USER MOD reduce.3.24.130724 H: found=0, std=0, add=566, rem=0, adj=26 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 37 TYR OH : rot 165:sc= 0.997 USER MOD Set 1.2: A 90 LYS NZ :NH3+ 156:sc= 1.36 (180deg=-0.636!) USER MOD Set 2.1: A 39 LYS NZ :NH3+ -165:sc= 0.215 (180deg=0.176) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0.0726 USER MOD Single : A 25 MET CE :methyl -154:sc= -0.0496 (180deg=-1.63) USER MOD Single : A 26 LYS NZ :NH3+ 163:sc= -0.0768 (180deg=-0.386) USER MOD Single : A 27 LYS NZ :NH3+ 173:sc= -0.331 (180deg=-0.372) USER MOD Single : A 28 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ -163:sc= 1.29 (180deg=1.22) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot -24:sc= -0.51 USER MOD Single : A 42 THR OG1 : rot -81:sc= 1.2 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0.18 USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 MET CE :methyl -160:sc= -0.234 (180deg=-0.868) USER MOD Single : A 50 SER OG : rot 180:sc= -0.765 USER MOD Single : A 60 LYS NZ :NH3+ -125:sc= 1.03 (180deg=0.613) USER MOD Single : A 61 LYS NZ :NH3+ -170:sc= 1.3 (180deg=1.07) USER MOD Single : A 65 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.106) USER MOD Single : A 73 THR OG1 : rot -130:sc= 0.0238 USER MOD Single : A 74 SER OG : rot 180:sc= -0.0447 USER MOD Single : A 76 GLN : amide:sc= 0.959 K(o=0.96,f=-5.4!) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.248 X(o=-0.25,f=-0.011) 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 84 THR OG1 : rot 180:sc= 0 USER MOD Single : A 89 LYS NZ :NH3+ -179:sc= 1.28 (180deg=1.26) USER MOD Single : A 91 LYS NZ :NH3+ 162:sc= 0.21 (180deg=0.117) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.522 -7.089 2.328 1.00 0.00 N ATOM 329 CA ALA A 22 4.369 -5.929 2.092 1.00 0.00 C ATOM 330 C ALA A 22 3.977 -4.771 3.003 1.00 0.00 C ATOM 331 O ALA A 22 2.789 -4.495 3.196 1.00 0.00 O ATOM 332 CB ALA A 22 4.287 -5.503 0.637 1.00 0.00 C ATOM 0 HA ALA A 22 5.397 -6.209 2.321 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.926 -4.634 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.620 -6.322 -0.001 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.257 -5.247 0.390 1.00 0.00 H new ATOM 338 N GLU A 23 4.977 -4.102 3.558 1.00 0.00 N ATOM 339 CA GLU A 23 4.753 -2.963 4.441 1.00 0.00 C ATOM 340 C GLU A 23 5.839 -1.907 4.227 1.00 0.00 C ATOM 341 O GLU A 23 6.929 -2.215 3.738 1.00 0.00 O ATOM 342 CB GLU A 23 4.732 -3.430 5.909 1.00 0.00 C ATOM 343 CG GLU A 23 4.533 -2.311 6.928 1.00 0.00 C ATOM 344 CD GLU A 23 3.218 -1.577 6.753 1.00 0.00 C ATOM 345 OE1 GLU A 23 3.148 -0.660 5.906 1.00 0.00 O ATOM 346 OE2 GLU A 23 2.251 -1.901 7.471 1.00 0.00 O ATOM 0 H GLU A 23 5.960 -4.330 3.412 1.00 0.00 H new ATOM 0 HA GLU A 23 3.787 -2.516 4.205 1.00 0.00 H new ATOM 0 HB2 GLU A 23 3.934 -4.162 6.032 1.00 0.00 H new ATOM 0 HB3 GLU A 23 5.670 -3.941 6.128 1.00 0.00 H new ATOM 0 HG2 GLU A 23 4.578 -2.730 7.933 1.00 0.00 H new ATOM 0 HG3 GLU A 23 5.354 -1.599 6.843 1.00 0.00 H new ATOM 353 N ILE A 24 5.520 -0.665 4.572 1.00 0.00 N ATOM 354 CA ILE A 24 6.467 0.440 4.478 1.00 0.00 C ATOM 355 C ILE A 24 7.511 0.330 5.584 1.00 0.00 C ATOM 356 O ILE A 24 7.165 0.255 6.764 1.00 0.00 O ATOM 357 CB ILE A 24 5.749 1.804 4.608 1.00 0.00 C ATOM 358 CG1 ILE A 24 4.746 2.007 3.466 1.00 0.00 C ATOM 359 CG2 ILE A 24 6.756 2.947 4.646 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.389 2.205 2.107 1.00 0.00 C ATOM 0 H ILE A 24 4.601 -0.396 4.924 1.00 0.00 H new ATOM 0 HA ILE A 24 6.947 0.382 3.501 1.00 0.00 H new ATOM 0 HB ILE A 24 5.198 1.803 5.548 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.083 1.143 3.420 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.124 2.873 3.692 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.227 3.895 4.738 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.420 2.818 5.500 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.342 2.946 3.727 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.613 2.342 1.354 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.029 3.087 2.132 1.00 0.00 H new ATOM 0 HD13 ILE A 24 5.988 1.329 1.857 1.00 0.00 H new ATOM 372 N MET A 25 8.781 0.316 5.209 1.00 0.00 N ATOM 373 CA MET A 25 9.852 0.247 6.195 1.00 0.00 C ATOM 374 C MET A 25 10.520 1.604 6.339 1.00 0.00 C ATOM 375 O MET A 25 10.588 2.379 5.378 1.00 0.00 O ATOM 376 CB MET A 25 10.905 -0.794 5.800 1.00 0.00 C ATOM 377 CG MET A 25 11.800 -1.227 6.949 1.00 0.00 C ATOM 378 SD MET A 25 10.861 -1.965 8.302 1.00 0.00 S ATOM 379 CE MET A 25 12.176 -2.452 9.414 1.00 0.00 C ATOM 0 H MET A 25 9.095 0.351 4.239 1.00 0.00 H new ATOM 0 HA MET A 25 9.408 -0.049 7.146 1.00 0.00 H new ATOM 0 HB2 MET A 25 10.401 -1.671 5.394 1.00 0.00 H new ATOM 0 HB3 MET A 25 11.525 -0.385 5.003 1.00 0.00 H new ATOM 0 HG2 MET A 25 12.535 -1.945 6.585 1.00 0.00 H new ATOM 0 HG3 MET A 25 12.354 -0.365 7.321 1.00 0.00 H new ATOM 0 HE1 MET A 25 11.842 -3.288 10.029 1.00 0.00 H new ATOM 0 HE2 MET A 25 13.049 -2.754 8.835 1.00 0.00 H new ATOM 0 HE3 MET A 25 12.439 -1.612 10.056 1.00 0.00 H new ATOM 389 N LYS A 26 10.988 1.896 7.545 1.00 0.00 N ATOM 390 CA LYS A 26 11.805 3.072 7.788 1.00 0.00 C ATOM 391 C LYS A 26 13.025 3.020 6.880 1.00 0.00 C ATOM 392 O LYS A 26 13.669 1.982 6.788 1.00 0.00 O ATOM 393 CB LYS A 26 12.252 3.106 9.248 1.00 0.00 C ATOM 394 CG LYS A 26 11.126 2.864 10.239 1.00 0.00 C ATOM 395 CD LYS A 26 11.612 2.976 11.674 1.00 0.00 C ATOM 396 CE LYS A 26 12.038 4.397 12.009 1.00 0.00 C ATOM 397 NZ LYS A 26 10.921 5.362 11.840 1.00 0.00 N ATOM 0 H LYS A 26 10.813 1.329 8.374 1.00 0.00 H new ATOM 0 HA LYS A 26 11.224 3.970 7.578 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.025 2.353 9.399 1.00 0.00 H new ATOM 0 HB3 LYS A 26 12.706 4.075 9.457 1.00 0.00 H new ATOM 0 HG2 LYS A 26 10.328 3.586 10.067 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.702 1.874 10.074 1.00 0.00 H new ATOM 0 HD2 LYS A 26 10.819 2.663 12.353 1.00 0.00 H new ATOM 0 HD3 LYS A 26 12.451 2.297 11.829 1.00 0.00 H new ATOM 0 HE2 LYS A 26 12.399 4.435 13.037 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.870 4.688 11.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 11.148 6.246 12.339 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 10.784 5.560 10.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 10.049 4.956 12.235 1.00 0.00 H new ATOM 411 N LYS A 27 13.333 4.130 6.221 1.00 0.00 N ATOM 412 CA LYS A 27 14.416 4.177 5.236 1.00 0.00 C ATOM 413 C LYS A 27 15.733 3.665 5.821 1.00 0.00 C ATOM 414 O LYS A 27 16.495 2.976 5.139 1.00 0.00 O ATOM 415 CB LYS A 27 14.591 5.607 4.709 1.00 0.00 C ATOM 416 CG LYS A 27 15.759 5.780 3.744 1.00 0.00 C ATOM 417 CD LYS A 27 15.547 5.043 2.427 1.00 0.00 C ATOM 418 CE LYS A 27 14.401 5.640 1.627 1.00 0.00 C ATOM 419 NZ LYS A 27 14.331 5.095 0.243 1.00 0.00 N ATOM 0 H LYS A 27 12.847 5.017 6.349 1.00 0.00 H new ATOM 0 HA LYS A 27 14.142 3.521 4.410 1.00 0.00 H new ATOM 0 HB2 LYS A 27 13.672 5.912 4.208 1.00 0.00 H new ATOM 0 HB3 LYS A 27 14.731 6.279 5.555 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.905 6.841 3.543 1.00 0.00 H new ATOM 0 HG3 LYS A 27 16.672 5.417 4.216 1.00 0.00 H new ATOM 0 HD2 LYS A 27 16.462 5.082 1.836 1.00 0.00 H new ATOM 0 HD3 LYS A 27 15.342 3.991 2.627 1.00 0.00 H new ATOM 0 HE2 LYS A 27 13.460 5.441 2.141 1.00 0.00 H new ATOM 0 HE3 LYS A 27 14.518 6.723 1.583 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 13.468 5.441 -0.223 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 15.164 5.407 -0.296 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.312 4.056 0.280 1.00 0.00 H new ATOM 433 N THR A 28 15.997 3.994 7.078 1.00 0.00 N ATOM 434 CA THR A 28 17.225 3.567 7.736 1.00 0.00 C ATOM 435 C THR A 28 17.269 2.047 7.893 1.00 0.00 C ATOM 436 O THR A 28 18.227 1.397 7.471 1.00 0.00 O ATOM 437 CB THR A 28 17.364 4.242 9.117 1.00 0.00 C ATOM 438 OG1 THR A 28 17.172 5.659 8.985 1.00 0.00 O ATOM 439 CG2 THR A 28 18.730 3.968 9.729 1.00 0.00 C ATOM 0 H THR A 28 15.378 4.555 7.663 1.00 0.00 H new ATOM 0 HA THR A 28 18.061 3.872 7.106 1.00 0.00 H new ATOM 0 HB THR A 28 16.603 3.825 9.777 1.00 0.00 H new ATOM 0 HG1 THR A 28 17.259 6.084 9.864 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.798 4.456 10.701 1.00 0.00 H new ATOM 0 HG22 THR A 28 18.864 2.893 9.853 1.00 0.00 H new ATOM 0 HG23 THR A 28 19.508 4.358 9.072 1.00 0.00 H new ATOM 447 