USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 567 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 74 SER OG : rot -77:sc= 1.97 USER MOD Set 1.2: A 84 THR OG1 : rot 180:sc= -0.36 USER MOD Set 2.1: A 39 LYS NZ :NH3+ -176:sc= 1.21 (180deg=1.08) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Single : A 25 MET CE :methyl -158:sc= -0.164 (180deg=-0.753) USER MOD Single : A 26 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0346) USER MOD Single : A 27 LYS NZ :NH3+ 134:sc= -0.0293 (180deg=-0.3) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 180:sc= -0.0538 USER MOD Single : A 42 THR OG1 : rot -57:sc= 1.3 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.006 USER MOD Single : A 49 MET CE :methyl -160:sc= -0.166 (180deg=-0.806) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 151:sc= 1.3 (180deg=1.07) USER MOD Single : A 61 LYS NZ :NH3+ -161:sc= 2.48 (180deg=2.19) USER MOD Single : A 65 LYS NZ :NH3+ 163:sc= 1.21 (180deg=0.348) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0.0212 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 89 LYS NZ :NH3+ -158:sc= 1.27 (180deg=1.17) USER MOD Single : A 90 LYS NZ :NH3+ 172:sc= 1.3 (180deg=1.02) USER MOD Single : A 91 LYS NZ :NH3+ 149:sc= 1.29 (180deg=1.17) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.615 -5.412 2.541 1.00 0.00 N ATOM 329 CA ALA A 22 3.847 -4.288 1.642 1.00 0.00 C ATOM 330 C ALA A 22 3.550 -2.946 2.311 1.00 0.00 C ATOM 331 O ALA A 22 2.460 -2.388 2.163 1.00 0.00 O ATOM 332 CB ALA A 22 3.045 -4.442 0.360 1.00 0.00 C ATOM 0 HA ALA A 22 4.907 -4.295 1.388 1.00 0.00 H new ATOM 0 HB1 ALA A 22 3.236 -3.591 -0.293 1.00 0.00 H new ATOM 0 HB2 ALA A 22 3.341 -5.361 -0.146 1.00 0.00 H new ATOM 0 HB3 ALA A 22 1.982 -4.485 0.599 1.00 0.00 H new ATOM 338 N GLU A 23 4.522 -2.448 3.072 1.00 0.00 N ATOM 339 CA GLU A 23 4.436 -1.121 3.665 1.00 0.00 C ATOM 340 C GLU A 23 5.814 -0.472 3.749 1.00 0.00 C ATOM 341 O GLU A 23 6.815 -1.063 3.339 1.00 0.00 O ATOM 342 CB GLU A 23 3.805 -1.169 5.053 1.00 0.00 C ATOM 343 CG GLU A 23 2.312 -0.899 5.042 1.00 0.00 C ATOM 344 CD GLU A 23 1.782 -0.479 6.393 1.00 0.00 C ATOM 345 OE1 GLU A 23 1.884 0.724 6.726 1.00 0.00 O ATOM 346 OE2 GLU A 23 1.245 -1.337 7.122 1.00 0.00 O ATOM 0 H GLU A 23 5.383 -2.949 3.292 1.00 0.00 H new ATOM 0 HA GLU A 23 3.798 -0.520 3.017 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.987 -2.149 5.494 1.00 0.00 H new ATOM 0 HB3 GLU A 23 4.295 -0.436 5.693 1.00 0.00 H new ATOM 0 HG2 GLU A 23 2.094 -0.119 4.313 1.00 0.00 H new ATOM 0 HG3 GLU A 23 1.788 -1.797 4.714 1.00 0.00 H new ATOM 353 N ILE A 24 5.852 0.749 4.269 1.00 0.00 N ATOM 354 CA ILE A 24 7.098 1.495 4.398 1.00 0.00 C ATOM 355 C ILE A 24 7.807 1.113 5.701 1.00 0.00 C ATOM 356 O ILE A 24 7.157 0.826 6.704 1.00 0.00 O ATOM 357 CB ILE A 24 6.836 3.021 4.407 1.00 0.00 C ATOM 358 CG1 ILE A 24 6.008 3.449 3.189 1.00 0.00 C ATOM 359 CG2 ILE A 24 8.149 3.794 4.450 1.00 0.00 C ATOM 360 CD1 ILE A 24 6.784 3.480 1.890 1.00 0.00 C ATOM 0 H ILE A 24 5.029 1.246 4.610 1.00 0.00 H new ATOM 0 HA ILE A 24 7.724 1.245 3.541 1.00 0.00 H new ATOM 0 HB ILE A 24 6.265 3.253 5.306 1.00 0.00 H new ATOM 0 HG12 ILE A 24 5.165 2.767 3.079 1.00 0.00 H new ATOM 0 HG13 ILE A 24 5.594 4.440 3.375 1.00 0.00 H new ATOM 0 HG21 ILE A 24 7.941 4.864 4.456 1.00 0.00 H new ATOM 0 HG22 ILE A 24 8.699 3.526 5.352 1.00 0.00 H new ATOM 0 HG23 ILE A 24 8.747 3.545 3.573 1.00 0.00 H new ATOM 0 HD11 ILE A 24 6.125 3.792 1.080 1.00 0.00 H new ATOM 0 HD12 ILE A 24 7.611 4.184 1.977 1.00 0.00 H new ATOM 0 HD13 ILE A 24 7.175 2.485 1.676 1.00 0.00 H new ATOM 372 N MET A 25 9.134 1.111 5.683 1.00 0.00 N ATOM 373 CA MET A 25 9.915 0.837 6.883 1.00 0.00 C ATOM 374 C MET A 25 10.958 1.921 7.107 1.00 0.00 C ATOM 375 O MET A 25 11.253 2.706 6.201 1.00 0.00 O ATOM 376 CB MET A 25 10.599 -0.529 6.783 1.00 0.00 C ATOM 377 CG MET A 25 9.695 -1.692 7.155 1.00 0.00 C ATOM 378 SD MET A 25 9.231 -1.680 8.901 1.00 0.00 S ATOM 379 CE MET A 25 10.829 -1.889 9.681 1.00 0.00 C ATOM 0 H MET A 25 9.693 1.296 4.850 1.00 0.00 H new ATOM 0 HA MET A 25 9.231 0.827 7.732 1.00 0.00 H new ATOM 0 HB2 MET A 25 10.959 -0.672 5.764 1.00 0.00 H new ATOM 0 HB3 MET A 25 11.473 -0.537 7.434 1.00 0.00 H new ATOM 0 HG2 MET A 25 8.794 -1.657 6.543 1.00 0.00 H new ATOM 0 HG3 MET A 25 10.201 -2.629 6.924 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.694 -2.286 10.687 1.00 0.00 H new ATOM 0 HE2 MET A 25 11.432 -2.583 9.095 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.336 -0.926 9.736 1.00 0.00 H new ATOM 389 N LYS A 26 11.502 1.968 8.318 1.00 0.00 N ATOM 390 CA LYS A 26 12.568 2.899 8.650 1.00 0.00 C ATOM 391 C LYS A 26 13.788 2.613 7.785 1.00 0.00 C ATOM 392 O LYS A 26 14.125 1.455 7.549 1.00 0.00 O ATOM 393 CB LYS A 26 12.931 2.771 10.125 1.00 0.00 C ATOM 394 CG LYS A 26 11.760 3.017 11.063 1.00 0.00 C ATOM 395 CD LYS A 26 12.143 2.734 12.504 1.00 0.00 C ATOM 396 CE LYS A 26 10.981 2.969 13.455 1.00 0.00 C ATOM 397 NZ LYS A 26 10.632 4.411 13.569 1.00 0.00 N ATOM 0 H LYS A 26 11.217 1.366 9.090 1.00 0.00 H new ATOM 0 HA LYS A 26 12.227 3.916 8.459 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.329 1.773 10.308 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.727 3.478 10.358 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.426 4.050 10.969 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.921 2.383 10.776 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.483 1.702 12.594 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.980 3.371 12.789 1.00 0.00 H new ATOM 0 HE2 LYS A 26 10.111 2.413 13.107 1.00 0.00 H new ATOM 0 HE3 LYS A 26 11.236 2.579 14.441 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 9.893 4.533 14.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 11.477 4.952 13.844 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.283 4.757 12.653 1.00 0.00 H new ATOM 411 N LYS A 27 14.453 3.661 7.328 1.00 0.00 N ATOM 412 CA LYS A 27 15.536 3.512 6.363 1.00 0.00 C ATOM 413 C LYS A 27 16.780 2.899 6.996 1.00 0.00 C ATOM 414 O LYS A 27 17.589 2.275 6.308 1.00 0.00 O ATOM 415 CB LYS A 27 15.862 4.857 5.724 1.00 0.00 C ATOM 416 CG LYS A 27 14.706 5.412 4.915 1.00 0.00 C ATOM 417 CD LYS A 27 15.049 6.744 4.272 1.00 0.00 C ATOM 418 CE LYS A 27 13.860 7.316 3.513 1.00 0.00 C ATOM 419 NZ LYS A 27 12.692 7.556 4.403 1.00 0.00 N ATOM 0 H LYS A 27 14.264 4.624 7.607 1.00 0.00 H new ATOM 0 HA LYS A 27 15.197 2.825 5.587 1.00 0.00 H new ATOM 0 HB2 LYS A 27 16.131 5.570 6.503 1.00 0.00 H new ATOM 0 HB3 LYS A 27 16.733 4.747 5.078 1.00 0.00 H new ATOM 0 HG2 LYS A 27 14.429 4.696 4.141 1.00 0.00 H new ATOM 0 HG3 LYS A 27 13.837 5.535 5.561 1.00 0.00 H new ATOM 0 HD2 LYS A 27 15.366 7.450 5.040 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.890 6.615 3.591 1.00 0.00 H new ATOM 0 HE2 LYS A 27 14.151 8.252 3.037 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.574 6.629 2.717 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.294 8.497 4.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 11.967 6.831 4.228 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 12.997 7.508 5.396 1.00 0.00 H new ATOM 433 N THR A 28 16.931 3.076 8.298 1.00 0.00 N ATOM 434 CA THR A 28 18.031 2.461 9.025 1.00 0.00 C ATOM 435 C THR A 28 17.892 0.941 9.012 1.00 0.00 C ATOM 436 O THR A 28 18.830 0.223 8.657 1.00 0.00 O ATOM 437 CB THR A 28 18.084 2.979 10.474 1.00 0.00 C ATOM 438 OG1 THR A 28 18.173 4.411 10.467 1.00 0.00 O ATOM 439 CG2 THR A 28 19.274 2.397 11.224 1.00 0.00 C ATOM 0 H THR A 28 16.306 3.640 8.874 1.00 0.00 H new ATOM 0 HA THR A 28 18.963 2.732 8.529 1.00 0.00 H new ATOM 0 HB THR A 28 17.173 2.665 10.984 1.00 0.00 H new ATOM 0 HG1 THR A 28 18.205 4.741 11.389 1.00 0.00 H new ATOM 0 HG21 THR A 28 19.285 2.781 12.244 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.194 1.310 11.246 1.00 0.00 H new ATOM 0 HG23 THR A 28 20.197 2.682 10.719 1.00 0.00 H new ATOM 447 N ASP A 29 16.710 0.461 9.367 1.00 0.00 N ATOM 448 CA ASP A 29 16.418 -0.962 9.314 1.00 0.00 C ATOM 449 C ASP A 29 16.408 -1.423 7.870 1.00 0.00 C ATOM 450 O ASP A 29 16.906 -2.491 7.558 1.00 0.00 O ATOM 451 CB ASP A 29 15.057 -1.268 9.950 1.00 0.00 C ATOM 452 CG ASP A 29 14.999 -0.963 11.435 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.827 0.221 11.800 1.00 0.00 O ATOM 454 OD2 ASP A 29 15.089 -1.911 12.241 1.00 0.00 O ATOM 0 H ASP A 29 15.936 1.038 9.696 1.00 0.00 H new ATOM 0 HA ASP A 29 17.190 -1.491 9.872 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.288 -0.690 9.438 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.821 -2.321 9.794 1.00 0.00 H new ATOM 459 N PHE A 30 15.843 -0.599 6.994 1.00 0.00 N ATOM 460 CA PHE A 30 15.768 -0.907 5.569 1.00 0.00 C ATOM 461 C PHE A 30 17.146 -1.222 4.996 1.00 0.00 C ATOM 462 O PHE A 30 17.318 -2.210 4.289 1.00 0.00 O ATOM 463 CB PHE A 30 15.132 0.261 4.808 1.00 0.00 C ATOM 464 CG PHE A 30 15.209 0.130 3.314 1.00 0.00 C ATOM 465 CD1 PHE A 30 14.445 -0.812 2.645 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.052 0.949 2.577 1.00 0.00 C ATOM 467 CE1 PHE A 30 14.523 -0.936 1.272 1.00 0.00 C ATOM 468 CE2 PHE A 30 16.135 0.829 1.206 1.00 0.00 C ATOM 469 CZ PHE A 30 15.369 -0.112 0.552 1.00 0.00 C ATOM 0 H PHE A 30 15.426 0.296 7.249 1.00 0.00 H new ATOM 0 HA PHE A 30 15.144 -1.793 5.449 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.086 0.346 5.102 1.00 0.00 H new ATOM 0 HB3 PHE A 30 15.623 1.187 5.107 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.782 -1.456 3.203 1.00 0.00 H new ATOM 0 HD2 PHE A 30 16.651 1.691 3.084 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.924 -1.675 0.761 1.00 0.00 H new ATOM 0 HE2 PHE A 30 16.799 1.471 0.646 1.00 0.00 H new ATOM 0 HZ PHE A 30 15.429 -0.206 -0.522 1.00 0.00 H new ATOM 479 N ASP A 31 18.125 -0.385 5.309 1.00 0.00 N ATOM 480 CA ASP A 31 19.482 -0.580 4.798 1.00 0.00 C ATOM 481 C ASP A 31 20.103 -1.855 5.358 1.00 0.00 C ATOM 482 O ASP A 31 20.870 -2.539 4.678 1.00 0.00 O ATOM 483 CB ASP A 31 20.357 0.628 5.148 1.00 0.00 C ATOM 484 CG ASP A 31 21.788 0.485 4.663 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.043 0.732 3.464 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.668 0.142 5.481 1.00 0.00 O ATOM 0 H ASP A 31 18.011 0.431 5.910 1.00 0.00 H new ATOM 0 HA ASP A 31 19.424 -0.678 3.714 1.00 0.00 H new ATOM 0 HB2 ASP A 31 19.919 1.525 4.711 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.358 0.768 6.229 1.00 0.00 H new ATOM 491 N LYS A 32 19.745 -2.181 6.591 1.00 0.00 N ATOM 492 CA LYS A 32 20.292 -3.344 7.273 1.00 0.00 C ATOM 493 C LYS A 32 19.561 -4.630 6.888 1.00 0.00 C ATOM 494 O LYS A 32 20.156 -5.709 6.881 1.00 0.00 O ATOM 495 CB LYS A 32 20.250 -3.106 8.786 1.00 0.00 C ATOM 496 CG LYS A 32 21.549 -2.532 9.334 1.00 0.00 C ATOM 497 CD LYS A 32 21.816 -1.148 8.769 1.00 0.00 C ATOM 498 CE LYS A 32 23.266 -0.723 8.940 1.00 0.00 C ATOM 499 NZ LYS A 32 23.644 -0.522 10.363 1.00 0.00 N ATOM 0 H LYS A 32 19.072 -1.651 7.144 1.00 0.00 H new ATOM 0 HA LYS A 32 21.327 -3.477 6.960 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.432 -2.425 9.018 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.034 -4.048 9.291 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.497 -2.481 10.422 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.377 -3.196 9.085 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.559 -1.135 7.710 1.00 0.00 H new ATOM 0 HD3 LYS A 32 21.167 -0.425 9.264 1.00 0.00 H new ATOM 0 HE2 LYS A 32 23.916 -1.479 8.500 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.436 0.202 8.390 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.642 -0.234 10.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.045 0.219 10.780 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 23.510 -1.411 10.887 1.00 0.00 H new ATOM 513 N VAL A 33 18.284 -4.523 6.549 1.00 0.00 N ATOM 514 CA VAL A 33 17.525 -5.687 6.115 1.00 0.00 C ATOM 515 C VAL A 33 17.693 -5.916 4.618 1.00 0.00 C ATOM 516 O VAL A 33 17.463 -7.019 4.134 1.00 0.00 O ATOM 517 CB VAL A 33 16.018 -5.594 6.461 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.814 -5.431 7.958 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.338 -4.469 5.696 1.00 0.00 C ATOM 0 H VAL A 33 17.756 -3.651 6.566 1.00 0.00 H new ATOM 0 HA VAL A 33 17.933 -6.535 6.666 1.00 0.00 H new ATOM 0 HB VAL A 33 15.552 -6.530 6.153 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.748 -5.368 8.175 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.240 -6.288 8.479 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.307 -4.519 8.295 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.282 -4.433 5.964 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.809 -3.519 5.950 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.435 -4.647 4.625 1.00 0.00 H new ATOM 529 N ALA A 34 18.123 -4.879 3.889 1.00 0.00 N ATOM 530 CA ALA A 34 18.377 -4.999 2.453 1.00 0.00 C ATOM 531 C ALA A 34 19.383 -6.112 2.184 1.00 0.00 C ATOM 532 O ALA A 34 19.393 -6.721 1.114 1.00 0.00 O ATOM 533 CB ALA A 34 18.879 -3.676 1.890 1.00 0.00 C ATOM 0 H ALA A 34 18.301 -3.950 4.271 1.00 0.00 H new ATOM 0 HA ALA A 34 17.441 -5.252 1.954 1.00 0.00 H new ATOM 0 HB1 ALA A 34 19.063 -3.782 0.821 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.129 -2.903 2.054 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.805 -3.395 2.392 1.00 0.00 H new ATOM 539 N SER A 35 20.215 -6.374 3.184 1.00 0.00 N ATOM 540 CA SER A 35 21.199 -7.439 3.125 1.00 0.00 C ATOM 541 C SER A 35 20.529 -8.805 2.914 1.00 0.00 C ATOM 542 O SER A 35 20.982 -9.611 2.099 1.00 0.00 O ATOM 543 CB SER A 35 22.028 -7.427 4.417 1.00 0.00 C ATOM 544 OG SER A 35 22.853 -8.573 4.523 1.00 0.00 O ATOM 0 H SER A 35 20.224 -5.851 4.059 1.00 0.00 H new ATOM 0 HA SER A 35 21.856 -7.270 2.272 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.647 -6.530 4.444 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.360 -7.379 5.277 1.00 0.00 H new ATOM 0 HG SER A 35 23.367 -8.530 5.356 1.00 0.00 H new ATOM 550 N GLU A 36 19.424 -9.046 3.617 1.00 0.00 N ATOM 551 CA GLU A 36 18.755 -10.342 3.570 1.00 0.00 C ATOM 552 C GLU A 36 17.322 -10.196 3.072 1.00 0.00 C ATOM 553 O GLU A 36 16.405 -10.892 3.510 1.00 0.00 O ATOM 554 CB GLU A 36 18.802 -10.997 4.945 1.00 0.00 C ATOM 555 CG GLU A 36 20.183 -10.903 5.557 1.00 0.00 C ATOM 556 CD GLU A 36 20.521 -12.068 6.456 1.00 0.00 C ATOM 557 OE1 GLU A 36 20.243 -11.982 7.670 1.00 0.00 O ATOM 558 OE2 GLU A 36 21.086 -13.064 5.954 1.00 0.00 O ATOM 0 H GLU A 36 18.975 -8.361 4.225 1.00 0.00 H new ATOM 0 HA GLU A 36 19.279 -10.986 2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.078 -10.517 5.603 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.511 -12.044 4.861 1.00 0.00 H new ATOM 0 HG2 GLU A 36 20.923 -10.843 4.759 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.256 -9.978 6.130 1.00 0.00 H new ATOM 565 N TYR A 37 17.166 -9.301 2.115 1.00 0.00 N ATOM 566 CA TYR A 37 15.908 -9.097 1.405 1.00 0.00 C ATOM 567 C TYR A 37 16.188 -9.187 -0.096 1.00 0.00 C ATOM 568 O TYR A 37 17.318 -9.475 -0.491 1.00 0.00 O ATOM 569 CB TYR A 37 15.275 -7.744 1.771 1.00 0.00 C ATOM 570 CG TYR A 37 14.361 -7.795 2.987 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.791 -8.345 4.186 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.067 -7.288 2.932 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.966 -8.393 5.294 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.232 -7.332 4.038 1.00 0.00 C ATOM 575 CZ TYR A 37 12.688 -7.888 5.217 1.00 0.00 C ATOM 576 OH TYR A 37 11.865 -7.935 6.323 1.00 0.00 O ATOM 0 H TYR A 37 17.916 -8.685 1.801 1.00 0.00 H new ATOM 0 HA TYR A 37 15.192 -9.866 1.695 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.070 -7.022 1.957 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.705 -7.378 0.917 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.792 -8.744 4.255 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.706 -6.852 2.012 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.323 -8.825 6.217 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.230 -6.933 3.978 1.00 0.00 H new ATOM 0 HH TYR A 37 10.997 -7.537 6.102 1.00 0.00 H new ATOM 586 N THR A 38 15.192 -8.960 -0.932 1.00 0.00 N ATOM 587 CA THR A 38 15.368 -9.140 -2.365 1.00 0.00 C ATOM 588 C THR A 38 14.744 -8.003 -3.165 1.00 0.00 C ATOM 589 O THR A 38 13.632 -7.563 -2.882 1.00 0.00 O ATOM 590 CB THR A 38 14.764 -10.486 -2.817 1.00 0.00 C ATOM 591 OG1 THR A 38 15.380 -11.557 -2.091 1.00 0.00 O ATOM 592 CG2 THR A 38 14.950 -10.712 -4.311 1.00 0.00 C ATOM 0 H THR A 38 14.261 -8.654 -0.650 1.00 0.00 H new ATOM 0 HA THR A 38 16.441 -9.137 -2.559 1.00 0.00 H new ATOM 0 HB THR A 38 13.694 -10.459 -2.611 1.00 0.00 H new ATOM 0 HG1 THR A 38 14.994 -12.411 -2.378 1.00 0.00 H new ATOM 0 HG21 THR A 38 14.512 -11.670 -4.591 1.00 0.00 H new ATOM 0 HG22 THR A 38 14.458 -9.912 -4.864 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.014 -10.716 -4.549 1.00 0.00 H new ATOM 600 N