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 73 THR OG1 : rot 17:sc= 0.285 USER MOD Set 1.2: A 84 THR OG1 : rot 71:sc= 0.236 USER MOD Set 2.1: A 39 LYS NZ :NH3+ 168:sc= 1.14 (180deg=1.04) USER MOD Set 2.2: A 88 TYR OH : rot 180:sc= 0 USER MOD Set 3.1: A 38 THR OG1 : rot 130:sc= 0.583 USER MOD Set 3.2: A 91 LYS NZ :NH3+ 174:sc= 2.23 (180deg=0.985) USER MOD Single : A 25 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 124:sc= -0.0765 (180deg=-0.486) USER MOD Single : A 28 THR OG1 : rot 81:sc= 0.916 USER MOD Single : A 32 LYS NZ :NH3+ -176:sc= 1.3 (180deg=1.19) 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 42 THR OG1 : rot -68:sc= 1.26 USER MOD Single : A 44 SER OG : rot 180:sc= -0.0493 USER MOD Single : A 45 THR OG1 : rot -63:sc= 0.72 USER MOD Single : A 46 THR OG1 : rot 180:sc= -0.308 USER MOD Single : A 49 MET CE :methyl 169:sc= -0.0371 (180deg=-0.314) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 60 LYS NZ :NH3+ 164:sc= 0.886 (180deg=0.472) USER MOD Single : A 61 LYS NZ :NH3+ -162:sc= 1.29 (180deg=1.15) USER MOD Single : A 65 LYS NZ :NH3+ -152:sc= 0.892 (180deg=0.484) USER MOD Single : A 74 SER OG : rot 81:sc= 0.129 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=-0.34) USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 79 ASN : amide:sc= -0.331 K(o=-0.33,f=-3!) USER MOD Single : A 80 LYS NZ :NH3+ -129:sc= -1.07 (180deg=-3.16!) USER MOD Single : A 82 HIS : no HD1:sc=-0.00347 X(o=-0.0035,f=-0.014) USER MOD Single : A 89 LYS NZ :NH3+ 162:sc= 2.39 (180deg=1.79) USER MOD Single : A 90 LYS NZ :NH3+ -125:sc= 1.19 (180deg=0.648) USER MOD ----------------------------------------------------------------- ATOM 328 N ALA A 22 3.515 -6.889 1.994 1.00 0.00 N ATOM 329 CA ALA A 22 4.385 -5.726 1.914 1.00 0.00 C ATOM 330 C ALA A 22 4.231 -4.819 3.131 1.00 0.00 C ATOM 331 O ALA A 22 3.163 -4.759 3.749 1.00 0.00 O ATOM 332 CB ALA A 22 4.096 -4.945 0.646 1.00 0.00 C ATOM 0 HA ALA A 22 5.414 -6.084 1.894 1.00 0.00 H new ATOM 0 HB1 ALA A 22 4.753 -4.076 0.596 1.00 0.00 H new ATOM 0 HB2 ALA A 22 4.270 -5.582 -0.221 1.00 0.00 H new ATOM 0 HB3 ALA A 22 3.057 -4.615 0.651 1.00 0.00 H new ATOM 338 N GLU A 23 5.312 -4.124 3.475 1.00 0.00 N ATOM 339 CA GLU A 23 5.304 -3.161 4.566 1.00 0.00 C ATOM 340 C GLU A 23 6.331 -2.057 4.305 1.00 0.00 C ATOM 341 O GLU A 23 7.323 -2.272 3.606 1.00 0.00 O ATOM 342 CB GLU A 23 5.595 -3.864 5.902 1.00 0.00 C ATOM 343 CG GLU A 23 5.513 -2.949 7.116 1.00 0.00 C ATOM 344 CD GLU A 23 4.194 -2.214 7.199 1.00 0.00 C ATOM 345 OE1 GLU A 23 3.231 -2.767 7.772 1.00 0.00 O ATOM 346 OE2 GLU A 23 4.110 -1.075 6.697 1.00 0.00 O ATOM 0 H GLU A 23 6.213 -4.214 3.006 1.00 0.00 H new ATOM 0 HA GLU A 23 4.315 -2.707 4.625 1.00 0.00 H new ATOM 0 HB2 GLU A 23 4.889 -4.684 6.030 1.00 0.00 H new ATOM 0 HB3 GLU A 23 6.591 -4.305 5.859 1.00 0.00 H new ATOM 0 HG2 GLU A 23 5.654 -3.539 8.022 1.00 0.00 H new ATOM 0 HG3 GLU A 23 6.327 -2.225 7.077 1.00 0.00 H new ATOM 353 N ILE A 24 6.075 -0.877 4.857 1.00 0.00 N ATOM 354 CA ILE A 24 6.966 0.268 4.708 1.00 0.00 C ATOM 355 C ILE A 24 8.107 0.181 5.721 1.00 0.00 C ATOM 356 O ILE A 24 7.898 -0.234 6.862 1.00 0.00 O ATOM 357 CB ILE A 24 6.201 1.599 4.931 1.00 0.00 C ATOM 358 CG1 ILE A 24 5.095 1.777 3.887 1.00 0.00 C ATOM 359 CG2 ILE A 24 7.153 2.791 4.906 1.00 0.00 C ATOM 360 CD1 ILE A 24 5.609 2.027 2.485 1.00 0.00 C ATOM 0 H ILE A 24 5.246 -0.687 5.420 1.00 0.00 H new ATOM 0 HA ILE A 24 7.365 0.250 3.694 1.00 0.00 H new ATOM 0 HB ILE A 24 5.739 1.553 5.917 1.00 0.00 H new ATOM 0 HG12 ILE A 24 4.469 0.885 3.880 1.00 0.00 H new ATOM 0 HG13 ILE A 24 4.459 2.611 4.184 1.00 0.00 H new ATOM 0 HG21 ILE A 24 6.589 3.710 5.065 1.00 0.00 H new ATOM 0 HG22 ILE A 24 7.896 2.680 5.696 1.00 0.00 H new ATOM 0 HG23 ILE A 24 7.655 2.836 3.939 1.00 0.00 H new ATOM 0 HD11 ILE A 24 4.766 2.142 1.804 1.00 0.00 H new ATOM 0 HD12 ILE A 24 6.211 2.936 2.475 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.221 1.183 2.166 1.00 0.00 H new ATOM 372 N MET A 25 9.306 0.573 5.311 1.00 0.00 N ATOM 373 CA MET A 25 10.456 0.559 6.207 1.00 0.00 C ATOM 374 C MET A 25 11.190 1.892 6.198 1.00 0.00 C ATOM 375 O MET A 25 11.346 2.524 5.151 1.00 0.00 O ATOM 376 CB MET A 25 11.426 -0.566 5.832 1.00 0.00 C ATOM 377 CG MET A 25 10.976 -1.939 6.295 1.00 0.00 C ATOM 378 SD MET A 25 10.867 -2.057 8.089 1.00 0.00 S ATOM 379 CE MET A 25 10.304 -3.746 8.273 1.00 0.00 C ATOM 0 H MET A 25 9.508 0.904 4.367 1.00 0.00 H new ATOM 0 HA MET A 25 10.076 0.383 7.213 1.00 0.00 H new ATOM 0 HB2 MET A 25 11.551 -0.580 4.749 1.00 0.00 H new ATOM 0 HB3 MET A 25 12.404 -0.349 6.263 1.00 0.00 H new ATOM 0 HG2 MET A 25 10.003 -2.166 5.859 1.00 0.00 H new ATOM 0 HG3 MET A 25 11.674 -2.691 5.926 1.00 0.00 H new ATOM 0 HE1 MET A 25 10.187 -3.977 9.332 1.00 0.00 H new ATOM 0 HE2 MET A 25 9.346 -3.868 7.767 1.00 0.00 H new ATOM 0 HE3 MET A 25 11.036 -4.423 7.833 1.00 0.00 H new ATOM 389 N LYS A 26 11.612 2.319 7.382 1.00 0.00 N ATOM 390 CA LYS A 26 12.475 3.477 7.543 1.00 0.00 C ATOM 391 C LYS A 26 13.786 3.261 6.798 1.00 0.00 C ATOM 392 O LYS A 26 14.192 2.124 6.588 1.00 0.00 O ATOM 393 CB LYS A 26 12.752 3.678 9.029 1.00 0.00 C ATOM 394 CG LYS A 26 11.498 3.923 