N ASP A 29 16.217 1.482 8.468 1.00 0.00 N ATOM 448 CA ASP A 29 16.128 0.035 8.645 1.00 0.00 C ATOM 449 C ASP A 29 16.021 -0.651 7.295 1.00 0.00 C ATOM 450 O ASP A 29 16.613 -1.700 7.080 1.00 0.00 O ATOM 451 CB ASP A 29 14.919 -0.332 9.508 1.00 0.00 C ATOM 452 CG ASP A 29 15.035 0.155 10.936 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.732 1.340 11.195 1.00 0.00 O ATOM 454 OD2 ASP A 29 15.409 -0.653 11.816 1.00 0.00 O ATOM 0 H ASP A 29 15.413 2.001 8.820 1.00 0.00 H new ATOM 0 HA ASP A 29 17.033 -0.303 9.150 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.019 0.089 9.059 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.797 -1.415 9.509 1.00 0.00 H new ATOM 459 N PHE A 30 15.262 -0.043 6.395 1.00 0.00 N ATOM 460 CA PHE A 30 15.110 -0.536 5.033 1.00 0.00 C ATOM 461 C PHE A 30 16.462 -0.764 4.363 1.00 0.00 C ATOM 462 O PHE A 30 16.696 -1.820 3.785 1.00 0.00 O ATOM 463 CB PHE A 30 14.271 0.449 4.217 1.00 0.00 C ATOM 464 CG PHE A 30 14.342 0.224 2.738 1.00 0.00 C ATOM 465 CD1 PHE A 30 13.743 -0.885 2.161 1.00 0.00 C ATOM 466 CD2 PHE A 30 15.016 1.120 1.925 1.00 0.00 C ATOM 467 CE1 PHE A 30 13.818 -1.096 0.802 1.00 0.00 C ATOM 468 CE2 PHE A 30 15.094 0.914 0.564 1.00 0.00 C ATOM 469 CZ PHE A 30 14.492 -0.196 0.002 1.00 0.00 C ATOM 0 H PHE A 30 14.733 0.807 6.588 1.00 0.00 H new ATOM 0 HA PHE A 30 14.600 -1.498 5.076 1.00 0.00 H new ATOM 0 HB2 PHE A 30 13.231 0.378 4.536 1.00 0.00 H new ATOM 0 HB3 PHE A 30 14.603 1.464 4.437 1.00 0.00 H new ATOM 0 HD1 PHE A 30 13.212 -1.590 2.783 1.00 0.00 H new ATOM 0 HD2 PHE A 30 15.485 1.989 2.362 1.00 0.00 H new ATOM 0 HE1 PHE A 30 13.350 -1.965 0.363 1.00 0.00 H new ATOM 0 HE2 PHE A 30 15.624 1.618 -0.061 1.00 0.00 H new ATOM 0 HZ PHE A 30 14.549 -0.359 -1.064 1.00 0.00 H new ATOM 479 N ASP A 31 17.347 0.219 4.453 1.00 0.00 N ATOM 480 CA ASP A 31 18.664 0.113 3.827 1.00 0.00 C ATOM 481 C ASP A 31 19.473 -1.002 4.474 1.00 0.00 C ATOM 482 O ASP A 31 20.231 -1.711 3.812 1.00 0.00 O ATOM 483 CB ASP A 31 19.421 1.441 3.939 1.00 0.00 C ATOM 484 CG ASP A 31 20.829 1.368 3.381 1.00 0.00 C ATOM 485 OD1 ASP A 31 20.982 1.204 2.150 1.00 0.00 O ATOM 486 OD2 ASP A 31 21.795 1.488 4.169 1.00 0.00 O ATOM 0 H ASP A 31 17.182 1.095 4.949 1.00 0.00 H new ATOM 0 HA ASP A 31 18.522 -0.122 2.772 1.00 0.00 H new ATOM 0 HB2 ASP A 31 18.866 2.215 3.410 1.00 0.00 H new ATOM 0 HB3 ASP A 31 19.466 1.740 4.986 1.00 0.00 H new ATOM 491 N LYS A 32 19.286 -1.166 5.768 1.00 0.00 N ATOM 492 CA LYS A 32 20.025 -2.153 6.533 1.00 0.00 C ATOM 493 C LYS A 32 19.463 -3.559 6.341 1.00 0.00 C ATOM 494 O LYS A 32 20.210 -4.539 6.377 1.00 0.00 O ATOM 495 CB LYS A 32 20.036 -1.738 8.007 1.00 0.00 C ATOM 496 CG LYS A 32 21.220 -0.850 8.365 1.00 0.00 C ATOM 497 CD LYS A 32 21.263 0.374 7.468 1.00 0.00 C ATOM 498 CE LYS A 32 22.557 1.156 7.605 1.00 0.00 C ATOM 499 NZ LYS A 32 22.621 2.266 6.618 1.00 0.00 N ATOM 0 H LYS A 32 18.621 -0.622 6.318 1.00 0.00 H new ATOM 0 HA LYS A 32 21.051 -2.188 6.168 1.00 0.00 H new ATOM 0 HB2 LYS A 32 19.110 -1.211 8.237 1.00 0.00 H new ATOM 0 HB3 LYS A 32 20.057 -2.632 8.631 1.00 0.00 H new ATOM 0 HG2 LYS A 32 21.147 -0.541 9.408 1.00 0.00 H new ATOM 0 HG3 LYS A 32 22.147 -1.414 8.264 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.139 0.064 6.431 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.423 1.025 7.708 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.637 1.559 8.615 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.406 0.488 7.460 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 23.603 2.597 6.531 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 22.286 1.928 5.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.019 3.051 6.939 1.00 0.00 H new ATOM 513 N VAL A 33 18.162 -3.669 6.117 1.00 0.00 N ATOM 514 CA VAL A 33 17.565 -4.966 5.830 1.00 0.00 C ATOM 515 C VAL A 33 17.670 -5.300 4.345 1.00 0.00 C ATOM 516 O VAL A 33 17.583 -6.461 3.966 1.00 0.00 O ATOM 517 CB VAL A 33 16.090 -5.063 6.275 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.968 -4.845 7.775 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.212 -4.081 5.516 1.00 0.00 C ATOM 0 H VAL A 33 17.506 -2.888 6.128 1.00 0.00 H new ATOM 0 HA VAL A 33 18.133 -5.692 6.412 1.00 0.00 H new ATOM 0 HB VAL A 33 15.739 -6.068 6.040 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.921 -4.917 8.069 1.00 0.00 H new ATOM 0 HG12 VAL A 33 16.546 -5.605 8.301 1.00 0.00 H new ATOM 0 HG13 VAL A 33 16.350 -3.857 8.031 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.181 -4.178 5.855 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.561 -3.065 5.699 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.264 -4.296 4.449 1.00 0.00 H new ATOM 529 N ALA A 34 17.880 -4.278 3.509 1.00 0.00 N ATOM 530 CA ALA A 34 18.021 -4.474 2.064 1.00 0.00 C ATOM 531 C ALA A 34 19.215 -5.368 1.750 1.00 0.00 C ATOM 532 O ALA A 34 19.284 -5.991 0.687 1.00 0.00 O ATOM 533 CB ALA A 34 18.164 -3.133 1.350 1.00 0.00 C ATOM 0 H ALA A 34 17.956 -3.306 3.809 1.00 0.00 H new ATOM 0 HA ALA A 34 17.118 -4.967 1.703 1.00 0.00 H new ATOM 0 HB1 ALA A 34 18.267 -3.301 0.278 1.00 0.00 H new ATOM 0 HB2 ALA A 34 17.280 -2.524 1.538 1.00 0.00 H new ATOM 0 HB3 ALA A 34 19.047 -2.615 1.723 1.00 0.00 H new ATOM 539 N SER A 35 20.144 -5.436 2.691 1.00 0.00 N ATOM 540 CA SER A 35 21.301 -6.307 2.573 1.00 0.00 C ATOM 541 C SER A 35 20.861 -7.779 2.594 1.00 0.00 C ATOM 542 O SER A 35 21.539 -8.656 2.059 1.00 0.00 O ATOM 543 CB SER A 35 22.289 -6.001 3.712 1.00 0.00 C ATOM 544 OG SER A 35 23.404 -6.878 3.692 1.00 0.00 O ATOM 0 H SER A 35 20.117 -4.892 3.553 1.00 0.00 H new ATOM 0 HA SER A 35 21.802 -6.125 1.622 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.635 -4.971 3.626 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.777 -6.086 4.670 1.00 0.00 H new ATOM 0 HG SER A 35 24.010 -6.653 4.428 1.00 0.00 H new ATOM 550 N GLU A 36 19.700 -8.030 3.187 1.00 0.00 N ATOM 551 CA GLU A 36 19.153 -9.374 3.277 1.00 0.00 C ATOM 552 C GLU A 36 17.799 -9.435 2.578 1.00 0.00 C ATOM 553 O GLU A 36 16.917 -10.212 2.951 1.00 0.00 O ATOM 554 CB GLU A 36 19.012 -9.773 4.740 1.00 0.00 C ATOM 555 CG GLU A 36 20.187 -9.320 5.579 1.00 0.00 C ATOM 556 CD GLU A 36 20.368 -10.145 6.825 1.00 0.00 C ATOM 557 OE1 GLU A 36 19.700 -9.858 7.842 1.00 0.00 O ATOM 558 OE2 GLU A 36 21.202 -11.075 6.803 1.00 0.00 O ATOM 0 H GLU A 36 19.116 -7.312 3.616 1.00 0.00 H new ATOM 0 HA GLU A 36 19.830 -10.071 2.784 1.00 0.00 H new ATOM 0 HB2 GLU A 36 18.095 -9.344 5.144 1.00 0.00 H new ATOM 0 HB3 GLU A 36 18.915 -10.856 4.810 1.00 0.00 H new ATOM 0 HG2 GLU A 36 21.096 -9.371 4.980 1.00 0.00 H new ATOM 0 HG3 GLU A 36 20.047 -8.276 5.858 1.00 0.00 H new ATOM 565 N TYR A 37 17.662 -8.629 1.537 1.00 0.00 N ATOM 566 CA TYR A 37 16.433 -8.566 0.762 1.00 0.00 C ATOM 567 C TYR A 37 16.742 -8.569 -0.724 1.00 0.00 C ATOM 568 O TYR A 37 17.862 -8.260 -1.139 1.00 0.00 O ATOM 569 CB TYR A 37 15.602 -7.331 1.121 1.00 0.00 C ATOM 570 CG TYR A 37 14.623 -7.562 2.254 1.00 0.00 C ATOM 571 CD1 TYR A 37 15.061 -7.836 3.541 1.00 0.00 C ATOM 572 CD2 TYR A 37 13.254 -7.519 2.027 1.00 0.00 C ATOM 573 CE1 TYR A 37 14.169 -8.061 4.569 1.00 0.00 C ATOM 574 CE2 TYR A 37 12.355 -7.744 3.049 1.00 0.00 C ATOM 575 CZ TYR A 37 12.817 -8.014 4.317 1.00 0.00 C ATOM 576 OH TYR A 37 11.922 -8.247 5.335 1.00 0.00 O ATOM 0 H TYR A 37 18.396 -8.003 1.207 1.00 0.00 H new ATOM 0 HA TYR A 37 15.845 -9.450 1.008 1.00 0.00 H new ATOM 0 HB2 TYR A 37 16.275 -6.518 1.395 1.00 0.00 H new ATOM 0 HB3 TYR A 37 15.052 -7.005 0.238 1.00 0.00 H new ATOM 0 HD1 TYR A 37 16.121 -7.874 3.742 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.887 -7.306 1.034 1.00 0.00 H new ATOM 0 HE1 TYR A 37 14.529 -8.273 5.565 1.00 0.00 H new ATOM 0 HE2 TYR A 37 11.293 -7.708 2.855 1.00 0.00 H new ATOM 0 HH TYR A 37 11.029 -7.953 5.059 1.00 0.00 H new ATOM 586 N THR A 38 15.740 -8.893 -1.511 1.00 0.00 N ATOM 587 CA THR A 38 15.910 -9.108 -2.933 1.00 0.00 C ATOM 588 C THR A 38 15.027 -8.140 -3.715 1.00 0.00 C ATOM 589 O THR A 38 13.991 -7.696 -3.224 1.00 0.00 O ATOM 590 CB THR A 38 15.558 -10.569 -3.301 1.00 0.00 C ATOM 591 OG1 THR A 38 16.253 -11.469 -2.430 1.00 0.00 O ATOM 592 CG2 THR A 38 15.923 -10.891 -4.746 1.00 0.00 C ATOM 0 H THR A 38 14.782 -9.015 -1.183 1.00 0.00 H new ATOM 0 HA THR A 38 16.952 -8.926 -3.194 1.00 0.00 H new ATOM 0 HB THR A 38 14.481 -10.688 -3.186 1.00 0.00 H new ATOM 0 