LYS A 39 15.482 -7.524 -4.149 1.00 0.00 N ATOM 601 CA LYS A 39 14.965 -6.552 -5.096 1.00 0.00 C ATOM 602 C LYS A 39 14.091 -7.261 -6.122 1.00 0.00 C ATOM 603 O LYS A 39 14.541 -8.185 -6.805 1.00 0.00 O ATOM 604 CB LYS A 39 16.116 -5.831 -5.806 1.00 0.00 C ATOM 605 CG LYS A 39 15.669 -4.965 -6.976 1.00 0.00 C ATOM 606 CD LYS A 39 15.253 -3.569 -6.544 1.00 0.00 C ATOM 607 CE LYS A 39 16.439 -2.774 -6.029 1.00 0.00 C ATOM 608 NZ LYS A 39 16.131 -1.326 -5.937 1.00 0.00 N ATOM 0 H LYS A 39 16.451 -7.795 -4.315 1.00 0.00 H new ATOM 0 HA LYS A 39 14.372 -5.813 -4.557 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.642 -5.207 -5.084 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.830 -6.572 -6.166 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.481 -4.891 -7.699 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.834 -5.448 -7.483 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.800 -3.046 -7.386 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.493 -3.638 -5.765 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.728 -3.148 -5.047 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.292 -2.923 -6.691 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.984 -0.807 -5.647 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 15.814 -0.979 -6.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.379 -1.175 -5.235 1.00 0.00 H new ATOM 622 N ILE A 40 12.842 -6.843 -6.223 1.00 0.00 N ATOM 623 CA ILE A 40 11.922 -7.449 -7.176 1.00 0.00 C ATOM 624 C ILE A 40 11.480 -6.444 -8.229 1.00 0.00 C ATOM 625 O ILE A 40 10.618 -6.736 -9.059 1.00 0.00 O ATOM 626 CB ILE A 40 10.688 -8.065 -6.490 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.045 -7.066 -5.530 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.076 -9.344 -5.761 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.812 -7.601 -4.834 1.00 0.00 C ATOM 0 H ILE A 40 12.441 -6.091 -5.662 1.00 0.00 H new ATOM 0 HA ILE A 40 12.471 -8.256 -7.662 1.00 0.00 H new ATOM 0 HB ILE A 40 9.953 -8.312 -7.256 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.778 -6.774 -4.778 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.778 -6.165 -6.082 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.196 -9.770 -5.280 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.482 -10.061 -6.475 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.828 -9.118 -5.005 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.410 -6.837 -4.168 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.061 -7.867 -5.578 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.076 -8.485 -4.254 1.00 0.00 H new ATOM 641 N GLY A 41 12.072 -5.264 -8.187 1.00 0.00 N ATOM 642 CA GLY A 41 11.848 -4.290 -9.231 1.00 0.00 C ATOM 643 C GLY A 41 11.145 -3.041 -8.746 1.00 0.00 C ATOM 644 O GLY A 41 10.747 -2.952 -7.583 1.00 0.00 O ATOM 0 H GLY A 41 12.705 -4.962 -7.447 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.806 -4.012 -9.670 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.255 -4.747 -10.023 1.00 0.00 H new ATOM 648 N THR A 42 11.005 -2.073 -9.637 1.00 0.00 N ATOM 649 CA THR A 42 10.310 -0.837 -9.327 1.00 0.00 C ATOM 650 C THR A 42 8.939 -0.829 -9.997 1.00 0.00 C ATOM 651 O THR A 42 8.744 -1.450 -11.044 1.00 0.00 O ATOM 652 CB THR A 42 11.110 0.389 -9.811 1.00 0.00 C ATOM 653 OG1 THR A 42 12.495 0.241 -9.476 1.00 0.00 O ATOM 654 CG2 THR A 42 10.581 1.678 -9.196 1.00 0.00 C ATOM 0 H THR A 42 11.368 -2.122 -10.589 1.00 0.00 H new ATOM 0 HA THR A 42 10.199 -0.780 -8.244 1.00 0.00 H new ATOM 0 HB THR A 42 10.996 0.448 -10.893 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.585 0.108 -8.509 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.168 2.522 -9.559 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.537 1.814 -9.478 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.659 1.622 -8.110 1.00 0.00 H new ATOM 662 N ILE A 43 8.005 -0.126 -9.393 1.00 0.00 N ATOM 663 CA ILE A 43 6.668 0.028 -9.948 1.00 0.00 C ATOM 664 C ILE A 43 6.348 1.506 -10.084 1.00 0.00 C ATOM 665 O ILE A 43 7.033 2.345 -9.498 1.00 0.00 O ATOM 666 CB ILE A 43 5.589 -0.652 -9.075 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.611 -0.082 -7.656 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.789 -2.161 -9.054 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.612 -0.726 -6.720 1.00 0.00 C ATOM 0 H ILE A 43 8.146 0.356 -8.505 1.00 0.00 H new ATOM 0 HA ILE A 43 6.657 -0.459 -10.923 1.00 0.00 H new ATOM 0 HB ILE A 43 4.612 -0.445 -9.511 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.612 -0.203 -7.242 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.413 0.989 -7.702 1.00 0.00 H new ATOM 0 HG21 ILE A 43 5.020 -2.621 -8.434 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.719 -2.551 -10.069 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.772 -2.392 -8.643 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.689 -0.268 -5.734 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.604 -0.582 -7.109 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.822 -1.793 -6.642 1.00 0.00 H new ATOM 681 N SER A 44 5.326 1.832 -10.846 1.00 0.00 N ATOM 682 CA SER A 44 4.978 3.215 -11.072 1.00 0.00 C ATOM 683 C SER A 44 3.470 3.411 -11.114 1.00 0.00 C ATOM 684 O SER A 44 2.704 2.457 -10.957 1.00 0.00 O ATOM 685 CB SER A 44 5.609 3.681 -12.377 1.00 0.00 C ATOM 686 OG SER A 44 5.403 2.732 -13.414 1.00 0.00 O ATOM 0 H SER A 44 4.723 1.158 -11.318 1.00 0.00 H new ATOM 0 HA SER A 44 5.360 3.810 -10.243 1.00 0.00 H new ATOM 0 HB2 SER A 44 5.182 4.641 -12.668 1.00 0.00 H new ATOM 0 HB3 SER A 44 6.678 3.839 -12.232 1.00 0.00 H new ATOM 0 HG SER A 44 5.816 3.056 -14.241 1.00 0.00 H new ATOM 692 N THR A 45 3.056 4.652 -11.314 1.00 0.00 N ATOM 693 CA THR A 45 1.649 4.982 -11.439 1.00 0.00 C ATOM 694 C THR A 45 1.393 5.766 -12.720 1.00 0.00 C ATOM 695 O THR A 45 2.097 6.733 -13.022 1.00 0.00 O ATOM 696 CB THR A 45 1.147 5.794 -10.231 1.00 0.00 C ATOM 697 OG1 THR A 45 2.138 6.752 -9.829 1.00 0.00 O ATOM 698 CG2 THR A 45 0.801 4.886 -9.063 1.00 0.00 C ATOM 0 H THR A 45 3.683 5.453 -11.394 1.00 0.00 H new ATOM 0 HA THR A 45 1.099 4.041 -11.474 1.00 0.00 H new ATOM 0 HB THR A 45 0.242 6.320 -10.534 1.00 0.00 H new ATOM 0 HG1 THR A 45 1.807 7.263 -9.061 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.450 5.489 -8.225 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.018 4.190 -9.363 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.687 4.327 -8.762 1.00 0.00 H new ATOM 706 N THR A 46 0.392 5.343 -13.472 1.00 0.00 N ATOM 707 CA THR A 46 0.044 6.004 -14.715 1.00 0.00 C ATOM 708 C THR A 46 -1.420 6.424 -14.688 1.00 0.00 C ATOM 709 O THR A 46 -2.198 5.942 -13.862 1.00 0.00 O ATOM 710 CB THR A 46 0.316 5.091 -15.937 1.00 0.00 C ATOM 711 OG1 THR A 46 0.135 5.821 -17.160 1.00 0.00 O ATOM 712 CG2 THR A 46 -0.598 3.870 -15.929 1.00 0.00 C ATOM 0 H THR A 46 -0.195 4.542 -13.241 1.00 0.00 H new ATOM 0 HA THR A 46 0.672 6.889 -14.814 1.00 0.00 H new ATOM 0 HB THR A 46 1.349 4.750 -15.871 1.00 0.00 H new ATOM 0 HG1 THR A 46 0.312 5.231 -17.922 1.00 0.00 H new ATOM 0 HG21 THR A 46 -0.383 3.249 -16.799 1.00 0.00 H new ATOM 0 HG22 THR A 46 -0.427 3.293 -15.020 1.00 0.00 H new ATOM 0 HG23 THR A 46 -1.638 4.194 -15.963 1.00 0.00 H new ATOM 720 N GLY A 47 -1.790 7.341 -15.569 1.00 0.00 N ATOM 721 CA GLY A 47 -3.163 7.797 -15.635 1.00 0.00 C ATOM 722 C GLY A 47 -3.397 9.035 -14.807 1.00 0.00 C ATOM 723 O GLY A 47 -4.303 9.818 -15.093 1.00 0.00 O ATOM 0 H GLY A 47 -1.161 7.779 -16.242 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -3.426 8.002 -16.673 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.824 7.002 -15.290 1.00 0.00 H new ATOM 727 N GLU A 48 -2.560 9.205 -13.794 1.00 0.00 N ATOM 728 CA GLU A 48 -2.608 10.359 -12.900 1.00 0.00 C ATOM 729 C GLU A 48 -3.926 10.420 -12.130 1.00 0.00 C ATOM 730 O GLU A 48 -4.925 10.961 -12.607 1.00 0.00 O ATOM 731 CB GLU A 48 -2.371 11.644 -13.691 1.00 0.00 C ATOM 732 CG GLU A 48 -1.020 11.661 -14.384 1.00 0.00 C ATOM 733 CD GLU A 48 -0.920 12.728 -15.444 1.00 0.00 C ATOM 734 OE1 GLU A 48 -1.274 12.440 -16.608 1.00 0.00 O ATOM 735 OE2 GLU A 48 -0.476 13.847 -15.130 1.00 0.00 O ATOM 0 H GLU A 48 -1.820 8.541 -13.565 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.813 10.252 -12.162 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.159 11.759 -14.436 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.441 12.499 -13.018 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -0.238 11.819 -13.641 