9.854 1.00 0.00 C ATOM 395 CD LYS A 26 11.780 3.779 11.340 1.00 0.00 C ATOM 396 CE LYS A 26 12.045 2.326 11.700 1.00 0.00 C ATOM 397 NZ LYS A 26 12.489 2.159 13.106 1.00 0.00 N ATOM 0 H LYS A 26 11.362 1.867 8.261 1.00 0.00 H new ATOM 0 HA LYS A 26 11.984 4.360 7.133 1.00 0.00 H new ATOM 0 HB2 LYS A 26 13.266 2.798 9.417 1.00 0.00 H new ATOM 0 HB3 LYS A 26 13.429 4.523 9.153 1.00 0.00 H new ATOM 0 HG2 LYS A 26 11.115 4.923 9.649 1.00 0.00 H new ATOM 0 HG3 LYS A 26 10.722 3.217 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 26 12.641 4.389 11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 26 10.931 4.152 11.914 1.00 0.00 H new ATOM 0 HE2 LYS A 26 11.138 1.744 11.538 1.00 0.00 H new ATOM 0 HE3 LYS A 26 12.806 1.923 11.032 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 12.656 1.151 13.300 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 13.370 2.691 13.258 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 11.753 2.518 13.747 1.00 0.00 H new ATOM 411 N LYS A 27 14.467 4.339 6.435 1.00 0.00 N ATOM 412 CA LYS A 27 15.674 4.236 5.617 1.00 0.00 C ATOM 413 C LYS A 27 16.848 3.660 6.408 1.00 0.00 C ATOM 414 O LYS A 27 17.794 3.120 5.829 1.00 0.00 O ATOM 415 CB LYS A 27 16.046 5.593 5.011 1.00 0.00 C ATOM 416 CG LYS A 27 15.434 5.831 3.633 1.00 0.00 C ATOM 417 CD LYS A 27 13.915 5.911 3.680 1.00 0.00 C ATOM 418 CE LYS A 27 13.442 7.260 4.191 1.00 0.00 C ATOM 419 NZ LYS A 27 13.796 8.361 3.257 1.00 0.00 N ATOM 0 H LYS A 27 14.208 5.292 6.691 1.00 0.00 H new ATOM 0 HA LYS A 27 15.453 3.545 4.804 1.00 0.00 H new ATOM 0 HB2 LYS A 27 15.721 6.385 5.686 1.00 0.00 H new ATOM 0 HB3 LYS A 27 17.131 5.663 4.935 1.00 0.00 H new ATOM 0 HG2 LYS A 27 15.831 6.757 3.217 1.00 0.00 H new ATOM 0 HG3 LYS A 27 15.732 5.026 2.962 1.00 0.00 H new ATOM 0 HD2 LYS A 27 13.510 5.736 2.683 1.00 0.00 H new ATOM 0 HD3 LYS A 27 13.528 5.121 4.324 1.00 0.00 H new ATOM 0 HE2 LYS A 27 12.361 7.236 4.332 1.00 0.00 H new ATOM 0 HE3 LYS A 27 13.886 7.455 5.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 12.935 8.879 2.989 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 14.460 9.012 3.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 14.241 7.964 2.405 1.00 0.00 H new ATOM 433 N THR A 28 16.793 3.771 7.728 1.00 0.00 N ATOM 434 CA THR A 28 17.795 3.163 8.585 1.00 0.00 C ATOM 435 C THR A 28 17.666 1.657 8.553 1.00 0.00 C ATOM 436 O THR A 28 18.639 0.938 8.314 1.00 0.00 O ATOM 437 CB THR A 28 17.645 3.668 10.034 1.00 0.00 C ATOM 438 OG1 THR A 28 16.262 3.633 10.425 1.00 0.00 O ATOM 439 CG2 THR A 28 18.181 5.086 10.175 1.00 0.00 C ATOM 0 H THR A 