HG1 THR A 38 17.053 -11.028 -2.075 1.00 0.00 H new ATOM 0 HG21 THR A 38 15.660 -11.926 -4.966 1.00 0.00 H new ATOM 0 HG22 THR A 38 15.376 -10.228 -5.416 1.00 0.00 H new ATOM 0 HG23 THR A 38 16.994 -10.750 -4.891 1.00 0.00 H new ATOM 600 N LYS A 39 15.443 -7.813 -4.923 1.00 0.00 N ATOM 601 CA LYS A 39 14.709 -6.880 -5.756 1.00 0.00 C ATOM 602 C LYS A 39 13.835 -7.637 -6.743 1.00 0.00 C ATOM 603 O LYS A 39 14.334 -8.419 -7.552 1.00 0.00 O ATOM 604 CB LYS A 39 15.672 -5.971 -6.524 1.00 0.00 C ATOM 605 CG LYS A 39 14.965 -4.959 -7.411 1.00 0.00 C ATOM 606 CD LYS A 39 14.706 -3.654 -6.676 1.00 0.00 C ATOM 607 CE LYS A 39 15.998 -2.873 -6.493 1.00 0.00 C ATOM 608 NZ LYS A 39 15.783 -1.589 -5.782 1.00 0.00 N ATOM 0 H LYS A 39 16.291 -8.183 -5.352 1.00 0.00 H new ATOM 0 HA LYS A 39 14.081 -6.266 -5.110 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.305 -5.441 -5.813 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.329 -6.586 -7.139 1.00 0.00 H new ATOM 0 HG2 LYS A 39 15.571 -4.765 -8.296 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.019 -5.376 -7.757 1.00 0.00 H new ATOM 0 HD2 LYS A 39 13.988 -3.053 -7.234 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.260 -3.861 -5.703 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.711 -3.480 -5.935 1.00 0.00 H new ATOM 0 HE3 LYS A 39 16.442 -2.676 -7.469 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 16.619 -0.982 -5.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 14.949 -1.109 -6.176 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.630 -1.774 -4.770 1.00 0.00 H new ATOM 622 N ILE A 40 12.536 -7.413 -6.662 1.00 0.00 N ATOM 623 CA ILE A 40 11.606 -7.990 -7.623 1.00 0.00 C ATOM 624 C ILE A 40 11.201 -6.949 -8.659 1.00 0.00 C ATOM 625 O ILE A 40 10.467 -7.242 -9.602 1.00 0.00 O ATOM 626 CB ILE A 40 10.346 -8.569 -6.945 1.00 0.00 C ATOM 627 CG1 ILE A 40 9.674 -7.522 -6.054 1.00 0.00 C ATOM 628 CG2 ILE A 40 10.711 -9.807 -6.139 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.398 -8.008 -5.399 1.00 0.00 C ATOM 0 H ILE A 40 12.099 -6.837 -5.943 1.00 0.00 H new ATOM 0 HA ILE A 40 12.125 -8.814 -8.113 1.00 0.00 H new ATOM 0 HB ILE A 40 9.635 -8.852 -7.721 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.375 -7.214 -5.279 1.00 0.00 H new ATOM 0 HG13 ILE A 40 9.451 -6.638 -6.652 1.00 0.00 H new ATOM 0 HG21 ILE A 40 9.816 -10.209 -5.664 1.00 0.00 H new ATOM 0 HG22 ILE A 40 11.139 -10.559 -6.801 1.00 0.00 H new ATOM 0 HG23 ILE A 40 11.440 -9.541 -5.373 1.00 0.00 H new ATOM 0 HD11 ILE A 40 7.979 -7.212 -4.783 1.00 0.00 H new ATOM 0 HD12 ILE A 40 7.678 -8.289 -6.168 1.00 0.00 H new ATOM 0 HD13 ILE A 40 8.617 -8.873 -4.773 1.00 0.00 H new ATOM 641 N GLY A 41 11.678 -5.727 -8.461 1.00 0.00 N ATOM 642 CA GLY A 41 11.441 -4.673 -9.421 1.00 0.00 C ATOM 643 C GLY A 41 10.953 -3.402 -8.767 1.00 0.00 C ATOM 644 O GLY A 41 10.578 -3.405 -7.597 1.00 0.00 O ATOM 0 H GLY A 41 12.227 -5.449 -7.648 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.362 -4.468 -9.967 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.705 -5.009 -10.152 1.00 0.00 H new ATOM 648 N THR A 42 10.990 -2.312 -9.509 1.00 0.00 N ATOM 649 CA THR A 42 10.438 -1.055 -9.046 1.00 0.00 C ATOM 650 C THR A 42 9.125 -0.787 -9.772 1.00 0.00 C ATOM 651 O THR A 42 8.961 -1.157 -10.937 1.00 0.00 O ATOM 652 CB THR A 42 11.418 0.109 -9.297 1.00 0.00 C ATOM 653 OG1 THR A 42 12.744 -0.261 -8.871 1.00 0.00 O ATOM 654 CG2 THR A 42 10.989 1.371 -8.565 1.00 0.00 C ATOM 0 H THR A 42 11.400 -2.273 -10.442 1.00 0.00 H new ATOM 0 HA THR A 42 10.264 -1.126 -7.972 1.00 0.00 H new ATOM 0 HB THR A 42 11.415 0.316 -10.367 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.821 -0.142 -7.901 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.704 2.169 -8.766 1.00 0.00 H new ATOM 0 HG22 THR A 42 10.001 1.674 -8.910 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.955 1.176 -7.493 1.00 0.00 H new ATOM 662 N ILE A 43 8.197 -0.150 -9.089 1.00 0.00 N ATOM 663 CA ILE A 43 6.888 0.137 -9.661 1.00 0.00 C ATOM 664 C ILE A 43 6.731 1.638 -9.852 1.00 0.00 C ATOM 665 O ILE A 43 7.505 2.416 -9.300 1.00 0.00 O ATOM 666 CB ILE A 43 5.735 -0.404 -8.784 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.800 0.192 -7.375 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.770 -1.931 -8.733 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.731 -0.332 -6.441 1.00 0.00 C ATOM 0 H ILE A 43 8.321 0.182 -8.133 1.00 0.00 H new ATOM 0 HA ILE A 43 6.831 -0.371 -10.624 1.00 0.00 H new ATOM 0 HB ILE A 43 4.790 -0.101 -9.234 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.780 -0.019 -6.946 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.709 1.276 -7.444 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.951 -2.293 -8.111 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.664 -2.331 -9.741 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.719 -2.259 -8.310 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.841 0.136 -5.463 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.747 -0.097 -6.846 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.834 -1.412 -6.340 1.00 0.00 H new ATOM 681 N SER A 44 5.747 2.050 -10.633 1.00 0.00 N ATOM 682 CA SER A 44 5.577 3.454 -10.939 1.00 0.00 C ATOM 683 C SER A 44 4.123 3.817 -11.211 1.00 0.00 C ATOM 684 O SER A 44 3.247 2.950 -11.280 1.00 0.00 O ATOM 685 CB SER A 44 6.429 3.803 -12.152 1.00 0.00 C ATOM 686 OG SER A 44 6.359 2.787 -13.142 1.00 0.00 O ATOM 0 H SER A 44 5.058 1.433 -11.063 1.00 0.00 H new ATOM 0 HA SER A 44 5.894 4.028 -10.068 1.00 0.00 H new ATOM 0 HB2 SER A 44 6.093 4.750 -12.575 1.00 0.00 H new ATOM 0 HB3 SER A 44 7.465 3.942 -11.843 1.00 0.00 H new ATOM 0 HG SER A 44 6.914 3.039 -13.909 1.00 0.00 H new ATOM 692 N THR A 45 3.883 5.113 -11.352 1.00 0.00 N ATOM 693 CA THR A 45 2.583 5.625 -11.742 1.00 0.00 C ATOM 694 C THR A 45 2.732 6.480 -12.995 1.00 0.00 C ATOM 695 O THR A 45 3.653 7.295 -13.087 1.00 0.00 O ATOM 696 CB THR A 45 1.935 6.468 -10.622 1.00 0.00 C ATOM 697 OG1 THR A 45 2.811 7.532 -10.221 1.00 0.00 O ATOM 698 CG2 THR A 45 1.592 5.605 -9.421 1.00 0.00 C ATOM 0 H THR A 45 4.586 5.836 -11.199 1.00 0.00 H new ATOM 0 HA THR A 45 1.933 4.772 -11.937 1.00 0.00 H new ATOM 0 HB THR A 45 1.014 6.895 -11.018 1.00 0.00 H new ATOM 0 HG1 THR A 45 2.384 8.057 -9.512 1.00 0.00 H new ATOM 0 HG21 THR A 45 1.137 6.223 -8.647 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.892 4.826 -9.721 1.00 0.00 H new ATOM 0 HG23 THR A 45 2.501 5.146 -9.031 1.00 0.00 H new ATOM 706 N THR A 46 1.847 6.299 -13.961 1.00 0.00 N ATOM 707 CA THR A 46 1.952 7.038 -15.205 1.00 0.00 C ATOM 708 C THR A 46 0.635 7.726 -15.548 1.00 0.00 C ATOM 709 O THR A 46 -0.446 7.252 -15.182 1.00 0.00 O ATOM 710 CB THR A 46 2.399 6.121 -16.366 1.00 0.00 C ATOM 711 OG1 THR A 46 2.583 6.892 -17.561 1.00 0.00 O ATOM 712 CG2 THR A 46 1.384 5.014 -16.622 1.00 0.00 C ATOM 0 H THR A 46 1.058 5.655 -13.909 1.00 0.00 H new ATOM 0 HA THR A 46 2.714 7.805 -15.065 1.00 0.00 H new ATOM 0 HB THR A 46 3.344 5.659 -16.080 1.00 0.00 H new ATOM 0 HG1 THR A 46 2.868 6.302 -18.290 1.00 0.00 H new ATOM 0 HG21 THR A 46 1.729 4.387 -17.444 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.274 4.406 -15.724 1.00 0.00 H new ATOM 0 HG23 THR A 46 0.422 5.456 -16.881 1.00 0.00 H new ATOM 720 N GLY A 47 0.744 8.858 -16.229 1.00 0.00 N ATOM 721 CA GLY A 47 -0.414 9.610 -16.636 1.00 0.00 C ATOM 722 C GLY A 47 -0.733 10.700 -15.652 1.00 0.00 C ATOM 723 O GLY A 47 -0.046 11.720 -15.583 1.00 0.00 O ATOM 0 H GLY A 47 1.634 9.271 -16.509 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -0.240 10.045 -17.620 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -1.269 8.941 -16.730 1.00 0.00 H new ATOM 727 N GLU A 48 -1.750 10.441 -14.871 1.00 0.00 N ATOM 728 CA GLU A 48 -2.236 11.377 -13.868 1.00 0.00 C ATOM 729 C GLU A 48 -3.116 10.641 -12.863 1.00 0.00 C ATOM 730 O GLU A 48 -4.037 9.913 -13.239 1.00 0.00 O ATOM 731 CB GLU A 48 -2.997 12.534 -14.529 1.00 0.00 C ATOM 732 CG GLU A 48 -4.097 12.094 -15.483 1.00 0.00 C ATOM 733 CD GLU A 48 -4.737 13.259 -16.211 1.00 0.00 C ATOM 734 OE1 GLU A 48 -5.691 13.852 -15.669 1.00 0.00 O ATOM 735 OE2 GLU A 48 -4.287 13.586 -17.334 1.00 0.00 O ATOM 0 H GLU A 48 -2.275 9.567 -14.907 1.00 0.00 H new ATOM 0 HA GLU A 48 -1.385 11.805 -13.337 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.436 13.157 -13.750 