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -0.837 10.687 -14.837 1.00 0.00 H new ATOM 742 N MET A 49 -3.920 9.838 -10.942 1.00 0.00 N ATOM 743 CA MET A 49 -5.098 9.807 -10.090 1.00 0.00 C ATOM 744 C MET A 49 -4.804 10.521 -8.777 1.00 0.00 C ATOM 745 O MET A 49 -3.708 11.055 -8.596 1.00 0.00 O ATOM 746 CB MET A 49 -5.506 8.356 -9.811 1.00 0.00 C ATOM 747 CG MET A 49 -5.874 7.565 -11.058 1.00 0.00 C ATOM 748 SD MET A 49 -6.274 5.842 -10.705 1.00 0.00 S ATOM 749 CE MET A 49 -4.726 5.265 -10.014 1.00 0.00 C ATOM 0 H MET A 49 -3.103 9.376 -10.542 1.00 0.00 H new ATOM 0 HA MET A 49 -5.917 10.315 -10.599 1.00 0.00 H new ATOM 0 HB2 MET A 49 -4.686 7.850 -9.302 1.00 0.00 H new ATOM 0 HB3 MET A 49 -6.355 8.353 -9.128 1.00 0.00 H new ATOM 0 HG2 MET A 49 -6.727 8.038 -11.544 1.00 0.00 H new ATOM 0 HG3 MET A 49 -5.044 7.603 -11.764 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.683 4.178 -10.075 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.895 5.693 -10.575 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.656 5.573 -8.971 1.00 0.00 H new ATOM 759 N SER A 50 -5.774 10.533 -7.870 1.00 0.00 N ATOM 760 CA SER A 50 -5.571 11.095 -6.544 1.00 0.00 C ATOM 761 C SER A 50 -4.441 10.352 -5.827 1.00 0.00 C ATOM 762 O SER A 50 -4.262 9.147 -6.023 1.00 0.00 O ATOM 763 CB SER A 50 -6.870 11.015 -5.741 1.00 0.00 C ATOM 764 OG SER A 50 -7.923 11.691 -6.415 1.00 0.00 O ATOM 0 H SER A 50 -6.709 10.159 -8.031 1.00 0.00 H new ATOM 0 HA SER A 50 -5.287 12.143 -6.637 1.00 0.00 H new ATOM 0 HB2 SER A 50 -7.143 9.971 -5.585 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.721 11.456 -4.755 1.00 0.00 H new ATOM 0 HG SER A 50 -8.745 11.626 -5.885 1.00 0.00 H new ATOM 770 N PRO A 51 -3.664 11.055 -4.989 1.00 0.00 N ATOM 771 CA PRO A 51 -2.455 10.496 -4.376 1.00 0.00 C ATOM 772 C PRO A 51 -2.735 9.253 -3.542 1.00 0.00 C ATOM 773 O PRO A 51 -1.983 8.281 -3.593 1.00 0.00 O ATOM 774 CB PRO A 51 -1.927 11.635 -3.494 1.00 0.00 C ATOM 775 CG PRO A 51 -3.081 12.565 -3.318 1.00 0.00 C ATOM 776 CD PRO A 51 -3.903 12.443 -4.567 1.00 0.00 C ATOM 0 HA PRO A 51 -1.742 10.166 -5.132 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.576 11.258 -2.533 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.084 12.139 -3.966 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.666 12.299 -2.438 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.738 13.590 -3.175 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.959 12.629 -4.374 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.587 13.156 -5.329 1.00 0.00 H new ATOM 784 N LEU A 52 -3.825 9.277 -2.792 1.00 0.00 N ATOM 785 CA LEU A 52 -4.203 8.147 -1.956 1.00 0.00 C ATOM 786 C LEU A 52 -4.590 6.960 -2.837 1.00 0.00 C ATOM 787 O LEU A 52 -4.194 5.827 -2.568 1.00 0.00 O ATOM 788 CB LEU A 52 -5.358 8.562 -1.030 1.00 0.00 C ATOM 789 CG LEU A 52 -5.615 7.669 0.191 1.00 0.00 C ATOM 790 CD1 LEU A 52 -6.453 8.420 1.213 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.322 6.381 -0.206 1.00 0.00 C ATOM 0 H LEU A 52 -4.466 10.069 -2.745 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.360 7.842 -1.335 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -5.164 9.575 -0.677 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -6.272 8.601 -1.622 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.651 7.408 0.628 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -6.632 7.781 2.077 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -5.922 9.318 1.530 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -7.407 8.701 0.766 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -6.490 5.770 0.681 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -7.280 6.619 -0.669 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.704 5.830 -0.915 1.00 0.00 H new ATOM 803 N ASP A 53 -5.329 7.233 -3.911 1.00 0.00 N ATOM 804 CA ASP A 53 -5.729 6.186 -4.854 1.00 0.00 C ATOM 805 C ASP A 53 -4.503 5.578 -5.519 1.00 0.00 C ATOM 806 O ASP A 53 -4.404 4.360 -5.677 1.00 0.00 O ATOM 807 CB ASP A 53 -6.678 6.733 -5.929 1.00 0.00 C ATOM 808 CG ASP A 53 -8.114 6.840 -5.457 1.00 0.00 C ATOM 809 OD1 ASP A 53 -8.804 5.797 -5.396 1.00 0.00 O ATOM 810 OD2 ASP A 53 -8.565 7.966 -5.159 1.00 0.00 O ATOM 0 H ASP A 53 -5.663 8.167 -4.151 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.256 5.417 -4.289 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.331 7.717 -6.244 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.637 6.085 -6.805 1.00 0.00 H new ATOM 815 N ALA A 54 -3.566 6.438 -5.896 1.00 0.00 N ATOM 816 CA ALA A 54 -2.325 5.996 -6.513 1.00 0.00 C ATOM 817 C ALA A 54 -1.485 5.193 -5.527 1.00 0.00 C ATOM 818 O ALA A 54 -0.808 4.240 -5.909 1.00 0.00 O ATOM 819 CB ALA A 54 -1.543 7.188 -7.035 1.00 0.00 C ATOM 0 H ALA A 54 -3.644 7.449 -5.784 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.571 5.347 -7.353 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.617 6.843 -7.494 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -2.140 7.718 -7.777 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.310 7.860 -6.209 1.00 0.00 H new ATOM 825 N ARG A 55 -1.542 5.578 -4.253 1.00 0.00 N ATOM 826 CA ARG A 55 -0.858 4.842 -3.205 1.00 0.00 C ATOM 827 C ARG A 55 -1.378 3.420 -3.146 1.00 0.00 C ATOM 828 O ARG A 55 -0.601 2.476 -3.148 1.00 0.00 O ATOM 829 CB ARG A 55 -1.045 5.513 -1.843 1.00 0.00 C ATOM 830 CG ARG A 55 -0.211 6.763 -1.645 1.00 0.00 C ATOM 831 CD ARG A 55 -0.105 7.119 -0.172 1.00 0.00 C ATOM 832 NE ARG A 55 -1.409 7.138 0.491 1.00 0.00 N ATOM 833 CZ ARG A 55 -1.673 7.845 1.587 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.731 8.606 2.136 1.00 0.00 N ATOM 835 NH2 ARG A 55 -2.878 7.790 2.136 1.00 0.00 N ATOM 0 H ARG A 55 -2.056 6.396 -3.927 1.00 0.00 H new ATOM 0 HA ARG A 55 0.206 4.834 -3.441 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -2.097 5.769 -1.718 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -0.796 4.796 -1.060 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.786 6.609 -2.058 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.658 7.593 -2.192 1.00 0.00 H new ATOM 0 HD2 ARG A 55 0.543 6.399 0.328 1.00 0.00 H new ATOM 0 HD3 ARG A 55 0.366 8.097 -0.070 1.00 0.00 H new ATOM 0 HE ARG A 55 -2.160 6.576 0.090 1.00 0.00 H new ATOM 0 HH11 ARG A 55 0.198 8.649 1.717 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.937 9.146 2.976 1.00 0.00 H new ATOM 0 HH21 ARG A 55 -3.602 7.206 1.718 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -3.081 8.332 2.976 1.00 0.00 H new ATOM 849 N GLU A 56 -2.698 3.275 -3.117 1.00 0.00 N ATOM 850 CA GLU A 56 -3.317 1.961 -3.026 1.00 0.00 C ATOM 851 C GLU A 56 -2.962 1.110 -4.238 1.00 0.00 C ATOM 852 O GLU A 56 -2.792 -0.101 -4.121 1.00 0.00 O ATOM 853 CB GLU A 56 -4.833 2.088 -2.899 1.00 0.00 C ATOM 854 CG GLU A 56 -5.268 2.945 -1.727 1.00 0.00 C ATOM 855 CD GLU A 56 -6.767 2.942 -1.524 1.00 0.00 C ATOM 856 OE1 GLU A 56 -7.510 3.020 -2.525 1.00 0.00 O ATOM 857 OE2 GLU A 56 -7.211 2.862 -0.360 1.00 0.00 O ATOM 0 H GLU A 56 -3.358 4.051 -3.155 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.932 1.469 -2.133 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.233 2.514 -3.819 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.266 1.093 -2.793 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.782 2.586 -0.820 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.929 3.969 -1.886 1.00 0.00 H new ATOM 864 N ASP A 57 -2.826 1.754 -5.391 1.00 0.00 N ATOM 865 CA ASP A 57 -2.432 1.056 -6.609 1.00 0.00 C ATOM 866 C ASP A 57 -1.015 0.536 -6.458 1.00 0.00 C ATOM 867 O ASP A 57 -0.733 -0.617 -6.757 1.00 0.00 O ATOM 868 CB ASP A 57 -2.529 1.980 -7.829 1.00 0.00 C ATOM 869 CG ASP A 57 -1.991 1.333 -9.095 1.00 0.00 C ATOM 870 OD1 ASP A 57 -2.638 0.402 -9.616 1.00 0.00 O ATOM 871 OD2 ASP A 57 -0.926 1.763 -9.586 1.00 0.00 O ATOM 0 H ASP A 57 -2.982 2.755 -5.508 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.113 0.219 -6.767 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -3.570 2.263 -7.984 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -1.975 2.898 -7.630 1.00 0.00 H new ATOM 876 N LEU A 58 -0.139 1.389 -5.952 1.00 0.00 N ATOM 877 CA LEU A 58 1.251 1.023 -5.715 1.00 0.00 C ATOM 878 C LEU A 58 1.350 -0.091 -4.676 1.00 0.00 C ATOM 879 O LEU A 58 1.987 -1.119 -4.904 1.00 0.00 O ATOM 880 CB LEU A 58 2.033 2.250 -5.238 1.00 0.00 C ATOM 881 CG LEU A 58 2.333 3.296 -6.312 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.042 4.494 -5.703 1.00 0.00 C ATOM 883 