28 16.062 4.278 8.227 1.00 0.00 H new ATOM 0 HA THR A 28 18.780 3.445 8.214 1.00 0.00 H new ATOM 0 HB THR A 28 18.225 3.013 10.684 1.00 0.00 H new ATOM 0 HG1 THR A 28 16.022 2.723 10.697 1.00 0.00 H new ATOM 0 HG21 THR A 28 18.063 5.419 11.206 1.00 0.00 H new ATOM 0 HG22 THR A 28 19.237 5.104 9.906 1.00 0.00 H new ATOM 0 HG23 THR A 28 17.627 5.752 9.514 1.00 0.00 H new ATOM 447 N ASP A 29 16.451 1.195 8.758 1.00 0.00 N ATOM 448 CA ASP A 29 16.158 -0.219 8.746 1.00 0.00 C ATOM 449 C ASP A 29 16.227 -0.733 7.323 1.00 0.00 C ATOM 450 O ASP A 29 16.573 -1.876 7.099 1.00 0.00 O ATOM 451 CB ASP A 29 14.776 -0.471 9.352 1.00 0.00 C ATOM 452 CG ASP A 29 14.656 0.084 10.761 1.00 0.00 C ATOM 453 OD1 ASP A 29 14.807 1.317 10.936 1.00 0.00 O ATOM 454 OD2 ASP A 29 14.414 -0.705 11.699 1.00 0.00 O ATOM 0 H ASP A 29 15.641 1.789 8.937 1.00 0.00 H new ATOM 0 HA ASP A 29 16.894 -0.753 9.347 1.00 0.00 H new ATOM 0 HB2 ASP A 29 14.015 -0.016 8.718 1.00 0.00 H new ATOM 0 HB3 ASP A 29 14.578 -1.543 9.368 1.00 0.00 H new ATOM 459 N PHE A 30 15.919 0.138 6.368 1.00 0.00 N ATOM 460 CA PHE A 30 16.032 -0.179 4.945 1.00 0.00 C ATOM 461 C PHE A 30 17.447 -0.620 4.590 1.00 0.00 C ATOM 462 O PHE A 30 17.640 -1.638 3.935 1.00 0.00 O ATOM 463 CB PHE A 30 15.641 1.040 4.104 1.00 0.00 C ATOM 464 CG PHE A 30 15.948 0.897 2.638 1.00 0.00 C ATOM 465 CD1 PHE A 30 15.211 0.037 1.841 1.00 0.00 C ATOM 466 CD2 PHE A 30 16.973 1.631 2.061 1.00 0.00 C ATOM 467 CE1 PHE A 30 15.490 -0.088 0.496 1.00 0.00 C ATOM 468 CE2 PHE A 30 17.256 1.508 0.715 1.00 0.00 C ATOM 469 CZ PHE A 30 16.514 0.647 -0.068 1.00 0.00 C ATOM 0 H PHE A 30 15.584 1.083 6.556 1.00 0.00 H new ATOM 0 HA PHE A 30 15.353 -1.003 4.727 1.00 0.00 H new ATOM 0 HB2 PHE A 30 14.574 1.224 4.225 1.00 0.00 H new ATOM 0 HB3 PHE A 30 16.161 1.917 4.490 1.00 0.00 H new ATOM 0 HD1 PHE A 30 14.410 -0.541 2.277 1.00 0.00 H new ATOM 0 HD2 PHE A 30 17.556 2.306 2.670 1.00 0.00 H new ATOM 0 HE1 PHE A 30 14.908 -0.761 -0.116 1.00 0.00 H new ATOM 0 HE2 PHE A 30 18.057 2.085 0.276 1.00 0.00 H new ATOM 0 HZ PHE A 30 16.734 0.548 -1.121 1.00 0.00 H new ATOM 479 N ASP A 31 18.431 0.149 5.037 1.00 0.00 N ATOM 480 CA ASP A 31 19.832 -0.163 4.762 1.00 0.00 C ATOM 481 C ASP A 31 20.223 -1.491 5.395 1.00 0.00 C ATOM 482 O ASP A 31 21.028 -2.245 4.848 1.00 0.00 O ATOM 483 CB ASP A 31 20.731 0.969 5.279 1.00 0.00 C ATOM 484 CG ASP A 31 22.207 0.617 5.261 1.00 0.00 C ATOM 485 OD1 ASP A 31 22.776 0.452 4.165 1.00 0.00 O ATOM 486 OD2 ASP A 31 22.809 0.513 6.355 1.00 0.00 O ATOM 0 H ASP A 31 18.288 0.993 5.591 1.00 0.00 H new ATOM 0 HA ASP A 31 19.965 -0.253 3.684 1.00 0.00 H new ATOM 0 HB2 ASP A 31 20.569 1.859 4.671 1.00 0.00 H new ATOM 0 HB3 ASP A 31 20.437 1.221 6.298 1.00 0.00 H new ATOM 491 N LYS A 32 19.628 -1.775 6.537 1.00 0.00 N ATOM 492 CA LYS A 32 19.887 -3.015 7.250 1.00 0.00 C ATOM 493 C LYS A 32 19.135 -4.193 6.626 1.00 0.00 C ATOM 494 O LYS A 32 19.678 -5.293 6.516 1.00 0.00 O ATOM 495 CB LYS A 32 19.524 -2.829 8.725 1.00 0.00 C ATOM 496 CG LYS A 32 20.682 -2.310 9.570 1.00 0.00 C ATOM 497 CD LYS A 32 21.232 -1.010 9.013 1.00 0.00 C ATOM 498 CE LYS A 32 22.530 -0.600 9.686 1.00 0.00 C ATOM 499 NZ LYS A 32 23.106 0.618 9.061 1.00 0.00 N ATOM 0 H LYS A 32 18.956 -1.160 6.996 1.00 0.00 H new ATOM 0 HA LYS A 32 20.948 -3.255 7.173 1.00 0.00 H new ATOM 0 HB2 LYS A 32 18.688 -2.134 8.801 1.00 0.00 H new ATOM 0 HB3 LYS A 32 19.185 -3.782 9.132 1.00 0.00 H new ATOM 0 HG2 LYS A 32 20.346 -2.155 10.595 1.00 0.00 H new ATOM 0 HG3 LYS A 32 21.474 -3.058 9.603 1.00 0.00 H new ATOM 0 HD2 LYS A 32 21.399 -1.118 7.941 1.00 0.00 H new ATOM 0 HD3 LYS A 32 20.492 -0.220 9.142 1.00 0.00 H new ATOM 0 HE2 LYS A 32 22.350 -0.416 10.745 1.00 0.00 H new ATOM 0 HE3 LYS A 32 23.248 -1.417 9.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 24.025 0.832 9.499 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 23.237 0.456 8.042 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 22.460 1.420 9.204 1.00 0.00 H new ATOM 513 N VAL A 33 17.915 -3.958 6.173 1.00 0.00 N ATOM 514 CA VAL A 33 17.119 -5.018 5.573 1.00 0.00 C ATOM 515 C VAL A 33 17.488 -5.205 4.107 1.00 0.00 C ATOM 516 O VAL A 33 17.062 -6.161 3.472 1.00 0.00 O ATOM 517 CB VAL A 33 15.599 -4.774 5.700 1.00 0.00 C ATOM 518 CG1 VAL A 33 15.200 -4.614 7.157 1.00 0.00 C ATOM 519 CG2 VAL A 33 15.159 -3.571 4.883 1.00 0.00 C ATOM 0 H VAL A 33 17.455 -3.048 6.208 1.00 0.00 H new ATOM 0 HA VAL A 33 17.351 -5.926 6.129 1.00 0.00 H new ATOM 0 HB VAL A 33 15.088 -5.649 5.299 1.00 0.00 H new ATOM 0 HG11 VAL A 33 14.126 -4.443 7.223 1.00 0.00 H new ATOM 0 HG12 VAL A 33 15.458 -5.519 7.706 1.00 0.00 H new ATOM 0 HG13 VAL A 33 15.730 -3.765 7.588 1.00 0.00 H new ATOM 0 HG21 VAL A 33 14.084 -3.428 4.995 1.00 0.00 H new ATOM 0 HG22 VAL A 33 15.682 -2.682 5.235 1.00 0.00 H new ATOM 0 HG23 VAL A 33 15.395 -3.739 3.832 1.00 0.00 H new ATOM 529 N ALA A 34 18.302 -4.298 3.572 1.00 0.00 N ATOM 530 CA ALA A 34 18.842 -4.466 2.229 1.00 0.00 C ATOM 531 C ALA A 34 19.737 -5.699 2.178 1.00 0.00 C ATOM 532 O ALA A 34 20.082 -6.199 1.108 1.00 0.00 O ATOM 533 CB ALA A 34 19.612 -3.222 1.808 1.00 0.00 C ATOM 0 H ALA A 34 18.600 -3.445 4.046 1.00 0.00 H new ATOM 