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -2.287 13.157 -15.074 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -3.683 11.398 -16.212 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -4.862 11.554 -14.925 1.00 0.00 H new ATOM 742 N MET A 49 -2.815 10.809 -11.586 1.00 0.00 N ATOM 743 CA MET A 49 -3.501 10.066 -10.538 1.00 0.00 C ATOM 744 C MET A 49 -3.731 10.951 -9.323 1.00 0.00 C ATOM 745 O MET A 49 -3.211 12.062 -9.246 1.00 0.00 O ATOM 746 CB MET A 49 -2.671 8.843 -10.118 1.00 0.00 C ATOM 747 CG MET A 49 -2.490 7.793 -11.207 1.00 0.00 C ATOM 748 SD MET A 49 -3.993 6.847 -11.529 1.00 0.00 S ATOM 749 CE MET A 49 -4.197 6.000 -9.963 1.00 0.00 C ATOM 0 H MET A 49 -2.100 11.453 -11.248 1.00 0.00 H new ATOM 0 HA MET A 49 -4.462 9.735 -10.932 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.688 9.182 -9.792 1.00 0.00 H new ATOM 0 HB3 MET A 49 -3.148 8.375 -9.257 1.00 0.00 H new ATOM 0 HG2 MET A 49 -2.171 8.283 -12.127 1.00 0.00 H new ATOM 0 HG3 MET A 49 -1.692 7.110 -10.916 1.00 0.00 H new ATOM 0 HE1 MET A 49 -4.842 5.132 -10.100 1.00 0.00 H new ATOM 0 HE2 MET A 49 -3.224 5.675 -9.596 1.00 0.00 H new ATOM 0 HE3 MET A 49 -4.650 6.678 -9.239 1.00 0.00 H new ATOM 759 N SER A 50 -4.527 10.461 -8.391 1.00 0.00 N ATOM 760 CA SER A 50 -4.665 11.099 -7.097 1.00 0.00 C ATOM 761 C SER A 50 -3.561 10.559 -6.193 1.00 0.00 C ATOM 762 O SER A 50 -3.227 9.378 -6.282 1.00 0.00 O ATOM 763 CB SER A 50 -6.052 10.798 -6.516 1.00 0.00 C ATOM 764 OG SER A 50 -6.296 11.535 -5.328 1.00 0.00 O ATOM 0 H SER A 50 -5.090 9.619 -8.508 1.00 0.00 H new ATOM 0 HA SER A 50 -4.571 12.182 -7.183 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.816 11.037 -7.256 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.135 9.732 -6.306 1.00 0.00 H new ATOM 0 HG SER A 50 -7.189 11.319 -4.987 1.00 0.00 H new ATOM 770 N PRO A 51 -2.981 11.395 -5.314 1.00 0.00 N ATOM 771 CA PRO A 51 -1.813 11.007 -4.518 1.00 0.00 C ATOM 772 C PRO A 51 -2.059 9.758 -3.681 1.00 0.00 C ATOM 773 O PRO A 51 -1.345 8.768 -3.812 1.00 0.00 O ATOM 774 CB PRO A 51 -1.549 12.221 -3.616 1.00 0.00 C ATOM 775 CG PRO A 51 -2.787 13.047 -3.689 1.00 0.00 C ATOM 776 CD PRO A 51 -3.397 12.777 -5.035 1.00 0.00 C ATOM 0 HA PRO A 51 -0.967 10.754 -5.157 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.344 11.911 -2.591 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -0.681 12.784 -3.959 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.478 12.782 -2.889 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.555 14.106 -3.573 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.482 12.875 -5.014 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.029 13.470 -5.792 1.00 0.00 H new ATOM 784 N LEU A 52 -3.092 9.792 -2.852 1.00 0.00 N ATOM 785 CA LEU A 52 -3.391 8.675 -1.963 1.00 0.00 C ATOM 786 C LEU A 52 -3.913 7.478 -2.745 1.00 0.00 C ATOM 787 O LEU A 52 -3.649 6.329 -2.388 1.00 0.00 O ATOM 788 CB LEU A 52 -4.387 9.113 -0.882 1.00 0.00 C ATOM 789 CG LEU A 52 -5.681 9.755 -1.389 1.00 0.00 C ATOM 790 CD1 LEU A 52 -6.760 8.710 -1.633 1.00 0.00 C ATOM 791 CD2 LEU A 52 -6.168 10.809 -0.410 1.00 0.00 C ATOM 0 H LEU A 52 -3.737 10.578 -2.775 1.00 0.00 H new ATOM 0 HA LEU A 52 -2.468 8.364 -1.473 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -4.647 8.242 -0.280 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.888 9.820 -0.220 1.00 0.00 H new ATOM 0 HG LEU A 52 -5.465 10.237 -2.343 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -7.665 9.199 -1.992 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.413 7.996 -2.380 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.976 8.186 -0.702 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -7.089 11.256 -0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -6.357 10.346 0.558 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.408 11.582 -0.300 1.00 0.00 H new ATOM 803 N ASP A 53 -4.621 7.753 -3.830 1.00 0.00 N ATOM 804 CA ASP A 53 -5.185 6.695 -4.658 1.00 0.00 C ATOM 805 C ASP A 53 -4.071 5.934 -5.361 1.00 0.00 C ATOM 806 O ASP A 53 -4.107 4.709 -5.464 1.00 0.00 O ATOM 807 CB ASP A 53 -6.164 7.275 -5.682 1.00 0.00 C ATOM 808 CG ASP A 53 -6.839 6.206 -6.523 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.602 5.394 -5.961 1.00 0.00 O ATOM 810 OD2 ASP A 53 -6.623 6.188 -7.751 1.00 0.00 O ATOM 0 H ASP A 53 -4.819 8.698 -4.158 1.00 0.00 H new ATOM 0 HA ASP A 53 -5.732 6.005 -4.016 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -6.926 7.856 -5.161 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -5.631 7.964 -6.338 1.00 0.00 H new ATOM 815 N ALA A 54 -3.064 6.670 -5.817 1.00 0.00 N ATOM 816 CA ALA A 54 -1.902 6.066 -6.445 1.00 0.00 C ATOM 817 C ALA A 54 -1.078 5.299 -5.424 1.00 0.00 C ATOM 818 O ALA A 54 -0.548 4.233 -5.727 1.00 0.00 O ATOM 819 CB ALA A 54 -1.048 7.119 -7.127 1.00 0.00 C ATOM 0 H ALA A 54 -3.032 7.688 -5.762 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.255 5.366 -7.203 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.184 6.643 -7.590 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.637 7.625 -7.892 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -0.709 7.847 -6.389 1.00 0.00 H new ATOM 825 N ARG A 55 -0.978 5.838 -4.207 1.00 0.00 N ATOM 826 CA ARG A 55 -0.277 5.157 -3.133 1.00 0.00 C ATOM 827 C ARG A 55 -0.894 3.793 -2.911 1.00 0.00 C ATOM 828 O ARG A 55 -0.222 2.776 -3.033 1.00 0.00 O ATOM 829 CB ARG A 55 -0.359 5.951 -1.827 1.00 0.00 C ATOM 830 CG ARG A 55 0.319 7.309 -1.857 1.00 0.00 C ATOM 831 CD ARG A 55 0.247 7.961 -0.484 1.00 0.00 C ATOM 832 NE ARG A 55 0.238 9.420 -0.552 1.00 0.00 N ATOM 833 CZ ARG A 55 -0.625 10.181 0.126 1.00 0.00 C ATOM 834 NH1 ARG A 55 -1.553 9.622 0.894 1.00 0.00 N ATOM 835 NH2 ARG A 55 -0.574 11.500 0.022 1.00 0.00 N ATOM 0 H ARG A 55 -1.374 6.741 -3.948 1.00 0.00 H new ATOM 0 HA ARG A 55 0.770 5.061 -3.422 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.409 6.092 -1.570 1.00 0.00 H new ATOM 0 HB3 ARG A 55 0.087 5.357 -1.030 1.00 0.00 H new ATOM 0 HG2 ARG A 55 1.360 7.198 -2.161 1.00 0.00 H new ATOM 0 HG3 ARG A 55 -0.163 7.948 -2.597 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.652 7.620 0.029 1.00 0.00 H new ATOM 0 HD3 ARG A 55 1.098 7.635 0.114 1.00 0.00 H new ATOM 0 HE ARG A 55 0.926 9.881 -1.148 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.609 8.606 0.968 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -2.209 10.208 1.409 1.00 0.00 H new ATOM 0 HH21 ARG A 55 0.126 11.938 -0.577 1.00 0.00 H new ATOM 0 HH22 ARG A 55 -1.235 12.078 0.541 1.00 0.00 H new ATOM 849 N GLU A 56 -2.187 3.782 -2.625 1.00 0.00 N ATOM 850 CA GLU A 56 -2.893 2.552 -2.318 1.00 0.00 C ATOM 851 C GLU A 56 -2.842 1.576 -3.487 1.00 0.00 C ATOM 852 O GLU A 56 -2.731 0.367 -3.282 1.00 0.00 O ATOM 853 CB GLU A 56 -4.339 2.853 -1.923 1.00 0.00 C ATOM 854 CG GLU A 56 -4.442 3.668 -0.642 1.00 0.00 C ATOM 855 CD GLU A 56 -5.868 3.998 -0.255 1.00 0.00 C ATOM 856 OE1 GLU A 56 -6.523 3.156 0.400 1.00 0.00 O ATOM 857 OE2 GLU A 56 -6.331 5.113 -0.573 1.00 0.00 O ATOM 0 H GLU A 56 -2.770 4.618 -2.600 1.00 0.00 H new ATOM 0 HA GLU A 56 -2.394 2.078 -1.473 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -4.827 3.395 -2.733 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -4.879 1.915 -1.796 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -3.971 3.115 0.171 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -3.882 4.595 -0.764 1.00 0.00 H new ATOM 864 N ASP A 57 -2.894 2.097 -4.710 1.00 0.00 N ATOM 865 CA ASP A 57 -2.800 1.249 -5.895 1.00 0.00 C ATOM 866 C ASP A 57 -1.415 0.625 -5.985 1.00 0.00 C ATOM 867 O ASP A 57 -1.277 -0.560 -6.268 1.00 0.00 O ATOM 868 CB ASP A 57 -3.097 2.042 -7.170 1.00 0.00 C ATOM 869 CG ASP A 57 -3.069 1.172 -8.417 1.00 0.00 C ATOM 870 OD1 ASP A 57 -4.063 0.457 -8.671 1.00 0.00 O ATOM 871 OD2 ASP A 57 -2.059 1.205 -9.153 1.00 0.00 O ATOM 0 H ASP A 57 -3.000 3.092 -4.906 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.546 0.460 -5.803 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.076 2.513 -7.081 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.366 2.844 -7.274 1.00 0.00 H new ATOM 876 N LEU A 58 -0.397 1.433 -5.715 1.00 0.00 N ATOM 877 CA LEU A 58 0.985 0.973 -5.732 1.00 0.00 C ATOM 878 C LEU A 58 1.235 -0.051 -4.629 1.00 0.00 C ATOM 879 O LEU A 58 1.834 -1.101 -4.865 1.00 0.00 O ATOM 880 CB LEU A 58 1.930 2.165 -5.558 1.00 0.00 C ATOM 881 CG LEU A 58 2.130 