00 0.00 C ATOM 1042 C ASP A 72 -11.171 1.687 9.813 1.00 0.00 C ATOM 1043 O ASP A 72 -11.168 2.745 10.440 1.00 0.00 O ATOM 1044 CB ASP A 72 -12.702 -0.121 10.619 1.00 0.00 C ATOM 1045 CG ASP A 72 -14.173 -0.391 10.864 1.00 0.00 C ATOM 1046 OD1 ASP A 72 -14.943 0.585 10.991 1.00 0.00 O ATOM 1047 OD2 ASP A 72 -14.556 -1.578 10.929 1.00 0.00 O ATOM 0 H ASP A 72 -12.711 -0.660 8.210 1.00 0.00 H new ATOM 0 HA ASP A 72 -13.294 1.659 9.573 1.00 0.00 H new ATOM 0 HB2 ASP A 72 -12.211 -1.047 10.321 1.00 0.00 H new ATOM 0 HB3 ASP A 72 -12.235 0.202 11.549 1.00 0.00 H new ATOM 1052 N GLY A 73 -10.064 1.125 9.336 1.00 0.00 N ATOM 1053 CA GLY A 73 -8.769 1.749 9.538 1.00 0.00 C ATOM 1054 C GLY A 73 -8.534 2.914 8.596 1.00 0.00 C ATOM 1055 O GLY A 73 -7.921 3.912 8.973 1.00 0.00 O ATOM 0 H GLY A 73 -10.041 0.249 8.814 1.00 0.00 H new ATOM 0 HA2 GLY A 73 -8.694 2.098 10.568 1.00 0.00 H new ATOM 0 HA3 GLY A 73 -7.985 1.006 9.395 1.00 0.00 H new ATOM 1059 N PHE A 74 -9.021 2.786 7.366 1.00 0.00 N ATOM 1060 CA PHE A 74 -8.858 3.835 6.367 1.00 0.00 C ATOM 1061 C PHE A 74 -9.639 5.086 6.759 1.00 0.00 C ATOM 1062 O PHE A 74 -9.165 6.208 6.580 1.00 0.00 O ATOM 1063 CB PHE A 74 -9.322 3.339 4.996 1.00 0.00 C ATOM 1064 CG PHE A 74 -9.357 4.416 3.949 1.00 0.00 C ATOM 1065 CD1 PHE A 74 -10.448 5.263 3.844 1.00 0.00 C ATOM 1066 CD2 PHE A 74 -8.299 4.580 3.070 1.00 0.00 C ATOM 1067 CE1 PHE A 74 -10.483 6.255 2.882 1.00 0.00 C ATOM 1068 CE2 PHE A 74 -8.328 5.571 2.107 1.00 0.00 C ATOM 1069 CZ PHE A 74 -9.422 6.408 2.012 1.00 0.00 C ATOM 0 H PHE A 74 -9.532 1.966 7.038 1.00 0.00 H new ATOM 0 HA PHE A 74 -7.800 4.091 6.314 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -8.658 2.541 4.663 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -10.317 2.905 5.093 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -11.281 5.147 4.522 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -7.442 3.926 3.138 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -11.339 6.909 2.811 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -7.496 5.691 1.429 1.00 0.00 H new ATOM 0 HZ PHE A 74 -9.448 7.181 1.258 1.00 0.00 H new ATOM 1079 N ARG A 75 -10.839 4.883 7.293 1.00 0.00 N ATOM 1080 CA ARG A 75 -11.687 5.994 7.709 1.00 0.00 C ATOM 1081 C ARG A 75 -11.025 6.795 8.827 1.00 0.00 C ATOM 1082 O ARG A 75 -10.942 8.022 8.760 1.00 0.00 O ATOM 1083 CB ARG A 75 -13.049 5.476 8.176 1.00 0.00 C ATOM 1084 CG ARG A 75 -13.836 4.766 7.088 1.00 0.00 C ATOM 1085 CD ARG A 75 -15.267 4.492 7.524 1.00 0.00 C ATOM 1086 NE ARG A 75 -16.080 5.705 7.528 1.00 0.00 N ATOM 1087 CZ ARG A 75 -16.526 6.295 6.424 1.00 0.00 C ATOM 1088 NH1 ARG A 75 -16.239 5.785 5.234 1.00 0.00 N ATOM 1089 NH2 ARG A 75 -17.261 7.396 6.510 1.00 0.00 N ATOM 0 H ARG A 75 -11.246 3.960 7.448 