CD2 LEU A 58 3.178 2.693 -7.421 1.00 0.00 C ATOM 0 H LEU A 58 -0.368 2.349 -5.695 1.00 0.00 H new ATOM 0 HA LEU A 58 1.678 0.659 -6.650 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.471 2.729 -4.436 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.977 1.914 -4.809 1.00 0.00 H new ATOM 0 HG LEU A 58 1.388 3.631 -6.739 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.248 5.229 -6.481 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.407 4.943 -4.939 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.980 4.171 -5.251 1.00 0.00 H new ATOM 0 HD21 LEU A 58 3.382 3.452 -8.177 1.00 0.00 H new ATOM 0 HD22 LEU A 58 4.119 2.332 -7.006 1.00 0.00 H new ATOM 0 HD23 LEU A 58 2.640 1.862 -7.877 1.00 0.00 H new ATOM 895 N ILE A 59 0.691 0.125 -3.549 1.00 0.00 N ATOM 896 CA ILE A 59 0.728 -0.799 -2.424 1.00 0.00 C ATOM 897 C ILE A 59 0.190 -2.170 -2.819 1.00 0.00 C ATOM 898 O ILE A 59 0.832 -3.191 -2.579 1.00 0.00 O ATOM 899 CB ILE A 59 -0.087 -0.241 -1.234 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.533 1.071 -0.740 1.00 0.00 C ATOM 901 CG2 ILE A 59 -0.152 -1.257 -0.100 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.430 1.957 0.026 1.00 0.00 C ATOM 0 H ILE A 59 0.113 0.949 -3.387 1.00 0.00 H new ATOM 0 HA ILE A 59 1.770 -0.910 -2.122 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.104 -0.045 -1.574 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.385 0.840 -0.101 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.917 1.625 -1.597 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.730 -0.843 0.726 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.630 -2.170 -0.456 1.00 0.00 H new ATOM 0 HG23 ILE A 59 0.857 -1.486 0.242 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.084 2.865 0.342 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.271 2.220 -0.615 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.796 1.424 0.903 1.00 0.00 H new ATOM 914 N LYS A 60 -0.979 -2.190 -3.448 1.00 0.00 N ATOM 915 CA LYS A 60 -1.617 -3.448 -3.812 1.00 0.00 C ATOM 916 C LYS A 60 -0.912 -4.123 -4.980 1.00 0.00 C ATOM 917 O LYS A 60 -0.884 -5.342 -5.057 1.00 0.00 O ATOM 918 CB LYS A 60 -3.100 -3.243 -4.126 1.00 0.00 C ATOM 919 CG LYS A 60 -3.946 -2.986 -2.889 1.00 0.00 C ATOM 920 CD LYS A 60 -3.814 -4.126 -1.888 1.00 0.00 C ATOM 921 CE LYS A 60 -4.367 -5.430 -2.444 1.00 0.00 C ATOM 922 NZ LYS A 60 -4.093 -6.586 -1.548 1.00 0.00 N ATOM 0 H LYS A 60 -1.501 -1.355 -3.715 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.535 -4.109 -2.949 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.206 -2.402 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.481 -4.125 -4.641 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.638 -2.050 -2.422 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -4.991 -2.870 -3.177 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -2.765 -4.259 -1.624 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -4.343 -3.868 -0.971 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.443 -5.333 -2.590 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -3.928 -5.620 -3.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.841 -7.299 -1.663 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -3.174 -7.006 -1.794 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.072 -6.262 -0.560 1.00 0.00 H new ATOM 936 N LYS A 61 -0.347 -3.337 -5.887 1.00 0.00 N ATOM 937 CA LYS A 61 0.419 -3.886 -7.002 1.00 0.00 C ATOM 938 C LYS A 61 1.695 -4.539 -6.486 1.00 0.00 C ATOM 939 O LYS A 61 2.070 -5.627 -6.921 1.00 0.00 O ATOM 940 CB LYS A 61 0.751 -2.773 -7.992 1.00 0.00 C ATOM 941 CG LYS A 61 0.443 -3.126 -9.430 1.00 0.00 C ATOM 942 CD LYS A 61 0.164 -1.881 -10.263 1.00 0.00 C ATOM 943 CE LYS A 61 1.282 -0.854 -10.152 1.00 0.00 C ATOM 944 NZ LYS A 61 0.948 0.406 -10.868 1.00 0.00 N ATOM 0 H LYS A 61 -0.404 -2.319 -5.874 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.176 -4.645 -7.511 1.00 0.00 H new ATOM 0 HB2 LYS A 61 0.192 -1.878 -7.719 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.809 -2.527 -7.906 1.00 0.00 H new ATOM 0 HG2 LYS A 61 1.283 -3.672 -9.860 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.421 -3.790 -9.466 1.00 0.00 H new ATOM 0 HD2 LYS A 61 0.036 -2.166 -11.307 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -0.774 -1.431 -9.938 1.00 0.00 H new ATOM 0 HE2 LYS A 61 1.472 -0.635 -9.101 1.00 0.00 H new ATOM 0 HE3 LYS A 61 2.202 -1.272 -10.562 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 1.820 0.943 -11.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 0.486 0.180 -11.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 0.305 0.977 -10.284 1.00 0.00 H new ATOM 958 N ALA A 62 2.355 -3.861 -5.557 1.00 0.00 N ATOM 959 CA ALA A 62 3.511 -4.422 -4.876 1.00 0.00 C ATOM 960 C ALA A 62 3.117 -5.694 -4.132 1.00 0.00 C ATOM 961 O ALA A 62 3.749 -6.737 -4.289 1.00 0.00 O ATOM 962 CB ALA A 62 4.106 -3.401 -3.915 1.00 0.00 C ATOM 0 H ALA A 62 2.107 -2.918 -5.258 1.00 0.00 H new ATOM 0 HA ALA A 62 4.268 -4.676 -5.619 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.970 -3.835 -3.412 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.416 -2.516 -4.471 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.358 -3.121 -3.173 1.00 0.00 H new ATOM 968 N ASP A 63 2.054 -5.593 -3.341 1.00 0.00 N ATOM 969 CA ASP A 63 1.515 -6.726 -2.589 1.00 0.00 C ATOM 970 C ASP A 63 1.154 -7.884 -3.519 1.00 0.00 C ATOM 971 O ASP A 63 1.452 -9.042 -3.232 1.00 0.00 O ATOM 972 CB ASP A 63 0.283 -6.275 -1.794 1.00 0.00 C ATOM 973 CG ASP A 63 -0.514 -7.429 -1.227 1.00 0.00 C ATOM 974 OD1 ASP A 63 -0.019 -8.109 -0.303 1.00 0.00 O ATOM 975 OD2 ASP A 63 -1.649 -7.653 -1.699 1.00 0.00 O ATOM 0 H ASP A 63 1.540 -4.723 -3.202 1.00 0.00 H new ATOM 0 HA ASP A 63 2.281 -7.081 -1.899 1.00 0.00 H new ATOM 0 HB2 ASP A 63 0.602 -5.626 -0.978 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.361 -5.680 -2.441 1.00 0.00 H new ATOM 980 N GLU A 64 0.529 -7.554 -4.641 1.00 0.00 N ATOM 981 CA GLU A 64 0.148 -8.543 -5.643 1.00 0.00 C ATOM 982 C GLU A 64 1.370 -9.209 -6.270 1.00 0.00 C ATOM 983 O GLU A 64 1.299 -10.356 -6.712 1.00 0.00 O ATOM 984 CB GLU A 64 -0.720 -7.891 -6.723 1.00 0.00 C ATOM 985 CG GLU A 64 -2.199 -8.163 -6.553 1.00 0.00 C ATOM 986 CD GLU A 64 -3.048 -7.470 -7.596 1.00 0.00 C ATOM 987 OE1 GLU A 64 -2.874 -7.756 -8.799 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.895 -6.636 -7.220 1.00 0.00 O ATOM 0 H GLU A 64 0.272 -6.597 -4.883 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.429 -9.321 -5.143 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.553 -6.814 -6.711 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.402 -8.252 -7.701 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.374 -9.238 -6.605 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.512 -7.836 -5.561 1.00 0.00 H new ATOM 995 N LYS A 65 2.490 -8.500 -6.303 1.00 0.00 N ATOM 996 CA LYS A 65 3.721 -9.065 -6.834 1.00 0.00 C ATOM 997 C LYS A 65 4.559 -9.656 -5.700 1.00 0.00 C ATOM 998 O LYS A 65 5.692 -10.091 -5.906 1.00 0.00 O ATOM 999 CB LYS A 65 4.511 -8.011 -7.618 1.00 0.00 C ATOM 1000 CG LYS A 65 5.180 -8.573 -8.867 1.00 0.00 C ATOM 1001 CD LYS A 65 5.809 -7.484 -9.723 1.00 0.00 C ATOM 1002 CE LYS A 65 7.129 -6.993 -9.151 1.00 0.00 C ATOM 1003 NZ LYS A 65 8.189 -8.037 -9.221 1.00 0.00 N ATOM 0 H LYS A 65 2.571 -7.539 -5.971 1.00 0.00 H new ATOM 0 HA LYS A 65 3.468 -9.867 -7.527 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.840 -7.202 -7.905 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.272 -7.578 -6.969 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.947 -9.291 -8.575 1.00 0.00 H new ATOM 0 HG3 LYS A 65 4.443 -9.117 -9.458 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.972 -7.865 -10.731 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.117 -6.646 -9.807 1.00 0.00 H new ATOM 0 HE2 LYS A 65 7.455 -6.108 -9.698 1.00 0.00 H new ATOM 0 HE3 LYS A 65 6.985 -6.691 -8.114 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 9.122 -7.594 -9.098 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 8.037 -8.737 -8.467 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 8.150 -8.510 -10.146 1.00 0.00 H new ATOM 1017 N GLY A 66 3.989 -9.652 -4.499 1.00 0.00 N ATOM 1018 CA GLY A 66 4.589 -10.347 -3.377 1.00 0.00 C ATOM 1019 C GLY A 66 5.541 -9.495 -2.560 1.00 0.00 C ATOM 1020 O GLY A 66 6.256 -10.022 -1.717 1.00 0.00 O ATOM 0 H GLY A 66 3.114 -9.175 -4.283 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.797 -10.715 -2.725 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.127 -11.219 -3.749 1.00 0.00 H new ATOM 1024 N ALA A 67 5.541 -8.188 -2.788 1.00 0.00 N ATOM 1025 CA ALA A 67 6.470 -7.294 -2.100 1.00 0.00 C ATOM 1026 C ALA A 67 6.175 -7.205 -0.612 1.00 0.00 C ATOM 1027 O ALA A 67 5.022 -7.284 -0.183 1.00 0.00 O ATOM 1028 CB ALA A 67 6.439 -5.912 -2.725 1.00 0.00 C ATOM 0 H ALA A 67 4.911 -7.722 -3.441 1.00 0.00 H new ATOM 0 HA ALA A 67 7.469 -7.714 -2.213 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.137 -5.260 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.726 -5.981 -3.774 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.432 -5.501 -2.650 1.00 0.00 H new ATOM 1034 N ASP A 68 7.234 -7.041 0.163 1.00 0.00 N ATOM 1035 CA ASP A 68 7.127 -6.920 1.609 1.00 0.00 C ATOM 1036 C ASP A 68 7.318 -5.474 2.034 1.00 0.00 C ATOM 1037 O ASP A 68 6.581 -4.954 2.870 1.00 0.00 O ATOM 1038 CB ASP A 68 8.176 -7.796 2.299 1.00 0.00 C ATOM 1039 CG ASP A 68 7.762 -9.245 2.424 1.00 0.00 C ATOM 1040 OD1 ASP A 68 8.012 -10.020 1.479 1.00 0.00 O ATOM 1041 OD2 ASP A 68 7.220 -9.624 3.481 1.00 0.00 O ATOM 0 H ASP A 68 8.189 -6.988 -0.190 1.00 0.00 H new ATOM 0 HA ASP A 68 6.132 -7.253 1.905 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.110 -7.740 1.740 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.375 -7.396 3.293 1.00 0.00 H new ATOM 1046 N VAL A 69 8.311 -4.828 1.445 1.00 0.00 N ATOM 1047 CA VAL A 69 8.625 -3.444 1.778 1.00 0.00 C ATOM 1048 C VAL A 69 8.493 -2.566 0.541 1.00 0.00 C ATOM 1049 O VAL A 69 8.911 -2.958 -0.546 1.00 0.00 O ATOM 1050 CB VAL A 69 10.057 -3.311 2.355 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.352 -1.871 2.750 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.249 -4.245 3.542 1.00 0.00 C ATOM 0 H VAL A 69 8.915 -5.238 0.733 1.00 0.00 H new ATOM 0 HA VAL A 69 7.917 -3.117 2.539 1.00 0.00 H new ATOM 0 HB VAL A 69 10.763 -3.599 1.576 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.363 -1.804 3.152 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.267 -1.229 1.874 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.638 -1.548 3.508 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.261 -4.135 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.531 -3.994 4.322 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.093 -5.276 3.223 1.00 0.00 H new ATOM 1062 N VAL A 70 7.901 -1.392 0.696 1.00 0.00 N ATOM 1063 CA VAL A 70 7.786 -0.456 -0.412 1.00 0.00 C ATOM 1064 C VAL A 70 8.571 0.812 -0.089 1.00 0.00 C ATOM 1065 O VAL A 70 8.649 1.213 1.071 1.00 0.00 O ATOM 1066 CB VAL A 70 6.312 -0.107 -0.732 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.547 -1.352 -1.154 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.627 0.552 0.454 1.00 0.00 C ATOM 0 H VAL A 70 7.495 -1.066 1.573 1.00 0.00 H new ATOM 0 HA VAL A 70 8.201 -0.934 -1.299 1.00 0.00 H new ATOM 0 HB VAL A 70 6.314 0.604 -1.558 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.513 -1.086 -1.375 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.010 -1.779 -2.044 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.569 -2.084 -0.346 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.594 0.784 0.195 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.644 -0.126 1.307 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.151 1.472 0.712 1.00 0.00 H new ATOM 1078 N VAL A 71 9.186 1.416 -1.098 1.00 0.00 N ATOM 1079 CA VAL A 71 9.976 2.624 -0.889 1.00 0.00 C ATOM 1080 C VAL A 71 9.660 3.667 -1.955 1.00 0.00 C ATOM 1081 O VAL A 71 9.751 3.393 -3.153 1.00 0.00 O ATOM 1082 CB VAL A 71 11.494 2.326 -0.914 1.00 0.00 C ATOM 1083 CG1 VAL A 71 12.298 3.587 -0.628 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.853 1.227 0.079 1.00 0.00 C ATOM 0 H VAL A 71 9.154 1.092 -2.065 1.00 0.00 H new ATOM 0 HA VAL A 71 9.710 3.010 0.095 1.00 0.00 H new ATOM 0 HB VAL A 71 11.748 1.976 -1.914 1.00 0.00 H new ATOM 0 HG11 VAL A 71 13.362 3.353 -0.651 1.00 0.00 H new ATOM 0 HG12 VAL A 71 12.076 4.340 -1.384 1.00 0.00 H new ATOM 0 HG13 VAL A 71 12.032 3.972 0.356 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.926 1.038 0.040 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.576 1.541 1.085 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.314 0.315 -0.177 1.00 0.00 H new ATOM 1094 N LEU A 72 9.282 4.860 -1.521 1.00 0.00 N ATOM 1095 CA LEU A 72 9.024 5.954 -2.446 1.00 0.00 C ATOM 1096 C LEU A 72 10.319 6.699 -2.751 1.00 0.00 C ATOM 1097 O LEU A 72 10.741 7.577 -1.995 1.00 0.00 O ATOM 1098 CB LEU A 72 7.971 6.914 -1.878 1.00 0.00 C ATOM 1099 CG LEU A 72 6.574 6.313 -1.703 1.00 0.00 C ATOM 1100 CD1 LEU A 72 5.608 7.340 -1.129 1.00 0.00 C ATOM 1101 CD2 LEU A 72 6.052 5.767 -3.027 1.00 0.00 C ATOM 0 H LEU A 72 9.147 5.095 -0.538 1.00 0.00 H new ATOM 0 HA LEU A 72 8.633 5.536 -3.374 1.00 0.00 H new ATOM 0 HB2 LEU A 72 8.317 7.278 -0.911 1.00 0.00 H new ATOM 0 HB3 LEU A 72 7.898 7.780 -2.536 1.00 0.00 H new ATOM 0 HG LEU A 72 6.649 5.486 -0.997 1.00 0.00 H new ATOM 0 HD11 LEU A 72 4.623 6.888 -1.014 1.00 0.00 H new ATOM 0 HD12 LEU A 72 5.969 7.675 -0.157 1.00 0.00 H new ATOM 0 HD13 LEU A 72 5.540 8.193 -1.804 1.00 0.00 H new ATOM 0 HD21 LEU A 72 5.058 5.345 -2.880 1.00 0.00 H new ATOM 0 HD22 LEU A 72 5.999 6.574 -3.758 1.00 0.00 H new ATOM 0 HD23 LEU A 72 6.725 4.991 -3.392 1.00 0.00 H new ATOM 1113 N THR A 73 10.960 6.310 -3.844 1.00 0.00 N ATOM 1114 CA THR A 73 12.224 6.905 -4.251 1.00 0.00 C ATOM 1115 C THR A 73 12.000 8.172 -5.067 1.00 0.00 C ATOM 1116 O THR A 73 12.812 9.099 -5.035 1.00 0.00 O ATOM 1117 CB THR A 73 13.052 5.898 -5.068 1.00 0.00 C ATOM 1118 OG1 THR A 73 12.201 5.229 -6.012 1.00 0.00 O ATOM 1119 CG2 THR A 73 13.713 4.874 -4.156 1.00 0.00 C ATOM 0 H THR A 73 10.621 5.579 -4.469 1.00 0.00 H new ATOM 0 HA THR A 73 12.772 7.171 -3.347 1.00 0.00 H new ATOM 0 HB THR A 73 13.834 6.441 -5.599 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.730 4.589 -6.533 1.00 0.00 H new ATOM 0 HG21 THR A 73 14.293 4.173 -4.756 1.00 0.00 H new ATOM 0 HG22 THR A 73 14.374 5.384 -3.455 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.947 4.331 -3.603 1.00 0.00 H new ATOM 1127 N SER A 74 10.891 8.209 -5.793 1.00 0.00 N ATOM 1128 CA SER A 74 10.536 9.376 -6.578 1.00 0.00 C ATOM 1129 C SER A 74 9.807 10.386 -5.705 1.00 0.00 C ATOM 1130 O SER A 74 10.042 10.468 -4.500 1.00 0.00 O ATOM 1131 CB SER A 74 9.655 8.957 -7.754 1.00 0.00 C ATOM 1132 OG SER A 74 8.441 8.389 -7.298 1.00 0.00 O ATOM 0 H SER A 74 10.223 7.441 -5.853 1.00 0.00 H new ATOM 0 HA SER A 74 11.443 9.840 -6.964 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.443 9.823 -8.381 1.00 0.00 H new ATOM 0 HB3 SER A 74 10.188 8.236 -8.374 1.00 0.00 H new ATOM 0 HG SER A 74 8.604 7.474 -6.987 1.00 0.00 H new ATOM 1138 N GLY A 75 8.927 11.153 -6.315 1.00 0.00 N ATOM 1139 CA GLY A 75 8.188 12.142 -5.581 1.00 0.00 C ATOM 1140 C GLY A 75 6.702 11.933 -5.706 1.00 0.00 C ATOM 1141 O GLY A 75 6.236 10.812 -5.923 1.00 0.00 O ATOM 0 H GLY A 75 8.712 11.106 -7.311 1.00 0.00 H new ATOM 0 HA2 GLY A 75 8.474 12.104 -4.530 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.448 13.136 -5.946 1.00 0.00 H new ATOM 1145 N GLN A 76 5.971 13.021 -5.596 1.00 0.00 N ATOM 1146 CA GLN A 76 4.519 13.001 -5.637 1.00 0.00 C ATOM 1147 C GLN A 76 3.985 14.418 -5.524 1.00 0.00 C ATOM 1148 O GLN A 76 4.039 15.021 -4.451 1.00 0.00 O ATOM 1149 CB GLN A 76 3.949 12.149 -4.495 1.00 0.00 C ATOM 1150 CG GLN A 76 2.427 12.118 -4.454 1.00 0.00 C ATOM 1151 CD GLN A 76 1.887 11.363 -3.254 1.00 0.00 C ATOM 1152 OE1 GLN A 76 1.661 11.943 -2.192 1.00 0.00 O ATOM 1153 NE2 GLN A 76 1.669 10.066 -3.414 1.00 0.00 N ATOM 0 H GLN A 76 6.367 13.953 -5.475 1.00 0.00 H new ATOM 0 HA GLN A 76 4.209 12.562 -6.586 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.322 11.129 -4.594 1.00 0.00 H new ATOM 0 HB3 GLN A 76 4.321 12.534 -3.546 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.048 13.140 -4.436 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.053 11.655 -5.367 1.00 0.00 H new ATOM 0 HE21 GLN A 76 1.869 9.622 -4.310 1.00 0.00 H new ATOM 0 HE22 GLN A 76 1.301 9.512 -2.641 1.00 0.00 H new ATOM 1162 N THR A 77 3.509 14.958 -6.634 1.00 0.00 N ATOM 1163 CA THR A 77 2.889 16.272 -6.638 1.00 0.00 C ATOM 1164 C THR A 77 1.640 16.259 -5.754 1.00 0.00 C ATOM 1165 O THR A 77 1.692 16.693 -4.599 1.00 0.00 O ATOM 1166 CB THR A 77 2.529 16.705 -8.072 1.00 0.00 C ATOM 1167 OG1 THR A 77 3.669 16.527 -8.928 1.00 0.00 O ATOM 1168 