3.039 -6.801 1.00 0.00 C ATOM 882 CD1 LEU A 58 3.155 4.128 -6.517 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.561 2.191 -7.991 1.00 0.00 C ATOM 0 H LEU A 58 -0.505 2.420 -5.480 1.00 0.00 H new ATOM 0 HA LEU A 58 1.175 0.494 -6.692 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.550 2.793 -4.752 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.903 1.791 -5.239 1.00 0.00 H new ATOM 0 HG LEU A 58 1.180 3.512 -7.050 1.00 0.00 H new ATOM 0 HD11 LEU A 58 3.289 4.743 -7.407 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.805 4.752 -5.695 1.00 0.00 H new ATOM 0 HD13 LEU A 58 4.106 3.670 -6.246 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.698 2.831 -8.863 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.500 1.689 -7.759 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.794 1.446 -8.204 1.00 0.00 H new ATOM 895 N ILE A 59 0.757 0.263 -3.433 1.00 0.00 N ATOM 896 CA ILE A 59 0.969 -0.570 -2.258 1.00 0.00 C ATOM 897 C ILE A 59 0.376 -1.972 -2.447 1.00 0.00 C ATOM 898 O ILE A 59 1.056 -2.977 -2.223 1.00 0.00 O ATOM 899 CB ILE A 59 0.362 0.100 -1.004 1.00 0.00 C ATOM 900 CG1 ILE A 59 1.078 1.428 -0.718 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.455 -0.828 0.201 1.00 0.00 C ATOM 902 CD1 ILE A 59 0.277 2.400 0.125 1.00 0.00 C ATOM 0 H ILE A 59 0.210 1.104 -3.250 1.00 0.00 H new ATOM 0 HA ILE A 59 2.045 -0.677 -2.119 1.00 0.00 H new ATOM 0 HB ILE A 59 -0.692 0.303 -1.194 1.00 0.00 H new ATOM 0 HG12 ILE A 59 2.020 1.218 -0.212 1.00 0.00 H new ATOM 0 HG13 ILE A 59 1.325 1.906 -1.666 1.00 0.00 H new ATOM 0 HG21 ILE A 59 0.022 -0.337 1.073 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.091 -1.748 -0.006 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.501 -1.063 0.399 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.856 3.311 0.279 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -0.654 2.644 -0.387 1.00 0.00 H new ATOM 0 HD13 ILE A 59 0.052 1.945 1.090 1.00 0.00 H new ATOM 914 N LYS A 60 -0.882 -2.041 -2.881 1.00 0.00 N ATOM 915 CA LYS A 60 -1.541 -3.329 -3.080 1.00 0.00 C ATOM 916 C LYS A 60 -0.916 -4.087 -4.248 1.00 0.00 C ATOM 917 O LYS A 60 -0.758 -5.301 -4.185 1.00 0.00 O ATOM 918 CB LYS A 60 -3.047 -3.151 -3.295 1.00 0.00 C ATOM 919 CG LYS A 60 -3.392 -2.306 -4.503 1.00 0.00 C ATOM 920 CD LYS A 60 -4.891 -2.093 -4.640 1.00 0.00 C ATOM 921 CE LYS A 60 -5.217 -1.127 -5.770 1.00 0.00 C ATOM 922 NZ LYS A 60 -4.792 -1.646 -7.100 1.00 0.00 N ATOM 0 H LYS A 60 -1.459 -1.229 -3.099 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.397 -3.919 -2.175 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.508 -4.132 -3.405 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.481 -2.693 -2.406 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -2.894 -1.340 -4.423 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.011 -2.788 -5.403 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.380 -3.049 -4.825 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.292 -1.707 -3.703 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -6.290 -0.936 -5.783 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -4.726 -0.172 -5.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -4.172 -0.950 -7.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -4.276 -2.540 -6.975 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -5.631 -1.810 -7.693 1.00 0.00 H new ATOM 936 N LYS A 61 -0.541 -3.354 -5.293 1.00 0.00 N ATOM 937 CA LYS A 61 0.073 -3.930 -6.484 1.00 0.00 C ATOM 938 C LYS A 61 1.418 -4.570 -6.157 1.00 0.00 C ATOM 939 O LYS A 61 1.723 -5.673 -6.611 1.00 0.00 O ATOM 940 CB LYS A 61 0.255 -2.822 -7.519 1.00 0.00 C ATOM 941 CG LYS A 61 -0.099 -3.238 -8.926 1.00 0.00 C ATOM 942 CD LYS A 61 -0.490 -2.036 -9.777 1.00 0.00 C ATOM 943 CE LYS A 61 0.566 -0.942 -9.748 1.00 0.00 C ATOM 944 NZ LYS A 61 0.104 0.290 -10.441 1.00 0.00 N ATOM 0 H LYS A 61 -0.655 -2.341 -5.337 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.575 -4.713 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.362 -1.969 -7.236 1.00 0.00 H new ATOM 0 HB3 LYS A 61 1.292 -2.486 -7.499 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.750 -3.748 -9.381 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -0.923 -3.951 -8.900 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -0.648 -2.358 -10.806 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.438 -1.633 -9.420 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.816 -0.705 -8.714 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.478 -1.305 -10.221 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.903 0.947 -10.550 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.270 0.041 -11.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.644 0.744 -9.880 1.00 0.00 H new ATOM 958 N ALA A 62 2.222 -3.868 -5.372 1.00 0.00 N ATOM 959 CA ALA A 62 3.509 -4.386 -4.931 1.00 0.00 C ATOM 960 C ALA A 62 3.322 -5.636 -4.083 1.00 0.00 C ATOM 961 O ALA A 62 4.008 -6.639 -4.272 1.00 0.00 O ATOM 962 CB ALA A 62 4.260 -3.323 -4.152 1.00 0.00 C ATOM 0 H ALA A 62 2.004 -2.934 -5.026 1.00 0.00 H new ATOM 0 HA ALA A 62 4.095 -4.655 -5.810 1.00 0.00 H new ATOM 0 HB1 ALA A 62 5.221 -3.721 -3.827 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.424 -2.453 -4.788 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.675 -3.030 -3.280 1.00 0.00 H new ATOM 968 N ASP A 63 2.372 -5.568 -3.161 1.00 0.00 N ATOM 969 CA ASP A 63 2.046 -6.703 -2.305 1.00 0.00 C ATOM 970 C ASP A 63 1.508 -7.861 -3.145 1.00 0.00 C ATOM 971 O ASP A 63 1.819 -9.023 -2.889 1.00 0.00 O ATOM 972 CB ASP A 63 1.013 -6.283 -1.255 1.00 0.00 C ATOM 973 CG ASP A 63 0.616 -7.416 -0.330 1.00 0.00 C ATOM 974 OD1 ASP A 63 1.305 -7.631 0.690 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.405 -8.077 -0.605 1.00 0.00 O ATOM 0 H ASP A 63 1.810 -4.735 -2.985 1.00 0.00 H new ATOM 0 HA ASP A 63 2.951 -7.035 -1.797 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.418 -5.462 -0.663 1.00 0.00 H new ATOM 0 HB3 ASP A 63 0.124 -5.904 -1.759 1.00 0.00 H new ATOM 980 N GLU A 64 0.724 -7.524 -4.164 1.00 0.00 N ATOM 981 CA GLU A 64 0.159 -8.504 -5.091 1.00 0.00 C ATOM 982 C GLU A 64 1.253 -9.256 -5.837 1.00 0.00 C ATOM 983 O GLU A 64 1.123 -10.450 -6.108 1.00 0.00 O ATOM 984 CB GLU A 64 -0.775 -7.805 -6.086 1.00 0.00 C ATOM 985 CG GLU A 64 -2.215 -7.741 -5.629 1.00 0.00 C ATOM 986 CD GLU A 64 -3.090 -6.931 -6.560 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.405 -7.421 -7.668 1.00 0.00 O ATOM 988 OE2 GLU A 64 -3.467 -5.803 -6.193 1.00 0.00 O ATOM 0 H GLU A 64 0.461 -6.561 -4.373 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.410 -9.230 -4.511 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -0.413 -6.792 -6.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -0.730 -8.328 -7.041 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.613 -8.753 -5.553 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.255 -7.307 -4.630 1.00 0.00 H new ATOM 995 N LYS A 65 2.330 -8.557 -6.156 1.00 0.00 N ATOM 996 CA LYS A 65 3.457 -9.159 -6.851 1.00 0.00 C ATOM 997 C LYS A 65 4.394 -9.873 -5.880 1.00 0.00 C ATOM 998 O LYS A 65 5.447 -10.371 -6.275 1.00 0.00 O ATOM 999 CB LYS A 65 4.209 -8.099 -7.659 1.00 0.00 C ATOM 1000 CG LYS A 65 3.628 -7.892 -9.048 1.00 0.00 C ATOM 1001 CD LYS A 65 4.190 -6.655 -9.730 1.00 0.00 C ATOM 1002 CE LYS A 65 3.881 -6.648 -11.222 1.00 0.00 C ATOM 1003 NZ LYS A 65 2.437 -6.879 -11.511 1.00 0.00 N ATOM 0 H LYS A 65 2.448 -7.566 -5.943 1.00 0.00 H new ATOM 0 HA LYS A 65 3.069 -9.910 -7.539 1.00 0.00 H new ATOM 0 HB2 LYS A 65 4.188 -7.153 -7.117 1.00 0.00 H new ATOM 0 HB3 LYS A 65 5.255 -8.392 -7.748 1.00 0.00 H new ATOM 0 HG2 LYS A 65 3.837 -8.769 -9.661 1.00 0.00 H new ATOM 0 HG3 LYS A 65 2.544 -7.804 -8.977 1.00 0.00 H new ATOM 0 HD2 LYS A 65 3.771 -5.762 -9.267 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.269 -6.615 -9.581 1.00 0.00 H new ATOM 0 HE2 LYS A 65 4.184 -5.691 -11.647 1.00 0.00 H new ATOM 0 HE3 LYS A 65 4.474 -7.418 -11.715 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 2.258 -6.731 -12.