1.00 0.00 H new ATOM 0 HA ARG A 75 -11.830 6.651 6.851 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -12.901 4.791 9.011 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -13.638 6.313 8.551 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -13.840 5.375 6.184 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -13.345 3.826 6.837 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -15.715 3.757 6.855 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -15.264 4.054 8.522 1.00 0.00 H new ATOM 0 HE ARG A 75 -16.319 6.122 8.428 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -15.675 4.938 5.165 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -16.582 6.240 4.388 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -17.484 7.790 7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -17.603 7.848 5.662 1.00 0.00 H new ATOM 1103 N LEU A 76 -10.556 6.093 9.853 1.00 0.00 N ATOM 1104 CA LEU A 76 -9.901 6.739 10.985 1.00 0.00 C ATOM 1105 C LEU A 76 -8.526 7.268 10.591 1.00 0.00 C ATOM 1106 O LEU A 76 -8.276 8.472 10.642 1.00 0.00 O ATOM 1107 CB LEU A 76 -9.767 5.756 12.150 1.00 0.00 C ATOM 1108 CG LEU A 76 -11.021 4.954 12.500 1.00 0.00 C ATOM 1109 CD1 LEU A 76 -10.652 3.692 13.263 1.00 0.00 C ATOM 1110 CD2 LEU A 76 -11.989 5.805 13.309 1.00 0.00 C ATOM 0 H LEU A 76 -10.617 5.077 9.924 1.00 0.00 H new ATOM 0 HA LEU A 76 -10.518 7.582 11.297 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -8.965 5.055 11.917 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -9.457 6.312 13.035 1.00 0.00 H new ATOM 0 HG LEU A 76 -11.513 4.662 11.572 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -11.557 3.134 13.503 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -9.997 3.074 12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -10.137 3.962 14.185 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -12.876 5.218 13.549 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -11.506 6.128 14.232 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -12.279 6.679 12.726 1.00 0.00 H new ATOM 1122 N SER A 77 -7.640 6.361 10.195 1.00 0.00 N ATOM 1123 CA SER A 77 -6.289 6.736 9.792 1.00 0.00 C ATOM 1124 C SER A 77 -6.318 7.927 8.839 1.00 0.00 C ATOM 1125 O SER A 77 -5.328 8.644 8.695 1.00 0.00 O ATOM 1126 CB SER A 77 -5.585 5.552 9.126 1.00 0.00 C ATOM 1127 OG SER A 77 -5.667 4.390 9.934 1.00 0.00 O ATOM 0 H SER A 77 -7.833 5.361 10.144 1.00 0.00 H new ATOM 0 HA SER A 77 -5.735 7.022 10.687 1.00 0.00 H new ATOM 0 HB2 SER A 77 -6.037 5.356 8.154 1.00 0.00 H new ATOM 0 HB3 SER A 77 -4.539 5.801 8.946 1.00 0.00 H new ATOM 0 HG SER A 77 -6.431 3.847 9.649 1.00 0.00 H new ATOM 1133 N SER A 78 -7.460 8.130 8.190 1.00 0.00 N ATOM 1134 CA SER A 78 -7.618 9.232 7.248 1.00 0.00 C ATOM 1135 C SER A 78 -7.805 10.555 7.984 1.00 0.00 C ATOM 1136 O SER A 78 -7.000 11.474 7.843 1.00 0.00 O ATOM 1137 CB SER A 78 -8.812 8.975 6.326 1.00 0.00 C ATOM 1138 OG SER A 78 -8.417 8.264 5.166 1.00 0.00 O ATOM 0 H SER A 78 -8.289 7.546 8.299 1.00 0.00 H new ATOM 0 HA SER A 78 -6.711 9.296 6.647 1.00 0.00 H new ATOM 0 HB2 SER A 78 -9.574 8.409 6.862 1.00 0.00 H new ATOM 0 HB3 SER A 78 -9.264 9.924 6.038 1.00 0.00 H new ATOM 0 HG SER A 78 -8.588 7.308 5.294 1.00 0.00 H new ATOM 1144 N GLN A 79 -8.873 10.641 8.770 1.00 0.00 N ATOM 1145 CA GLN A 79 -9.167 11.852 9.529 1.00 0.00 C ATOM 1146 C GLN A 79 -7.944 12.311 10.316 1.00 0.00 C ATOM 1147 O GLN A 79 -7.758 13.505 10.550 1.00 0.00 O ATOM 1148 CB GLN A 79 -10.339 11.610 10.481 1.00 0.00 C ATOM 1149 CG GLN A 79 -9.944 10.899 11.765 1.00 0.00 C ATOM 1150 CD GLN A 79 -11.037 10.938 12.814 1.00 0.00 C ATOM 1151 OE1 GLN A 79 -10.920 11.632 13.825 1.00 0.00 O ATOM 1152 NE2 GLN A 79 -12.110 10.190 12.580 1.00 0.00 N ATOM 0 H GLN A 79 -9.549 9.888 8.898 1.00 0.00 H new ATOM 0 HA GLN A 79 -9.438 12.637 8.823 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -10.796 12.567 10.732 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -11.097 11.019 9.967 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -9.698 9.861 11.540 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -9.042 11.360 12.168 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -12.166 9.630 11.729 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -12.878 10.176 13.251 1.00 0.00 H new ATOM 1161 N GLU A 80 -7.113 11.355 10.721 1.00 0.00 N ATOM 1162 CA GLU A 80 -5.909 11.663 11.483 1.00 0.00 C ATOM 1163 C GLU A 80 -4.924 12.470 10.641 1.00 0.00 C ATOM 1164 O GLU A 80 -4.576 13.599 10.987 1.00 0.00 O ATOM 1165 CB GLU A 80 -5.243 10.374 11.970 1.00 0.00 C ATOM 1166 CG GLU A 80 -5.891 9.787 13.213 1.00 0.00 C ATOM 1167 CD GLU A 80 -5.503 8.340 13.444 1.00 0.00 C ATOM 1168 OE1 GLU A 80 -4.289 8.057 13.522 1.00 0.00 O ATOM 1169 OE2 GLU A 80 -6.412 7.490 13.548 1.00 0.00 O ATOM 0 H GLU A 80 -7.252 10.362 10.534 1.00 0.00 H new ATOM 0 HA GLU A 80 -6.199 12.262 12.346 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -5.274 9.634 11.170 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -4.192 10.574 12.178 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -5.604 10.379 14.082 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -6.975 9.859 13.122 1.00 0.00 H new ATOM 1176 N ALA A 81 -4.480 11.882 9.536 1.00 0.00 N ATOM 1177 CA ALA A 81 -3.537 12.546 8.644 1.00 0.00 C ATOM 1178 C ALA A 81 -4.095 13.875 8.146 1.00 0.00 C ATOM 1179 O ALA A 81 -3.341 14.792 7.818 1.00 0.00 O ATOM 1180 CB ALA A 81 -3.196 11.642 7.469 1.00 0.00 C ATOM 0 H ALA A 81 -4.758 10.947 9.237 1.00 0.00 H new ATOM 0 HA ALA A 81 -2.626 