0 HA ALA A 34 18.017 -4.607 1.531 1.00 0.00 H new ATOM 0 HB1 ALA A 34 20.009 -3.363 0.803 1.00 0.00 H new ATOM 0 HB2 ALA A 34 18.944 -2.360 1.817 1.00 0.00 H new ATOM 0 HB3 ALA A 34 20.435 -3.051 2.502 1.00 0.00 H new ATOM 539 N SER A 35 20.104 -6.183 3.354 1.00 0.00 N ATOM 540 CA SER A 35 20.921 -7.370 3.478 1.00 0.00 C ATOM 541 C SER A 35 20.039 -8.618 3.643 1.00 0.00 C ATOM 542 O SER A 35 20.444 -9.727 3.279 1.00 0.00 O ATOM 543 CB SER A 35 21.875 -7.205 4.670 1.00 0.00 C ATOM 544 OG SER A 35 22.843 -8.240 4.712 1.00 0.00 O ATOM 0 H SER A 35 19.842 -5.762 4.245 1.00 0.00 H new ATOM 0 HA SER A 35 21.510 -7.502 2.570 1.00 0.00 H new ATOM 0 HB2 SER A 35 22.377 -6.240 4.604 1.00 0.00 H new ATOM 0 HB3 SER A 35 21.302 -7.204 5.597 1.00 0.00 H new ATOM 0 HG SER A 35 23.435 -8.104 5.481 1.00 0.00 H new ATOM 550 N GLU A 36 18.821 -8.426 4.161 1.00 0.00 N ATOM 551 CA GLU A 36 17.905 -9.541 4.430 1.00 0.00 C ATOM 552 C GLU A 36 16.871 -9.692 3.311 1.00 0.00 C ATOM 553 O GLU A 36 16.109 -10.660 3.280 1.00 0.00 O ATOM 554 CB GLU A 36 17.162 -9.328 5.759 1.00 0.00 C ATOM 555 CG GLU A 36 18.030 -8.803 6.888 1.00 0.00 C ATOM 556 CD GLU A 36 17.374 -8.945 8.252 1.00 0.00 C ATOM 557 OE1 GLU A 36 16.250 -8.430 8.439 1.00 0.00 O ATOM 558 OE2 GLU A 36 17.987 -9.581 9.141 1.00 0.00 O ATOM 0 H GLU A 36 18.446 -7.509 4.403 1.00 0.00 H new ATOM 0 HA GLU A 36 18.510 -10.446 4.486 1.00 0.00 H new ATOM 0 HB2 GLU A 36 16.341 -8.630 5.594 1.00 0.00 H new ATOM 0 HB3 GLU A 36 16.718 -10.274 6.068 1.00 0.00 H new ATOM 0 HG2 GLU A 36 18.979 -9.339 6.889 1.00 0.00 H new ATOM 0 HG3 GLU A 36 18.257 -7.752 6.707 1.00 0.00 H new ATOM 565 N TYR A 37 16.847 -8.735 2.392 1.00 0.00 N ATOM 566 CA TYR A 37 15.826 -8.692 1.353 1.00 0.00 C ATOM 567 C TYR A 37 16.453 -8.525 -0.030 1.00 0.00 C ATOM 568 O TYR A 37 17.624 -8.163 -0.151 1.00 0.00 O ATOM 569 CB TYR A 37 14.841 -7.552 1.637 1.00 0.00 C ATOM 570 CG TYR A 37 13.967 -7.787 2.855 1.00 0.00 C ATOM 571 CD1 TYR A 37 14.408 -7.455 4.129 1.00 0.00 C ATOM 572 CD2 TYR A 37 12.701 -8.341 2.728 1.00 0.00 C ATOM 573 CE1 TYR A 37 13.614 -7.666 5.239 1.00 0.00 C ATOM 574 CE2 TYR A 37 11.901 -8.555 3.834 1.00 0.00 C ATOM 575 CZ TYR A 37 12.363 -8.217 5.087 1.00 0.00 C ATOM 576 OH TYR A 37 11.568 -8.429 6.190 1.00 0.00 O ATOM 0 H TYR A 37 17.526 -7.975 2.345 1.00 0.00 H new ATOM 0 HA TYR A 37 15.287 -9.639 1.361 1.00 0.00 H new ATOM 0 HB2 TYR A 37 15.401 -6.627 1.776 1.00 0.00 H new ATOM 0 HB3 TYR A 37 14.202 -7.410 0.765 1.00 0.00 H new ATOM 0 HD1 TYR A 37 15.390 -7.024 4.254 1.00 0.00 H new ATOM 0 HD2 TYR A 37 12.335 -8.609 1.748 1.00 