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 2.183 -7.854 -11.254 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 1.861 -6.214 -10.957 1.00 0.00 H new ATOM 1017 N GLY A 66 4.002 -9.919 -4.613 1.00 0.00 N ATOM 1018 CA GLY A 66 4.743 -10.687 -3.634 1.00 0.00 C ATOM 1019 C GLY A 66 5.962 -9.962 -3.107 1.00 0.00 C ATOM 1020 O GLY A 66 7.097 -10.382 -3.340 1.00 0.00 O ATOM 0 H GLY A 66 3.182 -9.436 -4.246 1.00 0.00 H new ATOM 0 HA2 GLY A 66 4.085 -10.932 -2.800 1.00 0.00 H new ATOM 0 HA3 GLY A 66 5.055 -11.631 -4.082 1.00 0.00 H new ATOM 1024 N ALA A 67 5.723 -8.880 -2.391 1.00 0.00 N ATOM 1025 CA ALA A 67 6.792 -8.112 -1.770 1.00 0.00 C ATOM 1026 C ALA A 67 6.697 -8.208 -0.253 1.00 0.00 C ATOM 1027 O ALA A 67 5.642 -8.525 0.293 1.00 0.00 O ATOM 1028 CB ALA A 67 6.732 -6.655 -2.215 1.00 0.00 C ATOM 0 H ALA A 67 4.788 -8.508 -2.222 1.00 0.00 H new ATOM 0 HA ALA A 67 7.748 -8.529 -2.087 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.539 -6.096 -1.741 1.00 0.00 H new ATOM 0 HB2 ALA A 67 6.841 -6.601 -3.298 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.773 -6.225 -1.925 1.00 0.00 H new ATOM 1034 N ASP A 68 7.808 -7.951 0.414 1.00 0.00 N ATOM 1035 CA ASP A 68 7.850 -7.941 1.870 1.00 0.00 C ATOM 1036 C ASP A 68 7.952 -6.512 2.368 1.00 0.00 C ATOM 1037 O ASP A 68 7.318 -6.126 3.352 1.00 0.00 O ATOM 1038 CB ASP A 68 9.041 -8.757 2.383 1.00 0.00 C ATOM 1039 CG ASP A 68 8.697 -10.206 2.654 1.00 0.00 C ATOM 1040 OD1 ASP A 68 8.610 -10.992 1.687 1.00 0.00 O ATOM 1041 OD2 ASP A 68 8.539 -10.569 3.840 1.00 0.00 O ATOM 0 H ASP A 68 8.702 -7.744 -0.032 1.00 0.00 H new ATOM 0 HA ASP A 68 6.933 -8.394 2.248 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.847 -8.712 1.650 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.418 -8.302 3.299 1.00 0.00 H new ATOM 1046 N VAL A 69 8.758 -5.724 1.675 1.00 0.00 N ATOM 1047 CA VAL A 69 8.953 -4.325 2.030 1.00 0.00 C ATOM 1048 C VAL A 69 8.686 -3.431 0.825 1.00 0.00 C ATOM 1049 O VAL A 69 9.090 -3.751 -0.291 1.00 0.00 O ATOM 1050 CB VAL A 69 10.384 -4.066 2.556 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.617 -2.583 2.797 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.633 -4.845 3.837 1.00 0.00 C ATOM 0 H VAL A 69 9.290 -6.030 0.860 1.00 0.00 H new ATOM 0 HA VAL A 69 8.247 -4.088 2.826 1.00 0.00 H new ATOM 0 HB VAL A 69 11.085 -4.406 1.794 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.631 -2.429 3.166 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.485 -2.037 1.863 1.00 0.00 H new ATOM 0 HG13 VAL A 69 9.903 -2.218 3.535 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.645 -4.649 4.191 1.00 0.00 H new ATOM 0 HG22 VAL A 69 9.916 -4.534 4.597 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.516 -5.911 3.643 1.00 0.00 H new ATOM 1062 N VAL A 70 7.998 -2.322 1.051 1.00 0.00 N ATOM 1063 CA VAL A 70 7.733 -1.365 -0.010 1.00 0.00 C ATOM 1064 C VAL A 70 8.175 0.030 0.422 1.00 0.00 C ATOM 1065 O VAL A 70 8.073 0.380 1.600 1.00 0.00 O ATOM 1066 CB VAL A 70 6.235 -1.345 -0.400 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.817 -2.680 -0.985 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.357 -1.012 0.792 1.00 0.00 C ATOM 0 H VAL A 70 7.614 -2.063 1.960 1.00 0.00 H new ATOM 0 HA VAL A 70 8.303 -1.674 -0.886 1.00 0.00 H new ATOM 0 HB VAL A 70 6.104 -0.567 -1.152 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.761 -2.645 -1.253 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.410 -2.889 -1.875 1.00 0.00 H new ATOM 0 HG13 VAL A 70 5.979 -3.467 -0.248 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.312 -1.006 0.484 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.501 -1.761 1.571 1.00 0.00 H new ATOM 0 HG23 VAL A 70 5.626 -0.029 1.179 1.00 0.00 H new ATOM 1078 N VAL A 71 8.692 0.816 -0.517 1.00 0.00 N ATOM 1079 CA VAL A 71 9.123 2.170 -0.211 1.00 0.00 C ATOM 1080 C VAL A 71 8.612 3.141 -1.261 1.00 0.00 C ATOM 1081 O VAL A 71 8.819 2.938 -2.455 1.00 0.00 O ATOM 1082 CB VAL A 71 10.663 2.283 -0.133 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.089 3.713 0.141 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.216 1.358 0.933 1.00 0.00 C ATOM 0 H VAL A 71 8.821 0.538 -1.490 1.00 0.00 H new ATOM 0 HA VAL A 71 8.707 2.421 0.765 1.00 0.00 H new ATOM 0 HB VAL A 71 11.069 1.982 -1.099 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.177 3.765 0.191 1.00 0.00 H new ATOM 0 HG12 VAL A 71 10.731 4.359 -0.661 1.00 0.00 H new ATOM 0 HG13 VAL A 71 10.666 4.043 1.090 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.301 1.454 0.971 1.00 0.00 H new ATOM 0 HG22 VAL A 71 10.794 1.626 1.902 1.00 0.00 H new ATOM 0 HG23 VAL A 71 10.951 0.328 0.694 1.00 0.00 H new ATOM 1094 N LEU A 72 7.944 4.190 -0.815 1.00 0.00 N ATOM 1095 CA LEU A 72 7.485 5.231 -1.718 1.00 0.00 C ATOM 1096 C LEU A 72 8.641 6.166 -2.029 1.00 0.00 C ATOM 1097 O LEU A 72 8.878 7.144 -1.318 1.00 0.00 O ATOM 1098 CB LEU A 72 6.315 6.009 -1.110 1.00 0.00 C ATOM 1099 CG LEU A 72 5.069 5.180 -0.796 1.00 0.00 C ATOM 1100 CD1 LEU A 72 3.987 6.052 -0.180 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.547 4.502 -2.052 1.00 0.00 C ATOM 0 H LEU A 72 7.707 4.344 0.165 1.00 0.00 H new ATOM 0 HA LEU A 72 7.131 4.770 -2.640 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.656 6.484 -0.190 1.00 0.00 H new ATOM 0 HB3 LEU A 72 6.036 6.808 -1.797 1.00 0.00 H new ATOM 0 HG LEU A 72 5.345 4.410 -0.076 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.109 5.444 0.036 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.359 6.494 0.744 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.717 6.844 -0.878 1.00 0.00 H new ATOM 0 HD21 LEU A 72 3.660 3.917 -1.808 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.290 5.258 -2.794 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.316 3.844 -2.457 1.00 0.00 H new ATOM 1113 N THR A 73 9.387 5.816 -3.064 1.00 0.00 N ATOM 1114 CA THR A 73 10.562 6.564 -3.461 1.00 0.00 C ATOM 1115 C THR A 73 10.161 7.910 -4.059 1.00 0.00 C ATOM 1116 O THR A 73 10.811 8.932 -3.830 1.00 0.00 O ATOM 1117 CB THR A 73 11.371 5.747 -4.484 1.00 0.00 C ATOM 1118 OG1 THR A 73 11.260 4.350 -4.170 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.835 6.145 -4.472 1.00 0.00 C ATOM 0 H THR A 73 9.193 5.005 -3.651 1.00 0.00 H new ATOM 0 HA THR A 73 11.178 6.750 -2.581 1.00 0.00 H new ATOM 0 HB THR A 73 10.968 5.947 -5.477 1.00 0.00 H new ATOM 0 HG1 THR A 73 12.153 3.947 -4.150 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.380 5.550 -5.205 1.00 0.00 H new ATOM 0 HG22 THR A 73 12.927 7.202 -4.722 1.00 0.00 H new ATOM 0 HG23 THR A 73 13.252 5.969 -3.480 1.00 0.00 H new ATOM 1127 N SER A 74 9.089 7.892 -4.830 1.00 0.00 N ATOM 1128 CA SER A 74 8.514 9.094 -5.406 1.00 0.00 C ATOM 1129 C SER A 74 7.028 8.857 -5.657 1.00 0.00 C ATOM 1130 O SER A 74 6.503 7.795 -5.321 1.00 0.00 O ATOM 1131 CB SER A 74 9.225 9.464 -6.713 1.00 0.00 C ATOM 1132 OG SER A 74 10.614 9.645 -6.513 1.00 0.00 O ATOM 0 H SER A 74 8.590 7.037 -5.076 1.00 0.00 H new ATOM 0 HA SER A 74 8.642 9.925 -4.712 1.00 0.00 H new ATOM 0 HB2 SER A 74 9.062 8.680 -7.452 1.00 0.00 H new ATOM 0 HB3 SER A 74 8.792 10.379 -7.118 1.00 0.00 H new ATOM 0 HG SER A 74 11.039 9.878 -7.364 1.00 0.00 H new ATOM 1138 N GLY A 75 6.354 9.833 -6.247 1.00 0.00 N ATOM 1139 CA GLY A 75 4.935 9.693 -6.513 1.00 0.00 C ATOM 1140 C GLY A 75 4.092 10.334 -5.434 1.00 0.00 C ATOM 1141 O GLY A 75 2.868 10.245 -5.453 1.00 0.00 O ATOM 0 H GLY A 75 6.762 10.718 -6.546 1.00 0.00 H new ATOM 0 HA2 GLY A 75 4.700 10.148 -7.475 1.00 0.00 H new ATOM 0 HA3 GLY A 75 4.683 8.635 -6.590 1.00 0.00 H new ATOM 1145 N GLN A 76 4.754 10.995 -4.496 1.00 0.00 N ATOM 1146 CA GLN A 76 4.070 11.649 -3.391 1.00 0.00 C ATOM 1147 C GLN A 76 3.906 13.140 -3.684 1.00 0.00 C ATOM 1148 O GLN A 76 3.871 13.968 -2.773 1.00 0.00 O ATOM 1149 CB GLN A 76 4.859 11.437 -2.094 1.00 0.00 C ATOM 1150 CG GLN A 76 3.996 11.048 -0.901 1.00 0.00 C ATOM 1151 CD GLN A 76 2.936 12.079 -0.578 1.00 0.00 C ATOM 1152 OE1 GLN A 76 1.819 12.016 -1.093 1.00 0.00 O ATOM 1153 NE2 GLN A 76 3.274 13.029 0.279 1.00 0.00 N ATOM 0 H GLN A 76 5.769 11.093 -4.479 1.00 0.00 H new ATOM 0 HA GLN A 76 3.079 11.211 -3.272 1.00 0.00 H new ATOM 0 HB2 GLN A 76 5.606 10.660 -2.258 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.399 12.353 -1.855 1.00 0.00 H new ATOM 0 HG2 GLN A 76 3.515 10.091 -1.104 1.00 0.00 H new ATOM 0 HG3 GLN A 76 4.634 10.905 -0.029 1.00 0.00 H new ATOM 0 HE21 GLN A 76 4.211 13.043 0.682 1.00 0.00 H new ATOM 0 HE22 GLN A 76 2.597 13.747 0.537 1.00 0.00 H new ATOM 1162 N THR A 77 3.802 13.475 -4.961 1.00 0.00 N ATOM 1163 CA THR A 77 3.615 14.857 -5.369 1.00 0.00 C ATOM 1164 C THR A 77 2.165 15.290 -5.134 1.00 0.00 C