12.752 9.207 1.00 0.00 H new ATOM 0 HB1 ALA A 81 -2.491 12.151 6.811 1.00 0.00 H new ATOM 0 HB2 ALA A 81 -2.748 10.720 7.838 1.00 0.00 H new ATOM 0 HB3 ALA A 81 -4.105 11.407 6.915 1.00 0.00 H new ATOM 1186 N ALA A 82 -5.419 13.973 8.092 1.00 0.00 N ATOM 1187 CA ALA A 82 -6.077 15.191 7.636 1.00 0.00 C ATOM 1188 C ALA A 82 -5.774 16.361 8.566 1.00 0.00 C ATOM 1189 O ALA A 82 -5.533 17.480 8.113 1.00 0.00 O ATOM 1190 CB ALA A 82 -7.580 14.972 7.533 1.00 0.00 C ATOM 0 H ALA A 82 -6.057 13.223 8.358 1.00 0.00 H new ATOM 0 HA ALA A 82 -5.687 15.436 6.648 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -8.059 15.890 7.191 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -7.783 14.171 6.823 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -7.976 14.699 8.511 1.00 0.00 H new ATOM 1196 N SER A 83 -5.788 16.094 9.868 1.00 0.00 N ATOM 1197 CA SER A 83 -5.518 17.127 10.862 1.00 0.00 C ATOM 1198 C SER A 83 -4.103 16.992 11.415 1.00 0.00 C ATOM 1199 O SER A 83 -3.310 17.932 11.357 1.00 0.00 O ATOM 1200 CB SER A 83 -6.534 17.043 12.004 1.00 0.00 C ATOM 1201 OG SER A 83 -6.126 17.832 13.108 1.00 0.00 O ATOM 0 H SER A 83 -5.983 15.172 10.259 1.00 0.00 H new ATOM 0 HA SER A 83 -5.608 18.098 10.375 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.509 17.380 11.653 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.649 16.005 12.317 1.00 0.00 H new ATOM 0 HG SER A 83 -6.792 17.763 13.823 1.00 0.00 H new ATOM 1207 N SER A 84 -3.793 15.816 11.952 1.00 0.00 N ATOM 1208 CA SER A 84 -2.475 15.558 12.519 1.00 0.00 C ATOM 1209 C SER A 84 -1.391 16.282 11.726 1.00 0.00 C ATOM 1210 O SER A 84 -0.529 16.950 12.298 1.00 0.00 O ATOM 1211 CB SER A 84 -2.190 14.055 12.540 1.00 0.00 C ATOM 1212 OG SER A 84 -0.902 13.787 13.064 1.00 0.00 O ATOM 0 H SER A 84 -4.437 15.027 12.006 1.00 0.00 H new ATOM 0 HA SER A 84 -2.467 15.936 13.541 1.00 0.00 H new ATOM 0 HB2 SER A 84 -2.944 13.547 13.142 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.266 13.653 11.530 1.00 0.00 H new ATOM 0 HG SER A 84 -0.315 13.473 12.345 1.00 0.00 H new ATOM 1218 N PHE A 85 -1.441 16.143 10.406 1.00 0.00 N ATOM 1219 CA PHE A 85 -0.464 16.782 9.532 1.00 0.00 C ATOM 1220 C PHE A 85 -1.133 17.817 8.632 1.00 0.00 C ATOM 1221 O PHE A 85 -0.688 18.961 8.545 1.00 0.00 O ATOM 1222 CB PHE A 85 0.251 15.733 8.678 1.00 0.00 C ATOM 1223 CG PHE A 85 0.983 14.700 9.486 1.00 0.00 C ATOM 1224 CD1 PHE A 85 2.282 14.926 9.911 1.00 0.00 C ATOM 1225 CD2 PHE A 85 0.372 13.502 9.821 1.00 0.00 C ATOM 1226 CE1 PHE A 85 2.959 13.978 10.655 1.00 0.00 C ATOM 1227 CE2 PHE A 85 1.043 12.550 10.565 1.00 0.00 C ATOM 1228 CZ PHE A 85 2.338 12.788 10.981 1.00 0.00 C ATOM 0 H PHE A 85 -2.148 15.593 9.917 1.00 0.00 H new ATOM 0 HA PHE A 85 0.268 17.291 10.159 1.00 0.00 H new