0.00 H new ATOM 0 HE1 TYR A 37 13.974 -7.400 6.222 1.00 0.00 H new ATOM 0 HE2 TYR A 37 10.917 -8.986 3.717 1.00 0.00 H new ATOM 0 HH TYR A 37 10.716 -8.823 5.908 1.00 0.00 H new ATOM 586 N THR A 38 15.671 -8.801 -1.067 1.00 0.00 N ATOM 587 CA THR A 38 16.156 -8.766 -2.440 1.00 0.00 C ATOM 588 C THR A 38 15.259 -7.887 -3.321 1.00 0.00 C ATOM 589 O THR A 38 14.071 -7.728 -3.049 1.00 0.00 O ATOM 590 CB THR A 38 16.215 -10.196 -3.026 1.00 0.00 C ATOM 591 OG1 THR A 38 16.886 -11.076 -2.112 1.00 0.00 O ATOM 592 CG2 THR A 38 16.942 -10.216 -4.364 1.00 0.00 C ATOM 0 H THR A 38 14.687 -9.054 -0.980 1.00 0.00 H new ATOM 0 HA THR A 38 17.158 -8.338 -2.428 1.00 0.00 H new ATOM 0 HB THR A 38 15.190 -10.533 -3.181 1.00 0.00 H new ATOM 0 HG1 THR A 38 16.342 -11.879 -1.972 1.00 0.00 H new ATOM 0 HG21 THR A 38 16.967 -11.235 -4.750 1.00 0.00 H new ATOM 0 HG22 THR A 38 16.419 -9.573 -5.072 1.00 0.00 H new ATOM 0 HG23 THR A 38 17.961 -9.854 -4.230 1.00 0.00 H new ATOM 600 N LYS A 39 15.845 -7.323 -4.367 1.00 0.00 N ATOM 601 CA LYS A 39 15.142 -6.446 -5.299 1.00 0.00 C ATOM 602 C LYS A 39 14.310 -7.267 -6.279 1.00 0.00 C ATOM 603 O LYS A 39 14.793 -8.253 -6.836 1.00 0.00 O ATOM 604 CB LYS A 39 16.168 -5.607 -6.070 1.00 0.00 C ATOM 605 CG LYS A 39 15.569 -4.676 -7.114 1.00 0.00 C ATOM 606 CD LYS A 39 15.242 -3.305 -6.542 1.00 0.00 C ATOM 607 CE LYS A 39 16.497 -2.587 -6.058 1.00 0.00 C ATOM 608 NZ LYS A 39 16.242 -1.159 -5.741 1.00 0.00 N ATOM 0 H LYS A 39 16.829 -7.461 -4.597 1.00 0.00 H new ATOM 0 HA LYS A 39 14.473 -5.792 -4.739 1.00 0.00 H new ATOM 0 HB2 LYS A 39 16.740 -5.013 -5.358 1.00 0.00 H new ATOM 0 HB3 LYS A 39 16.871 -6.279 -6.562 1.00 0.00 H new ATOM 0 HG2 LYS A 39 16.268 -4.565 -7.943 1.00 0.00 H new ATOM 0 HG3 LYS A 39 14.662 -5.124 -7.520 1.00 0.00 H new ATOM 0 HD2 LYS A 39 14.747 -2.701 -7.302 1.00 0.00 H new ATOM 0 HD3 LYS A 39 14.541 -3.413 -5.714 1.00 0.00 H new ATOM 0 HE2 LYS A 39 16.882 -3.091 -5.171 1.00 0.00 H new ATOM 0 HE3 LYS A 39 17.270 -2.655 -6.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 39 17.058 -0.766 -5.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 39 16.098 -0.628 -6.623 1.00 0.00 H new ATOM 0 HZ3 LYS A 39 15.391 -1.082 -5.148 1.00 0.00 H new ATOM 622 N ILE A 40 13.063 -6.866 -6.483 1.00 0.00 N ATOM 623 CA ILE A 40 12.203 -7.534 -7.456 1.00 0.00 C ATOM 624 C ILE A 40 11.630 -6.548 -8.462 1.00 0.00 C ATOM 625 O ILE A 40 10.668 -6.852 -9.171 1.00 0.00 O ATOM 626 CB ILE A 40 11.042 -8.283 -6.794 1.00 0.00 C ATOM 627 CG1 ILE A 40 10.292 -7.364 -5.830 1.00 0.00 C ATOM 628 CG2 ILE A 40 11.555 -9.527 -6.087 1.00 