ATOM 1165 O THR A 77 1.861 15.911 -4.114 1.00 0.00 O ATOM 1166 CB THR A 77 4.002 15.050 -6.850 1.00 0.00 C ATOM 1167 OG1 THR A 77 5.266 14.425 -7.098 1.00 0.00 O ATOM 1168 CG2 THR A 77 4.087 16.524 -7.211 1.00 0.00 C ATOM 0 H THR A 77 3.844 12.808 -5.732 1.00 0.00 H new ATOM 0 HA THR A 77 4.269 15.484 -4.763 1.00 0.00 H new ATOM 0 HB THR A 77 3.229 14.591 -7.467 1.00 0.00 H new ATOM 0 HG1 THR A 77 5.512 14.546 -8.039 1.00 0.00 H new ATOM 0 HG21 THR A 77 4.362 16.626 -8.261 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.120 16.997 -7.041 1.00 0.00 H new ATOM 0 HG23 THR A 77 4.841 17.008 -6.590 1.00 0.00 H new ATOM 1176 N GLU A 78 1.274 14.933 -6.063 1.00 0.00 N ATOM 1177 CA GLU A 78 -0.149 15.226 -5.927 1.00 0.00 C ATOM 1178 C GLU A 78 -0.925 14.622 -7.113 1.00 0.00 C ATOM 1179 O GLU A 78 -1.264 13.443 -7.084 1.00 0.00 O ATOM 1180 CB GLU A 78 -0.377 16.743 -5.782 1.00 0.00 C ATOM 1181 CG GLU A 78 -1.701 17.125 -5.134 1.00 0.00 C ATOM 1182 CD GLU A 78 -2.868 17.062 -6.091 1.00 0.00 C ATOM 1183 OE1 GLU A 78 -2.882 17.850 -7.059 1.00 0.00 O ATOM 1184 OE2 GLU A 78 -3.781 16.240 -5.872 1.00 0.00 O ATOM 0 H GLU A 78 1.518 14.438 -6.921 1.00 0.00 H new ATOM 0 HA GLU A 78 -0.532 14.763 -5.018 1.00 0.00 H new ATOM 0 HB2 GLU A 78 0.437 17.165 -5.192 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.325 17.201 -6.770 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -1.892 16.459 -4.292 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -1.624 18.135 -4.731 1.00 0.00 H new ATOM 1191 N ASN A 79 -1.152 15.393 -8.173 1.00 0.00 N ATOM 1192 CA ASN A 79 -1.923 14.914 -9.312 1.00 0.00 C ATOM 1193 C ASN A 79 -1.009 14.543 -10.476 1.00 0.00 C ATOM 1194 O ASN A 79 -1.126 13.461 -11.054 1.00 0.00 O ATOM 1195 CB ASN A 79 -2.924 15.986 -9.749 1.00 0.00 C ATOM 1196 CG ASN A 79 -3.844 15.512 -10.854 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -4.291 16.299 -11.689 1.00 0.00 O ATOM 1198 ND2 ASN A 79 -4.148 14.225 -10.861 1.00 0.00 N ATOM 0 H ASN A 79 -0.813 16.351 -8.265 1.00 0.00 H new ATOM 0 HA ASN A 79 -2.464 14.018 -9.008 1.00 0.00 H new ATOM 0 HB2 ASN A 79 -3.522 16.291 -8.890 1.00 0.00 H new ATOM 0 HB3 ASN A 79 -2.381 16.868 -10.088 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -4.773 13.853 -11.576 1.00 0.00 H new ATOM 0 HD22 ASN A 79 -3.757 13.605 -10.152 1.00 0.00 H new ATOM 1205 N LYS A 80 -0.090 15.444 -10.804 1.00 0.00 N ATOM 1206 CA LYS A 80 0.853 15.246 -11.911 1.00 0.00 C ATOM 1207 C LYS A 80 1.976 14.281 -11.521 1.00 0.00 C ATOM 1208 O LYS A 80 3.148 14.509 -11.821 1.00 0.00 O ATOM 1209 CB LYS A 80 1.450 16.595 -12.314 1.00 0.00 C ATOM 1210 CG LYS A 80 2.155 17.300 -11.165 1.00 0.00 C ATOM 1211 CD LYS A 80 2.795 18.609 -11.603 1.00 0.00 C ATOM 1212 CE LYS A 80 3.866 18.384 -12.661 1.00 0.00 C ATOM 1213 NZ LYS A 80 4.619 19.631 -12.958 1.00 0.00 N ATOM 0 H LYS A 80 0.027 16.331 -10.315 1.00 0.00 H new ATOM 0 HA LYS A 80 0.311 14.810 -12.750 1.00 0.00 H new ATOM 0 HB2 LYS A 80 2.158 16.444 -13.129 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.657 17.238 -12.695 1.00 0.00 H new ATOM 0 HG2 LYS A 80 1.439 17.496 -10.367 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.921 16.643 -10.752 1.00 0.00 H new ATOM 0 HD2 LYS A 80 2.028 19.275 -11.997 1.00 0.00 H new ATOM 0 HD3 LYS A 80 3.236 19.106 -10.739 1.00 0.00 H new ATOM 0 HE2 LYS A 80 4.558 17.614 -12.320 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.402 18.013 -13.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 5.339 19.437 -13.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 3.963 20.358 -13.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.083 19.971 -12.092 1.00 0.00 H new ATOM 1227 N ILE A 81 1.609 13.196 -10.870 1.00 0.00 N ATOM 1228 CA ILE A 81 2.586 12.252 -10.356 1.00 0.00 C ATOM 1229 C ILE A 81 3.022 11.221 -11.389 1.00 0.00 C ATOM 1230 O ILE A 81 2.225 10.425 -11.891 1.00 0.00 O ATOM 1231 CB ILE A 81 2.074 11.526 -9.100 1.00 0.00 C ATOM 1232 CG1 ILE A 81 0.665 10.982 -9.328 1.00 0.00 C ATOM 1233 CG2 ILE A 81 2.105 12.457 -7.902 1.00 0.00 C ATOM 1234 CD1 ILE A 81 0.091 10.254 -8.134 1.00 0.00 C ATOM 0 H ILE A 81 0.639 12.944 -10.683 1.00 0.00 H new ATOM 0 HA ILE A 81 3.456 12.855 -10.095 1.00 0.00 H new ATOM 0 HB ILE A 81 2.733 10.682 -8.896 1.00 0.00 H new ATOM 0 HG12 ILE A 81 0.004 11.809 -9.590 1.00 0.00 H new ATOM 0 HG13 ILE A 81 0.681 10.304 -10.182 1.00 0.00 H new ATOM 0 HG21 ILE A 81 1.740 11.929 -7.021 1.00 0.00 H new ATOM 0 HG22 ILE A 81 3.128 12.791 -7.727 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.470 13.321 -8.096 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -0.911 9.897 -8.373 1.00 0.00 H new ATOM 0 HD12 ILE A 81 0.728 9.406 -7.884 1.00 0.00 H new ATOM 0 HD13 ILE A 81 0.041 10.933 -7.283 1.00 0.00 H new ATOM 1246 N HIS A 82 4.304 11.256 -11.695 1.00 0.00 N ATOM 1247 CA HIS A 82 4.955 10.226 -12.476 1.00 0.00 C ATOM 1248 C HIS A 82 5.996 9.571 -11.585 1.00 0.00 C ATOM 1249 O HIS A 82 7.195 9.602 -11.870 1.00 0.00 O ATOM 1250 CB HIS A 82 5.620 10.823 -13.719 1.00 0.00 C ATOM 1251 CG HIS A 82 4.661 11.344 -14.748 1.00 0.00 C ATOM 1252 ND1 HIS A 82 4.302 12.668 -14.831 1.00 0.00 N ATOM 1253 CD2 HIS A 82 3.998 10.714 -15.747 1.00 0.00 C ATOM 1254 CE1 HIS A 82 3.461 12.834 -15.835 1.00 0.00 C ATOM 1255 NE2 HIS A 82 3.259 11.664 -16.410 1.00 0.00 N ATOM 0 H HIS A 82 4.928 12.009 -11.405 1.00 0.00 H new ATOM 0 HA HIS A 82 4.224 9.494 -12.819 1.00 0.00 H new ATOM 0 HB2 HIS A 82 6.277 11.635 -13.409 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.249 10.062 -14.180 1.00 0.00 H new ATOM 0 HD2 HIS A 82 4.042 9.660 -15.979 1.00 0.00 H new ATOM 0 HE1 HIS A 82 3.014 13.770 -16.135 1.00 0.00 H new ATOM 0 HE2 HIS A 82 2.654 11.493 -17.214 1.00 0.00 H new ATOM 1264 N GLY A 83 5.526 9.008 -10.484 1.00 0.00 N ATOM 1265 CA GLY A 83 6.416 8.588 -9.429 1.00 0.00 C ATOM 1266 C GLY A 83 6.791 7.131 -9.511 1.00 0.00 C ATOM 1267 O GLY A 83 6.267 6.387 -10.339 1.00 0.00 O ATOM 0 H GLY A 83 4.537 8.834 -10.303 1.00 0.00 H new ATOM 0 HA2 GLY A 83 7.323 9.192 -9.466 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.943 8.781 -8.466 1.00 0.00 H new ATOM 1271 N THR A 84 7.692 6.729 -8.631 1.00 0.00 N ATOM 1272 CA THR A 84 8.195 5.370 -8.593 1.00 0.00 C ATOM 1273 C THR A 84 8.294 4.886 -7.146 1.00 0.00 C ATOM 1274 O THR A 84 8.680 5.644 -6.261 1.00 0.00 O ATOM 1275 CB THR A 84 9.589 5.280 -9.253 1.00 0.00 C ATOM 1276 OG1 THR A 84 10.413 6.376 -8.825 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.483 5.290 -10.766 1.00 0.00 C ATOM 0 H THR A 84 8.096 7.340 -7.921 1.00 0.00 H new ATOM 0 HA THR A 84 7.499 4.739 -9.146 1.00 0.00 H new ATOM 0 HB THR A 84 10.042 4.338 -8.943 1.00 0.00 H new ATOM 0 HG1 THR A 84 11.294 6.307 -9.248 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.480 5.226 -11.201 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.888 4.438 -11.095 1.00 0.00 H new ATOM 0 HG23 THR A 84 9.004 6.214 -11.091 1.00 0.00 H new ATOM 1285 N ALA A 85 7.933 3.639 -6.902 1.00 0.00 N ATOM 1286 CA ALA A 85 8.077 3.051 -5.579 1.00 0.00 C ATOM 1287 C ALA A 85 8.944 1.809 -5.677 1.00 0.00 C ATOM 1288 O ALA A 85 8.734 0.970 -6.554 1.00 0.00 O ATOM 1289 CB ALA A 85 6.714 2.719 -4.989 1.00 0.00 C ATOM 0 H ALA A 85 7.537 3.012 -7.602 1.00 0.00 H new ATOM 0 HA ALA A 85 8.557 3.768 -4.914 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.843 2.280 -4.000 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.121 3.630 -4.908 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.200 2.009 -5.637 1.00 0.00 H new ATOM 1295 N ASP A 86 9.911 1.685 -4.784 1.00 0.00 N ATOM 1296 CA ASP A 86 10.892 0.616 -4.881 1.00 0.00 C ATOM 1297 C ASP A 86 10.618 -0.441 -3.827 1.00 0.00 C ATOM 1298 O ASP A 86 10.575 -0.143 -2.634 1.00 0.00 O ATOM 1299 CB ASP A 86 12.300 1.185 -4.731 1.00 0.00 C ATOM 1300 CG ASP A 86 13.383 0.189 -5.083 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.352 -0.373 -6.205 1.00 0.00 O ATOM 1302 OD2 ASP A 86 14.284 -0.025 -4.250 1.00 0.00 O ATOM 0 H ASP A 86 10.038 2.308 -3.987 1.00 0.00 H new ATOM 0 HA ASP A 86 10.815 0.146 -5.862 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.401 2.063 -5.369 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.443 1.520 -3.704 1.00 0.00 H new ATOM 1307 N ILE A 87 10.412 -1.669 -4.272 1.00 0.00 N ATOM 1308 CA ILE A 87 9.967 -2.729 -3.383 1.00 0.00 C ATOM 1309 C ILE A 87 11.002 -3.846 -3.264 1.00 0.00 C