ATOM 0 HB2 PHE A 85 -0.480 15.234 8.042 1.00 0.00 H new ATOM 0 HB3 PHE A 85 0.958 16.234 8.018 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.772 15.855 9.658 1.00 0.00 H new ATOM 0 HD2 PHE A 85 -0.640 13.310 9.497 1.00 0.00 H new ATOM 0 HE1 PHE A 85 3.971 14.167 10.981 1.00 0.00 H new ATOM 0 HE2 PHE A 85 0.555 11.621 10.821 1.00 0.00 H new ATOM 0 HZ PHE A 85 2.865 12.044 11.561 1.00 0.00 H new ATOM 1238 N GLY A 86 -2.206 17.406 7.963 1.00 0.00 N ATOM 1239 CA GLY A 86 -2.919 18.308 7.078 1.00 0.00 C ATOM 1240 C GLY A 86 -3.416 17.617 5.824 1.00 0.00 C ATOM 1241 O GLY A 86 -4.323 18.110 5.153 1.00 0.00 O ATOM 0 H GLY A 86 -2.594 16.464 8.018 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -3.766 18.741 7.611 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -2.263 19.133 6.799 1.00 0.00 H new ATOM 1245 N ASP A 87 -2.820 16.473 5.505 1.00 0.00 N ATOM 1246 CA ASP A 87 -3.207 15.713 4.322 1.00 0.00 C ATOM 1247 C ASP A 87 -3.831 14.377 4.714 1.00 0.00 C ATOM 1248 O ASP A 87 -3.338 13.689 5.608 1.00 0.00 O ATOM 1249 CB ASP A 87 -1.993 15.478 3.421 1.00 0.00 C ATOM 1250 CG ASP A 87 -1.657 16.691 2.576 1.00 0.00 C ATOM 1251 OD1 ASP A 87 -1.515 17.793 3.148 1.00 0.00 O ATOM 1252 OD2 ASP A 87 -1.534 16.539 1.343 1.00 0.00 O ATOM 0 H ASP A 87 -2.067 16.052 6.049 1.00 0.00 H new ATOM 0 HA ASP A 87 -3.950 16.294 3.774 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -1.132 15.218 4.037 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -2.187 14.627 2.769 1.00 0.00 H new ATOM 1257 N ASP A 88 -4.918 14.017 4.040 1.00 0.00 N ATOM 1258 CA ASP A 88 -5.609 12.764 4.318 1.00 0.00 C ATOM 1259 C ASP A 88 -4.959 11.606 3.567 1.00 0.00 C ATOM 1260 O ASP A 88 -5.257 10.440 3.826 1.00 0.00 O ATOM 1261 CB ASP A 88 -7.085 12.874 3.931 1.00 0.00 C ATOM 1262 CG ASP A 88 -7.284 12.983 2.432 1.00 0.00 C ATOM 1263 OD1 ASP A 88 -7.214 11.940 1.748 1.00 0.00 O ATOM 1264 OD2 ASP A 88 -7.508 14.110 1.943 1.00 0.00 O ATOM 0 H ASP A 88 -5.339 14.575 3.298 1.00 0.00 H new ATOM 0 HA ASP A 88 -5.535 12.567 5.387 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -7.621 12.001 4.303 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -7.521 13.747 4.417 1.00 0.00 H new ATOM 1269 N ARG A 89 -4.071 11.937 2.635 1.00 0.00 N ATOM 1270 CA ARG A 89 -3.380 10.925 1.845 1.00 0.00 C ATOM 1271 C ARG A 89 -2.916 9.770 2.727 1.00 0.00 C ATOM 1272 O ARG A 89 -2.088 9.950 3.621 1.00 0.00 O ATOM 1273 CB ARG A 89 -2.181 11.542 1.122 1.00 0.00 C ATOM 1274 CG ARG A 89 -2.569 12.498 0.006 1.00 0.00 C ATOM 1275 CD ARG A 89 -1.446 12.658 -1.006 1.00 0.00 C ATOM 1276 NE ARG A 89 -1.946 13.039 -2.324 1.00 0.00 N ATOM 1277 CZ ARG A 89 -2.198 14.294 -2.680 1.00 0.00 C ATOM 1278 NH1 ARG A 89 -1.997 15.283 -1.820 1.00 0.00 N ATOM 1279 NH2 ARG A 