CG2 THR A 77 2.090 18.161 -8.105 1.00 0.00 C ATOM 0 H THR A 77 3.541 14.504 -7.547 1.00 0.00 H new ATOM 0 HA THR A 77 3.601 16.994 -6.238 1.00 0.00 H new ATOM 0 HB THR A 77 1.702 16.087 -8.423 1.00 0.00 H new ATOM 0 HG1 THR A 77 3.439 16.801 -9.840 1.00 0.00 H new ATOM 0 HG21 THR A 77 1.841 18.443 -9.128 1.00 0.00 H new ATOM 0 HG22 THR A 77 1.214 18.291 -7.469 1.00 0.00 H new ATOM 0 HG23 THR A 77 2.900 18.793 -7.741 1.00 0.00 H new ATOM 1176 N GLU A 78 0.538 15.727 -6.288 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.697 15.561 -5.525 1.00 0.00 C ATOM 1178 C GLU A 78 -1.828 15.079 -6.427 1.00 0.00 C ATOM 1179 O GLU A 78 -2.081 13.881 -6.527 1.00 0.00 O ATOM 1180 CB GLU A 78 -1.129 16.863 -4.846 1.00 0.00 C ATOM 1181 CG GLU A 78 -2.315 16.689 -3.916 1.00 0.00 C ATOM 1182 CD GLU A 78 -2.935 18.008 -3.528 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -2.262 18.812 -2.848 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -4.103 18.244 -3.897 1.00 0.00 O ATOM 0 H GLU A 78 0.478 15.402 -7.253 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.492 14.817 -4.756 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -0.289 17.266 -4.281 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -1.380 17.598 -5.611 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -3.066 16.065 -4.401 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.995 16.162 -3.017 1.00 0.00 H new ATOM 1191 N ASN A 79 -2.479 16.023 -7.105 1.00 0.00 N ATOM 1192 CA ASN A 79 -3.678 15.741 -7.884 1.00 0.00 C ATOM 1193 C ASN A 79 -3.371 14.818 -9.053 1.00 0.00 C ATOM 1194 O ASN A 79 -4.201 14.002 -9.454 1.00 0.00 O ATOM 1195 CB ASN A 79 -4.284 17.053 -8.383 1.00 0.00 C ATOM 1196 CG ASN A 79 -5.682 16.878 -8.927 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -5.876 16.643 -10.118 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -6.672 16.985 -8.056 1.00 0.00 N ATOM 0 H ASN A 79 -2.189 17.001 -7.128 1.00 0.00 H new ATOM 0 HA ASN A 79 -4.397 15.232 -7.242 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -4.304 17.774 -7.565 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -3.645 17.471 -9.161 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -7.637 16.872 -8.365 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -6.470 17.181 -7.076 1.00 0.00 H new ATOM 1205 N LYS A 80 -2.173 14.958 -9.591 1.00 0.00 N ATOM 1206 CA LYS A 80 -1.704 14.104 -10.660 1.00 0.00 C ATOM 1207 C LYS A 80 -0.256 13.737 -10.393 1.00 0.00 C ATOM 1208 O LYS A 80 0.530 14.577 -9.942 1.00 0.00 O ATOM 1209 CB LYS A 80 -1.833 14.822 -12.000 1.00 0.00 C ATOM 1210 CG LYS A 80 -0.995 16.079 -12.063 1.00 0.00 C ATOM 1211 CD LYS A 80 -1.430 16.997 -13.189 1.00 0.00 C ATOM 1212 CE LYS A 80 -0.684 18.319 -13.141 1.00 0.00 C ATOM 1213 NZ LYS A 80 -1.030 19.193 -14.288 1.00 0.00 N ATOM 0 H LYS A 80 -1.501 15.667 -9.298 1.00 0.00 H new ATOM 0 HA LYS A 80 -2.308 13.197 -10.701 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -1.532 14.147 -12.801 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -2.879 15.076 -12.174 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -1.067 16.610 -11.114 1.00 0.00 H new ATOM 0 HG3 LYS A 80 0.052 15.810 -12.199 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -1.251 16.510 -14.148 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -2.502 17.179 -13.119 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -0.918 18.834 -12.209 1.00 0.00 H new ATOM 0 HE3 LYS A 80 0.389 18.130 -13.140 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -0.500 20.085 -14.217 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -0.783 18.713 -15.177 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -2.050 19.395 -14.275 1.00 0.00 H new ATOM 1227 N ILE A 81 0.080 12.491 -10.647 1.00 0.00 N ATOM 1228 CA ILE A 81 1.420 11.980 -10.377 1.00 0.00 C ATOM 1229 C ILE A 81 1.766 10.832 -11.311 1.00 0.00 C ATOM 1230 O ILE A 81 0.887 10.118 -11.795 1.00 0.00 O ATOM 1231 CB ILE A 81 1.587 11.476 -8.920 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.525 10.431 -8.588 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.536 12.625 -7.926 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.664 9.844 -7.200 1.00 0.00 C ATOM 0 H ILE A 81 -0.558 11.802 -11.044 1.00 0.00 H new ATOM 0 HA ILE A 81 2.093 12.822 -10.539 1.00 0.00 H new ATOM 0 HB ILE A 81 2.570 11.011 -8.840 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.461 10.885 -8.684 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.578 9.626 -9.321 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.656 12.237 -6.915 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.339 13.329 -8.142 1.00 0.00 H new ATOM 0 HG23 ILE A 81 0.576 13.134 -8.007 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.124 9.110 -7.035 1.00 0.00 H new ATOM 0 HD12 ILE A 81 1.636 9.360 -7.105 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.580 10.639 -6.459 1.00 0.00 H new ATOM 1246 N HIS A 82 3.054 10.689 -11.579 1.00 0.00 N ATOM 1247 CA HIS A 82 3.589 9.528 -12.266 1.00 0.00 C ATOM 1248 C HIS A 82 4.652 8.885 -11.388 1.00 0.00 C ATOM 1249 O HIS A 82 5.630 8.317 -11.879 1.00 0.00 O ATOM 1250 CB HIS A 82 4.194 9.927 -13.609 1.00 0.00 C ATOM 1251 CG HIS A 82 3.194 10.072 -14.715 1.00 0.00 C ATOM 1252 ND1 HIS A 82 2.824 9.030 -15.538 1.00 0.00 N ATOM 1253 CD2 HIS A 82 2.501 11.150 -15.147 1.00 0.00 C ATOM 1254 CE1 HIS A 82 1.956 9.461 -16.429 1.00 0.00 C ATOM 1255 NE2 HIS A 82 1.737 10.745 -16.215 1.00 0.00 N ATOM 0 H HIS A 82 3.760 11.380 -11.324 1.00 0.00 H new ATOM 0 HA HIS A 82 2.783 8.819 -12.455 1.00 0.00 H new ATOM 0 HB2 HIS A 82 4.726 10.871 -13.489 1.00 0.00 H new ATOM 0 HB3 HIS A 82 4.933 9.180 -13.898 1.00 0.00 H new ATOM 0 HD2 HIS A 82 2.541 12.145 -14.730 1.00 0.00 H new ATOM 0 HE1 HIS A 82 1.500 8.864 -17.205 1.00 0.00 H new ATOM 0 HE2 HIS A 82 1.105 11.338 -16.753 1.00 0.00 H new ATOM 1264 N GLY A 83 4.432 8.976 -10.080 1.00 0.00 N ATOM 1265 CA GLY A 83 5.415 8.538 -9.107 1.00 0.00 C ATOM 1266 C GLY A 83 5.791 7.075 -9.240 1.00 0.00 C ATOM 1267 O GLY A 83 4.994 6.253 -9.702 1.00 0.00 O ATOM 0 H GLY A 83 3.576 9.352 -9.672 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.313 9.146 -9.212 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.025 8.715 -8.104 1.00 0.00 H new ATOM 1271 N THR A 84 7.005 6.756 -8.821 1.00 0.00 N ATOM 1272 CA THR A 84 7.517 5.400 -8.909 1.00 0.00 C ATOM 1273 C THR A 84 7.937 4.907 -7.526 1.00 0.00 C ATOM 1274 O THR A 84 8.593 5.632 -6.774 1.00 0.00 O ATOM 1275 CB THR A 84 8.733 5.319 -9.860 1.00 0.00 C ATOM 1276 OG1 THR A 84 9.814 6.102 -9.338 1.00 0.00 O ATOM 1277 CG2 THR A 84 8.377 5.817 -11.254 1.00 0.00 C ATOM 0 H THR A 84 7.658 7.425 -8.413 1.00 0.00 H new ATOM 0 HA THR A 84 6.719 4.771 -9.304 1.00 0.00 H new ATOM 0 HB THR A 84 9.034 4.274 -9.932 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.582 6.045 -9.944 1.00 0.00 H new ATOM 0 HG21 THR A 84 9.252 5.748 -11.900 1.00 0.00 H new ATOM 0 HG22 THR A 84 7.574 5.205 -11.665 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.050 6.855 -11.197 1.00 0.00 H new ATOM 1285 N ALA A 85 7.570 3.682 -7.191 1.00 0.00 N ATOM 1286 CA ALA A 85 7.950 3.109 -5.912 1.00 0.00 C ATOM 1287 C ALA A 85 8.804 1.877 -6.132 1.00 0.00 C ATOM 1288 O ALA A 85 8.469 1.018 -6.943 1.00 0.00 O ATOM 1289 CB ALA A 85 6.713 2.762 -5.094 1.00 0.00 C ATOM 0 H ALA A 85 7.012 3.068 -7.784 1.00 0.00 H new ATOM 0 HA ALA A 85 8.531 3.845 -5.356 1.00 0.00 H new ATOM 0 HB1 ALA A 85 7.017 2.334 -4.139 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.129 3.665 -4.917 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.107 2.039 -5.640 1.00 0.00 H new ATOM 1295 N ASP A 86 9.901 1.786 -5.411 1.00 0.00 N ATOM 1296 CA ASP A 86 10.797 0.651 -5.541 1.00 0.00 C ATOM 1297 C ASP A 86 10.545 -0.296 -4.391 1.00 0.00 C ATOM 1298 O ASP A 86 10.529 0.120 -3.232 1.00 0.00 O ATOM 1299 CB ASP A 86 12.253 1.108 -5.562 1.00 0.00 C ATOM 1300 CG ASP A 86 13.213 -0.021 -5.868 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.315 -0.416 -7.048 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.881 -0.510 -4.936 1.00 0.00 O ATOM 0 H ASP A 86 10.196 2.483 -4.728 1.00 0.00 H new ATOM 0 HA ASP A 86 10.605 0.139 -6.484 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.373 1.894 -6.308 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.507 1.544 -4.596 1.00 0.00 H new ATOM 1307 N ILE A 87 10.318 -1.556 -4.701 1.00 0.00 N ATOM 1308 CA ILE A 87 9.852 -2.480 -3.691 1.00 0.00 C ATOM 1309 C ILE A 87 10.863 -3.582 -3.403 1.00 0.00 C ATOM 1310 O ILE A 87 11.663 -3.967 -4.261 1.00 0.00 O ATOM 1311 CB ILE A 87 8.497 -3.099 -4.093 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.592 -3.757 -5.474 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.418 -2.028 -4.084 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.297 -4.387 -5.943 1.00 0.00 C ATOM 0 H ILE A 87 10.446 -1.958 -5.630 1.00 0.00 H new ATOM 0 HA ILE A 87 9.724 -1.902 -2.776 1.00 0.00 H new ATOM 0 HB ILE A 87 8.234 -3.870 -3.369 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.905 -3.008 -6.202 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.369 -4.521 -5.449 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.464 -2.471 -4.369 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.337 -1.602 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.679 -1.242 -4.793 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.444 -4.832 -6.927 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.992 -5.160 -5.238 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.521 -3.623 -6.002 1.00 0.00 H new ATOM 1326 N TYR A 88 10.797 -4.090 -2.183 1.00 0.00 N ATOM 1327 CA TYR A 88 11.682 -5.145 -1.724 1.00 0.00 C ATOM 1328 C TYR A 88 10.878 -6.305 -1.176 1.00 0.00 C ATOM 1329 O TYR A 88 9.779 -6.131 -0.647 1.00 0.00 O ATOM 1330 CB TYR A 88 12.648 -4.622 -0.657 1.00 0.00 C ATOM 1331 CG TYR A 88 13.805 -3.832 -1.226 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.618 -2.560 -1.745 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.086 -4.368 -1.252 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.671 -1.845 -2.275 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.145 -3.658 -1.782 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.932 -2.396 -2.291 1.00 0.00 C ATOM 1337 OH TYR A 88 16.982 -1.685 -2.828 1.00 0.00 O ATOM 0 H TYR A 88 10.125 -3.780 -1.481 1.00 0.00 H new ATOM 0 HA TYR A 88 12.267 -5.492 -2.576 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.098 -3.993 0.043 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.039 -5.465 -0.088 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.631 -2.122 -1.734 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.257 -5.356 -0.851 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.507 -0.856 -2.676 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.135 -4.090 -1.797 1.00 0.00 H new ATOM 0 HH TYR A 88 17.804 -2.215 -2.761 1.00 0.00 H new ATOM 1347 N LYS A 89 11.437 -7.482 -1.315 1.00 0.00 N ATOM 1348 CA LYS A 89 10.786 -8.706 -0.912 1.00 0.00 C ATOM 1349 C LYS A 89 11.570 -9.366 0.213 1.00 0.00 C ATOM 1350 O LYS A 89 12.799 -9.354 0.208 1.00 0.00 O ATOM 1351 CB LYS A 89 10.698 -9.635 -2.133 1.00 0.00 C ATOM 1352 CG LYS A 89 10.289 -11.058 -1.809 1.00 0.00 C ATOM 1353 CD LYS A 89 8.906 -11.086 -1.196 1.00 0.00 C ATOM 1354 CE LYS A 89 8.590 -12.422 -0.558 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.390 -12.330 0.312 1.00 0.00 N ATOM 0 H LYS A 89 12.365 -7.619 -1.715 1.00 0.00 H new ATOM 0 HA LYS A 89 9.782 -8.496 -0.543 1.00 0.00 H new ATOM 0 HB2 LYS A 89 9.983 -9.217 -2.842 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.667 -9.653 -2.631 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.303 -11.662 -2.716 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.008 -11.501 -1.120 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.827 -10.299 -0.446 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.165 -10.868 -1.965 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.423 -13.169 -1.334 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.444 -12.759 0.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.404 -13.104 1.006 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.392 -11.418 0.811 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.532 -12.403 -0.271 1.00 0.00 H new ATOM 1369 N LYS A 90 10.861 -9.922 1.180 1.00 0.00 N ATOM 1370 CA LYS A 90 11.495 -10.649 2.268 1.00 0.00 C ATOM 1371 C LYS A 90 12.040 -11.972 1.748 1.00 0.00 C ATOM 1372 O LYS A 90 11.358 -12.691 1.014 1.00 0.00 O ATOM 1373 CB LYS A 90 10.478 -10.896 3.387 1.00 0.00 C ATOM 1374 CG LYS A 90 11.021 -11.651 4.590 1.00 0.00 C ATOM 1375 CD LYS A 90 9.903 -12.060 5.544 1.00 0.00 C ATOM 1376 CE LYS A 90 9.178 -10.858 6.142 1.00 0.00 C ATOM 1377 NZ LYS A 90 7.742 -10.810 5.741 1.00 0.00 N ATOM 0 H LYS A 90 9.843 -9.884 1.235 1.00 0.00 H new ATOM 0 HA LYS A 90 12.320 -10.059 2.668 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.090 -9.935 3.724 1.00 0.00 H new ATOM 0 HB3 LYS A 90 9.636 -11.453 2.976 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.556 -12.539 4.253 1.00 0.00 H new ATOM 0 HG3 LYS A 90 11.741 -11.026 5.118 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.186 -12.685 5.012 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.319 -12.666 6.348 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.249 -10.897 7.229 1.00 0.00 H new ATOM 0 HE3 LYS A 90 9.674 -9.941 5.823 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 7.257 -10.060 6.274 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 7.672 -10.611 4.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.294 -11.726 5.946 1.00 0.00 H new ATOM 1391 N LYS A 91 13.265 -12.288 2.121 1.00 0.00 N ATOM 1392 CA LYS A 91 13.880 -13.534 1.697 1.00 0.00 C ATOM 1393 C LYS A 91 13.387 -14.694 2.541 1.00 0.00 C ATOM 1394 O LYS A 91 12.704 -14.514 3.549 1.00 0.00 O ATOM 1395 CB LYS A 91 15.404 -13.477 1.814 1.00 0.00 C ATOM 1396 CG LYS A 91 16.117 -12.708 0.715 1.00 0.00 C ATOM 1397 CD LYS A 91 17.615 -12.709 0.972 1.00 0.00 C ATOM 1398 CE LYS A 91 18.431 -12.447 -0.282 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.894 -12.513 -0.005 1.00 0.00 N ATOM 0 H LYS A 91 13.853 -11.703 2.714 1.00 0.00 H new ATOM 0 HA LYS A 91 13.600 -13.681 0.654 1.00 0.00 H new ATOM 0 HB2 LYS A 91 15.661 -13.027 2.773 1.00 0.00 H new ATOM 0 HB3 LYS A 91 15.788 -14.497 1.827 1.00 0.00 H new ATOM 0 HG2 LYS A 91 15.905 -13.160 -0.254 1.00 0.00 H new ATOM 0 HG3 LYS A 91 15.746 -11.684 0.676 1.00 0.00 H new ATOM 0 HD2 LYS A 91 17.851 -11.950 1.718 1.00 0.00 H new ATOM 0 HD3 LYS A 91 17.905 -13.671 1.394 1.00 0.00 H new ATOM 0 HE2 LYS A 91 18.171 -13.179 -1.046 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.179 -11.465 -0.683 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 20.393 -12.852 -0.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 20.243 -11.566 0.247 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 20.069 -13.167 0.784 1.00 0.00 H new ATOM 1413 N LEU A 92 13.782 -15.881 2.131 1.00 0.00 N ATOM 1414 CA LEU A 92 13.543 -17.087 2.907 1.00 0.00 C ATOM 1415 C LEU A 92 14.841 -17.441 3.607 1.00 0.00 C ATOM 1416 O LEU A 92 14.954 -18.447 4.306 1.00 0.00 O ATOM 1417 CB LEU A 92 13.076 -18.251 2.017 1.00 0.00 C ATOM 1418 CG LEU A 92 14.021 -18.640 0.873 1.00 0.00 C ATOM 1419 CD1 LEU A 92 13.922 -20.131 0.587 1.00 0.00 C ATOM 1420 CD2 LEU A 92 13.693 -17.855 -0.387 1.00 0.00 C ATOM 0 H LEU A 92 14.277 -16.041 1.253 1.00 0.00 H new ATOM 0 HA LEU A 92 12.747 -16.908 3.630 1.00 0.00 H new ATOM 0 HB2 LEU A 92 12.921 -19.126 2.648 1.00 0.00 H new ATOM 0 HB3 LEU A 92 12.108 -17.991 1.590 1.00 0.00 H new ATOM 0 HG LEU A 92 15.039 -18.402 1.181 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.599 -20.391 -0.227 1.00 0.00 H new ATOM 0 HD12 LEU A 92 14.197 -20.692 1.480 1.00 0.00 H new ATOM 0 HD13 LEU A 92 12.900 -20.380 0.303 1.00 0.00 H new ATOM 0 HD21 LEU A 92 14.375 -18.147 -1.185 1.00 0.00 H new ATOM 0 HD22 LEU A 92 12.668 -18.066 -0.691 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.800 -16.788 -0.190 1.00 0.00 H new ATOM 1432 N GLU A 93 15.809 -16.561 3.411 1.00 0.00 N ATOM 1433 CA GLU A 93 17.151 -16.731 3.920 1.00 0.00 C ATOM 1434 C GLU A 93 17.230 -16.224 5.355 1.00 0.00 C ATOM 1435 O GLU A 93 17.595 -15.079 5.609 1.00 0.00 O ATOM 1436 CB GLU A 93 18.112 -15.987 2.990 1.00 0.00 C ATOM 1437 CG GLU A 93 19.587 -16.195 3.272 1.00 0.00 C ATOM 1438 CD GLU A 93 20.443 -15.814 2.077 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.311 -14.675 1.572 1.00 0.00 O ATOM 1440 OE2 GLU A 93 21.213 -16.673 1.600 1.00 0.00 O ATOM 0 H GLU A 93 15.678 -15.697 2.885 1.00 0.00 H new ATOM 0 HA GLU A 93 17.431 -17.784 3.941 1.00 0.00 H new ATOM 0 HB2 GLU A 93 17.909 -16.296 1.965 1.00 0.00 H new ATOM 0 HB3 GLU A 93 17.895 -14.920 3.051 1.00 0.00 H new ATOM 0 HG2 GLU A 93 19.881 -15.599 4.136 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.765 -17.239 3.530 1.00 0.00 H new