ATOM 1310 O ILE A 87 11.803 -4.075 -4.176 1.00 0.00 O ATOM 1311 CB ILE A 87 8.618 -3.307 -3.853 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.754 -3.962 -5.228 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.570 -2.204 -3.898 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.457 -4.531 -5.767 1.00 0.00 C ATOM 0 H ILE A 87 10.545 -1.956 -5.242 1.00 0.00 H new ATOM 0 HA ILE A 87 9.839 -2.285 -2.396 1.00 0.00 H new ATOM 0 HB ILE A 87 8.304 -4.072 -3.143 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.138 -3.226 -5.934 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.493 -4.761 -5.168 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.619 -2.619 -4.231 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.450 -1.775 -2.903 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.889 -1.427 -4.592 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.635 -4.978 -6.745 1.00 0.00 H new ATOM 0 HD12 ILE A 87 7.081 -5.292 -5.083 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.721 -3.733 -5.861 1.00 0.00 H new ATOM 1326 N TYR A 88 10.969 -4.546 -2.136 1.00 0.00 N ATOM 1327 CA TYR A 88 11.916 -5.615 -1.854 1.00 0.00 C ATOM 1328 C TYR A 88 11.207 -6.843 -1.323 1.00 0.00 C ATOM 1329 O TYR A 88 10.169 -6.754 -0.660 1.00 0.00 O ATOM 1330 CB TYR A 88 12.972 -5.164 -0.842 1.00 0.00 C ATOM 1331 CG TYR A 88 14.074 -4.326 -1.447 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.818 -3.053 -1.923 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.373 -4.812 -1.539 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.816 -2.287 -2.479 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.380 -4.047 -2.093 1.00 0.00 C ATOM 1336 CZ TYR A 88 16.093 -2.786 -2.559 1.00 0.00 C ATOM 1337 OH TYR A 88 17.087 -2.016 -3.116 1.00 0.00 O ATOM 0 H TYR A 88 10.287 -4.388 -1.394 1.00 0.00 H new ATOM 0 HA TYR A 88 12.409 -5.865 -2.794 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.485 -4.592 -0.052 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.412 -6.044 -0.373 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.817 -2.653 -1.857 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.598 -5.802 -1.172 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.596 -1.297 -2.851 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.385 -4.436 -2.160 1.00 0.00 H new ATOM 0 HH TYR A 88 17.933 -2.511 -3.098 1.00 0.00 H new ATOM 1347 N LYS A 89 11.787 -7.984 -1.618 1.00 0.00 N ATOM 1348 CA LYS A 89 11.272 -9.257 -1.169 1.00 0.00 C ATOM 1349 C LYS A 89 12.258 -9.880 -0.186 1.00 0.00 C ATOM 1350 O LYS A 89 13.467 -9.762 -0.361 1.00 0.00 O ATOM 1351 CB LYS A 89 11.057 -10.172 -2.382 1.00 0.00 C ATOM 1352 CG LYS A 89 10.612 -11.575 -2.022 1.00 0.00 C ATOM 1353 CD LYS A 89 9.281 -11.555 -1.294 1.00 0.00 C ATOM 1354 CE LYS A 89 8.878 -12.933 -0.795 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.651 -12.862 0.037 1.00 0.00 N ATOM 0 H LYS A 89 12.635 -8.055 -2.180 1.00 0.00 H new ATOM 0 HA LYS A 89 10.316 -9.120 -0.663 1.00 0.00 H new ATOM 0 HB2 LYS A 89 10.311 -9.722 -3.037 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.986 -10.230 -2.950 1.00 0.00 H new ATOM 0 HG2 LYS A 89 10.526 -12.176 -2.927 1.00 0.00 H new ATOM 0 HG3 LYS A 89 11.366 -12.050 -1.394 1.00 0.00 H new ATOM 0 HD2 LYS A 89 9.341 -10.868 -0.450 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.509 -11.172 -1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.708 -13.595 -1.644 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.692 -13.365 -0.212 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.408 -13.814 0.379 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 7.818 -12.235 0.849 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.866 -12.488 -0.533 1.00 0.00 H new ATOM 1369 N LYS A 90 11.744 -10.519 0.852 1.00 0.00 N ATOM 1370 CA LYS A 90 12.590 -11.111 1.881 1.00 0.00 C ATOM 1371 C LYS A 90 13.388 -12.286 1.323 1.00 0.00 C ATOM 1372 O LYS A 90 12.873 -13.075 0.526 1.00 0.00 O ATOM 1373 CB LYS A 90 11.722 -11.573 3.055 1.00 0.00 C ATOM 1374 CG LYS A 90 12.498 -12.205 4.199 1.00 0.00 C ATOM 1375 CD LYS A 90 11.564 -12.771 5.261 1.00 0.00 C ATOM 1376 CE LYS A 90 11.164 -11.733 6.305 1.00 0.00 C ATOM 1377 NZ LYS A 90 10.456 -10.557 5.725 1.00 0.00 N ATOM 0 H LYS A 90 10.743 -10.642 1.007 1.00 0.00 H new ATOM 0 HA LYS A 90 13.297 -10.357 2.226 1.00 0.00 H new ATOM 0 HB2 LYS A 90 11.166 -10.718 3.438 1.00 0.00 H new ATOM 0 HB3 LYS A 90 10.989 -12.292 2.688 1.00 0.00 H new ATOM 0 HG2 LYS A 90 13.135 -13.000 3.812 1.00 0.00 H new ATOM 0 HG3 LYS A 90 13.155 -11.461 4.650 1.00 0.00 H new ATOM 0 HD2 LYS A 90 10.667 -13.161 4.780 1.00 0.00 H new ATOM 0 HD3 LYS A 90 12.051 -13.611 5.757 1.00 0.00 H new ATOM 0 HE2 LYS A 90 10.522 -12.205 7.049 1.00 0.00 H new ATOM 0 HE3 LYS A 90 12.057 -11.390 6.827 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 9.869 -10.109 6.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 11.154 -9.871 5.373 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.850 -10.869 4.939 1.00 0.00 H new ATOM 1391 N LYS A 91 14.650 -12.385 1.728 1.00 0.00 N ATOM 1392 CA LYS A 91 15.484 -13.519 1.357 1.00 0.00 C ATOM 1393 C LYS A 91 15.204 -14.699 2.276 1.00 0.00 C ATOM 1394 O LYS A 91 14.397 -14.600 3.204 1.00 0.00 O ATOM 1395 CB LYS A 91 16.969 -13.163 1.437 1.00 0.00 C ATOM 1396 CG LYS A 91 17.429 -12.156 0.399 1.00 0.00 C ATOM 1397 CD LYS A 91 18.915 -11.875 0.547 1.00 0.00 C ATOM 1398 CE LYS A 91 19.412 -10.870 -0.478 1.00 0.00 C ATOM 1399 NZ LYS A 91 20.875 -10.623 -0.354 1.00 0.00 N ATOM 0 H LYS A 91 15.116 -11.692 2.314 1.00 0.00 H new ATOM 0 HA LYS A 91 15.242 -13.786 0.328 1.00 0.00 H new ATOM 0 HB2 LYS A 91 17.182 -12.766 2.430 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.555 -14.075 1.326 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.224 -12.537 -0.601 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.866 -11.229 0.509 1.00 0.00 H new ATOM 0 HD2 LYS A 91 19.114 -11.497 1.550 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.472 -12.806 0.441 1.00 0.00 H new ATOM 0 HE2 LYS A 91 19.190 -11.235 -1.481 1.00 0.00 H new ATOM 0 HE3 LYS A 91 18.874 -9.930 -0.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 21.229 -10.188 -1.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 21.052 -9.983 0.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 21.367 -11.525 -0.192 1.00 0.00 H new ATOM 1413 N LEU A 92 15.895 -15.803 2.041 1.00 0.00 N ATOM 1414 CA LEU A 92 15.677 -17.013 2.826 1.00 0.00 C ATOM 1415 C LEU A 92 16.603 -17.040 4.036 1.00 0.00 C ATOM 1416 O LEU A 92 16.468 -17.887 4.925 1.00 0.00 O ATOM 1417 CB LEU A 92 15.894 -18.259 1.962 1.00 0.00 C ATOM 1418 CG LEU A 92 15.039 -18.324 0.696 1.00 0.00 C ATOM 1419 CD1 LEU A 92 15.398 -19.550 -0.127 1.00 0.00 C ATOM 1420 CD2 LEU A 92 13.558 -18.335 1.050 1.00 0.00 C ATOM 0 H LEU A 92 16.609 -15.889 1.317 1.00 0.00 H new ATOM 0 HA LEU A 92 14.646 -17.011 3.180 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.945 -18.306 1.676 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.689 -19.142 2.567 1.00 0.00 H new ATOM 0 HG LEU A 92 15.243 -17.436 0.098 1.00 0.00 H new ATOM 0 HD11 LEU A 92 14.780 -19.580 -1.024 1.00 0.00 H new ATOM 0 HD12 LEU A 92 16.449 -19.502 -0.412 1.00 0.00 H new ATOM 0 HD13 LEU A 92 15.223 -20.449 0.464 1.00 0.00 H new ATOM 0 HD21 LEU A 92 12.966 -18.381 0.136 1.00 0.00 H new ATOM 0 HD22 LEU A 92 13.338 -19.205 1.669 1.00 0.00 H new ATOM 0 HD23 LEU A 92 13.308 -17.427 1.598 1.00 0.00 H new ATOM 1432 N GLU A 93 17.537 -16.101 4.063 1.00 0.00 N ATOM 1433 CA GLU A 93 18.478 -15.982 5.162 1.00 0.00 C ATOM 1434 C GLU A 93 18.401 -14.583 5.758 1.00 0.00 C ATOM 1435 O GLU A 93 17.904 -13.655 5.117 1.00 0.00 O ATOM 1436 CB GLU A 93 19.918 -16.254 4.703 1.00 0.00 C ATOM 1437 CG GLU A 93 20.124 -17.584 3.992 1.00 0.00 C ATOM 1438 CD GLU A 93 19.991 -17.468 2.488 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.927 -16.947 1.846 1.00 0.00 O ATOM 1440 OE2 GLU A 93 18.963 -17.908 1.939 1.00 0.00 O ATOM 0 H GLU A 93 17.662 -15.405 3.328 1.00 0.00 H new ATOM 0 HA GLU A 93 18.209 -16.726 5.912 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.229 -15.450 4.036 1.00 0.00 H new ATOM 0 HB3 GLU A 93 20.574 -16.218 5.573 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.112 -17.973 4.237 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.397 -18.306 4.363 1.00 0.00 H new