89 -2.652 14.561 -3.898 1.00 0.00 N ATOM 0 H ARG A 89 -3.813 12.898 2.409 1.00 0.00 H new ATOM 0 HA ARG A 89 -4.081 10.537 1.106 1.00 0.00 H new ATOM 0 HB2 ARG A 89 -1.565 12.074 1.847 1.00 0.00 H new ATOM 0 HB3 ARG A 89 -1.567 10.743 0.707 1.00 0.00 H new ATOM 0 HG2 ARG A 89 -3.463 12.129 -0.496 1.00 0.00 H new ATOM 0 HG3 ARG A 89 -2.820 13.471 0.429 1.00 0.00 H new ATOM 0 HD2 ARG A 89 -0.744 13.414 -0.652 1.00 0.00 H new ATOM 0 HD3 ARG A 89 -0.893 11.722 -1.085 1.00 0.00 H new ATOM 0 HE ARG A 89 -2.111 12.301 -3.009 1.00 0.00 H new ATOM 0 HH11 ARG A 89 -1.648 15.081 -0.883 1.00 0.00 H new ATOM 0 HH12 ARG A 89 -2.191 16.246 -2.095 1.00 0.00 H new ATOM 0 HH21 ARG A 89 -2.808 13.802 -4.562 1.00 0.00 H new ATOM 0 HH22 ARG A 89 -2.845 15.525 -4.170 1.00 0.00 H new ATOM 1293 N LEU A 90 -3.455 8.583 2.470 1.00 0.00 N ATOM 1294 CA LEU A 90 -3.097 7.397 3.241 1.00 0.00 C ATOM 1295 C LEU A 90 -2.086 6.541 2.485 1.00 0.00 C ATOM 1296 O LEU A 90 -1.762 6.819 1.329 1.00 0.00 O ATOM 1297 CB LEU A 90 -4.346 6.573 3.555 1.00 0.00 C ATOM 1298 CG LEU A 90 -5.094 6.949 4.835 1.00 0.00 C ATOM 1299 CD1 LEU A 90 -6.246 5.987 5.083 1.00 0.00 C ATOM 1300 CD2 LEU A 90 -4.144 6.964 6.023 1.00 0.00 C ATOM 0 H LEU A 90 -4.141 8.416 1.734 1.00 0.00 H new ATOM 0 HA LEU A 90 -2.641 7.725 4.175 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -5.036 6.661 2.716 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -4.058 5.524 3.621 1.00 0.00 H new ATOM 0 HG LEU A 90 -5.505 7.951 4.711 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -6.766 6.271 5.998 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -6.940 6.027 4.244 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -5.858 4.974 5.185 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -4.694 7.234 6.925 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -3.703 5.975 6.149 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -3.354 7.694 5.848 1.00 0.00 H new ATOM 1312 N LEU A 91 -1.592 5.498 3.143 1.00 0.00 N ATOM 1313 CA LEU A 91 -0.619 4.599 2.532 1.00 0.00 C ATOM 1314 C LEU A 91 -0.899 3.150 2.918 1.00 0.00 C ATOM 1315 O LEU A 91 -1.605 2.882 3.891 1.00 0.00 O ATOM 1316 CB LEU A 91 0.799 4.986 2.955 1.00 0.00 C ATOM 1317 CG LEU A 91 1.345 6.285 2.361 1.00 0.00 C ATOM 1318 CD1 LEU A 91 2.774 6.524 2.823 1.00 0.00 C ATOM 1319 CD2 LEU A 91 1.273 6.249 0.842 1.00 0.00 C ATOM 0 H LEU A 91 -1.849 5.254 4.099 1.00 0.00 H new ATOM 0 HA LEU A 91 -0.706 4.691 1.449 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.823 5.068 4.042 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.473 4.174 2.682 1.00 0.00 H new ATOM 0 HG LEU A 91 0.728 7.111 2.714 1.00 0.00 H new ATOM 0 HD11 LEU A 91 3.146 7.453 2.390 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.798 6.595 3.910 1.00 0.00 H new ATOM 0 HD13 LEU A 91 3.404 5.695 2.500 1.00 0.00 H new ATOM 0 HD21 LEU A 91 1.666 7.182 0.437 1.00 0.00 H new ATOM 0 HD22 LEU A 91 1.866 5.413 0.469 1.00 0.00 H new ATOM 0 HD23 LEU A 91 0.236 6.126 0.530 1.00 0.00 H new ATOM 1331 N ILE A 92 -0.340 2.220 2.151 1.00 0.00 N ATOM 1332 CA ILE A 92 -0.527 0.799 2.416 1.00 0.00 C ATOM 1333 C ILE A 92 0.741 0.011 2.107 1.00 0.00 C ATOM 1334 O ILE A 92 1.284 0.097 1.006 1.00 0.00 O ATOM 1335 CB ILE A 92 -1.692 0.221 1.589 1.00 0.00 C ATOM 1336 CG1 ILE A 92 -2.966 1.034 1.826 1.00 0.00 C ATOM 1337 CG2 ILE A 92 -1.916 -1.242 1.942 1.00 0.00 C ATOM 1338 CD1 ILE A 92 -4.173 0.491 1.093 1.00 0.00 C ATOM 0 H ILE A 92 0.246 2.425 1.342 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.762 0.703 3.476 1.00 0.00 H new ATOM 0 HB ILE A 92 -1.435 0.284 0.532 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -3.180 1.057 2.895 1.00 0.00 H new ATOM 0 HG13 ILE A 92 -2.794 2.064 1.513 1.00 0.00 H new ATOM 0 HG21 ILE A 92 -2.742 -1.637 1.350 1.00 0.00 H new ATOM 0 HG22 ILE A 92 -1.011 -1.811 1.727 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -2.156 -1.328 3.002 1.00 0.00 H new ATOM 0 HD11 ILE A 92 -5.040 1.116 1.307 1.00 0.00 H new ATOM 0 HD12 ILE A 92 -3.979 0.494 0.020 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -4.371 -0.529 1.423 1.00 0.00 H new ATOM 1350 N GLU A 93 1.206 -0.759 3.085 1.00 0.00 N ATOM 1351 CA GLU A 93 2.410 -1.564 2.917 1.00 0.00 C ATOM 1352 C GLU A 93 2.232 -2.947 3.537 1.00 0.00 C ATOM 1353 O GLU A 93 1.606 -3.093 4.587 1.00 0.00 O ATOM 1354 CB GLU A 93 3.613 -0.861 3.549 1.00 0.00 C ATOM 1355 CG GLU A 93 4.001 0.430 2.849 1.00 0.00 C ATOM 1356 CD GLU A 93 5.465 0.777 3.034 1.00 0.00 C ATOM 1357 OE1 GLU A 93 6.309 -0.139 2.934 1.00 0.00 O ATOM 1358 OE2 GLU A 93 5.769 1.963 3.279 1.00 0.00 O ATOM 0 H GLU A 93 0.767 -0.842 4.002 1.00 0.00 H new ATOM 0 HA GLU A 93 2.589 -1.684 1.848 1.00 0.00 H new ATOM 0 HB2 GLU A 93 3.389 -0.645 4.594 1.00 0.00 H new ATOM 0 HB3 GLU A 93 4.466 -1.540 3.540 1.00 0.00 H new ATOM 0 HG2 GLU A 93 3.784 0.341 1.784 1.00 0.00 H new ATOM 0 HG3 GLU A 93 3.387 1.245 3.232 1.00 0.00 H new ATOM 1365 N LYS A 94 2.785 -3.960 2.879 1.00 0.00 N ATOM 1366 CA LYS A 94 2.689 -5.332 3.363 1.00 0.00 C ATOM 1367 C LYS A 94 3.241 -5.448 4.781 1.00 0.00 C ATOM 1368 O LYS A 94 4.349 -4.994 5.065 1.00 0.00 O ATOM 1369 CB LYS A 94 3.448 -6.278 2.430 1.00 0.00 C ATOM 1370 CG LYS A 94 3.630 -7.675 2.998 1.00 0.00 C ATOM 1371 CD LYS A 94 2.364 -8.503 2.861 1.00 0.00 C ATOM 1372 CE LYS A 94 2.673 -9.991 2.805 1.00 0.00 C ATOM 1373 NZ LYS A 94 1.530 -10.814 3.288 1.00 0.00 N ATOM 0 H LYS A 94 3.305 -3.856 2.008 1.00 0.00 H new ATOM 0 HA LYS A 94 1.636 -5.613 3.377 1.00 0.00 H new ATOM 0 HB2 LYS A 94 2.914 -6.347 1.483 1.00 0.00 H new ATOM 0 HB3 LYS A 94 4.428 -5.852 2.213 1.00 0.00 H new ATOM 0 HG2 LYS A 94 4.450 -8.174 2.482 1.00 0.00 H new ATOM 0 HG3 LYS A 94 3.909 -7.607 4.049 1.00 0.00 H new ATOM 0 HD2 LYS A 94 1.702 -8.299 3.703 1.00 0.00 H new ATOM 0 HD3 LYS A 94 1.831 -8.207 1.958 1.00 0.00 H new ATOM 0 HE2 LYS A 94 2.916 -10.273 1.781 1.00 0.00 H new ATOM 0 HE3 LYS A 94 3.554 -10.202 3.411 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 1.398 -11.630 2.657 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 1.728 -11.151 4.252 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 0.665 -10.237 3.293 1.00 0.00 H new ATOM 1387 N PHE A 95 2.461 -6.060 5.666 1.00 0.00 N ATOM 1388 CA PHE A 95 2.872 -6.236 7.054 1.00 0.00 C ATOM 1389 C PHE A 95 3.263 -7.686 7.325 1.00 0.00 C ATOM 1390 O PHE A 95 2.459 -8.601 7.142 1.00 0.00 O ATOM 1391 CB PHE A 95 1.746 -5.814 7.999 1.00 0.00 C ATOM 1392 CG PHE A 95 2.121 -5.894 9.452 1.00 0.00 C ATOM 1393 CD1 PHE A 95 2.206 -7.120 10.092 1.00 0.00 C ATOM 1394 CD2 PHE A 95 2.388 -4.744 10.176 1.00 0.00 C ATOM 1395 CE1 PHE A 95 2.550 -7.196 11.428 1.00 0.00 C ATOM 1396 CE2 PHE A 95 2.732 -4.814 11.513 1.00 0.00 C ATOM 1397 CZ PHE A 95 2.815 -6.042 12.139 1.00 0.00 C ATOM 0 H PHE A 95 1.541 -6.442 5.447 1.00 0.00 H new ATOM 0 HA PHE A 95 3.742 -5.604 7.233 1.00 0.00 H new ATOM 0 HB2 PHE A 95 1.449 -4.792 7.764 1.00 0.00 H new ATOM 0 HB3 PHE A 95 0.877 -6.447 7.821 1.00 0.00 H new ATOM 0 HD1 PHE A 95 2.001 -8.026 9.541 1.00 0.00 H new ATOM 0 HD2 PHE A 95 2.327 -3.781 9.690 1.00 0.00 H new ATOM 0 HE1 PHE A 95 2.612 -8.157 11.916 1.00 0.00 H new ATOM 0 HE2 PHE A 95 2.936 -3.910 12.067 1.00 0.00 H new ATOM 0 HZ PHE A 95 3.087 -6.100 13.183 1.00 0.00 H new ATOM 1407 N ILE A 96 4.501 -7.887 7.763 1.00 0.00 N ATOM 1408 CA ILE A 96 4.998 -9.225 8.060 1.00 0.00 C ATOM 1409 C ILE A 96 5.638 -9.278 9.443 1.00 0.00 C ATOM 1410 O ILE A 96 6.757 -8.803 9.639 1.00 0.00 O ATOM 1411 CB ILE A 96 6.026 -9.689 7.012 1.00 0.00 C ATOM 1412 CG1 ILE A 96 5.498 -9.433 5.599 1.00 0.00 C ATOM 1413 CG2 ILE A 96 6.349 -11.164 7.203 1.00 0.00 C ATOM 1414 CD1 ILE A 96 6.415 -9.943 4.509 1.00 0.00 C ATOM 0 H ILE A 96 5.178 -7.141 7.920 1.00 0.00 H new ATOM 0 HA ILE A 96 4.138 -9.895 8.034 1.00 0.00 H new ATOM 0 HB ILE A 96 6.943 -9.116 7.146 1.00 0.00 H new ATOM 0 HG12 ILE A 96 4.522 -9.907 5.493 1.00 0.00 H new ATOM 0 HG13 ILE A 96 5.348 -8.362 5.465 1.00 0.00 H new ATOM 0 HG21 ILE A 96 7.077 -11.477 6.455 1.00 0.00 H new ATOM 0 HG22 ILE A 96 6.763 -11.320 8.199 1.00 0.00 H new ATOM 0 HG23 ILE A 96 5.439 -11.753 7.092 1.00 0.00 H new ATOM 0 HD11 ILE A 96 5.977 -9.727 3.534 1.00 0.00 H new ATOM 0 HD12 ILE A 96 7.384 -9.450 4.589 1.00 0.00 H new ATOM 0 HD13 ILE A 96 6.546 -11.020 4.618 1.00 0.00 H new