0.00 C ATOM 629 CD1 ILE A 40 8.975 -7.932 -5.355 1.00 0.00 C ATOM 0 H ILE A 40 12.624 -6.087 -5.992 1.00 0.00 H new ATOM 0 HA ILE A 40 12.841 -8.255 -7.967 1.00 0.00 H new ATOM 0 HB ILE A 40 10.339 -8.599 -7.565 1.00 0.00 H new ATOM 0 HG12 ILE A 40 10.925 -7.164 -4.965 1.00 0.00 H new ATOM 0 HG13 ILE A 40 10.110 -6.408 -6.320 1.00 0.00 H new ATOM 0 HG21 ILE A 40 10.721 -10.051 -5.621 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.037 -10.184 -6.811 1.00 0.00 H new ATOM 0 HG23 ILE A 40 12.276 -9.239 -5.322 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.499 -7.226 -4.675 1.00 0.00 H new ATOM 0 HD12 ILE A 40 8.324 -8.106 -6.212 1.00 0.00 H new ATOM 0 HD13 ILE A 40 9.151 -8.874 -4.836 1.00 0.00 H new ATOM 641 N GLY A 41 12.213 -5.367 -8.502 1.00 0.00 N ATOM 642 CA GLY A 41 11.816 -4.374 -9.475 1.00 0.00 C ATOM 643 C GLY A 41 11.109 -3.194 -8.849 1.00 0.00 C ATOM 644 O GLY A 41 10.732 -3.232 -7.678 1.00 0.00 O ATOM 0 H GLY A 41 12.961 -5.074 -7.873 1.00 0.00 H new ATOM 0 HA2 GLY A 41 12.698 -4.022 -10.009 1.00 0.00 H new ATOM 0 HA3 GLY A 41 11.160 -4.836 -10.213 1.00 0.00 H new ATOM 648 N THR A 42 10.943 -2.146 -9.629 1.00 0.00 N ATOM 649 CA THR A 42 10.270 -0.942 -9.175 1.00 0.00 C ATOM 650 C THR A 42 8.879 -0.849 -9.806 1.00 0.00 C ATOM 651 O THR A 42 8.614 -1.477 -10.834 1.00 0.00 O ATOM 652 CB THR A 42 11.091 0.307 -9.560 1.00 0.00 C ATOM 653 OG1 THR A 42 12.487 0.057 -9.342 1.00 0.00 O ATOM 654 CG2 THR A 42 10.676 1.531 -8.754 1.00 0.00 C ATOM 0 H THR A 42 11.269 -2.103 -10.594 1.00 0.00 H new ATOM 0 HA THR A 42 10.174 -0.987 -8.090 1.00 0.00 H new ATOM 0 HB THR A 42 10.900 0.511 -10.614 1.00 0.00 H new ATOM 0 HG1 THR A 42 12.659 -0.020 -8.380 1.00 0.00 H new ATOM 0 HG21 THR A 42 11.279 2.387 -9.057 1.00 0.00 H new ATOM 0 HG22 THR A 42 9.623 1.746 -8.935 1.00 0.00 H new ATOM 0 HG23 THR A 42 10.829 1.337 -7.692 1.00 0.00 H new ATOM 662 N ILE A 43 7.994 -0.090 -9.182 1.00 0.00 N ATOM 663 CA ILE A 43 6.697 0.221 -9.765 1.00 0.00 C ATOM 664 C ILE A 43 6.578 1.733 -9.925 1.00 0.00 C ATOM 665 O ILE A 43 7.354 2.484 -9.330 1.00 0.00 O ATOM 666 CB ILE A 43 5.517 -0.309 -8.912 1.00 0.00 C ATOM 667 CG1 ILE A 43 5.562 0.280 -7.503 1.00 0.00 C ATOM 668 CG2 ILE A 43 5.526 -1.832 -8.858 1.00 0.00 C ATOM 669 CD1 ILE A 43 4.468 -0.232 -6.589 1.00 0.00 C ATOM 0 H ILE A 43 8.151 0.326 -8.264 1.00 0.00 H new ATOM 0 HA ILE A 43 6.638 -0.277 -10.733 1.00 0.00 H new ATOM 0 HB ILE A 43 4.588 0.008 -9.387 1.00 0.00 H new ATOM 0 HG12 ILE A 43 6.530 0.055 -7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 43 5.487 1.365 -7.571 1.00 0.00 H new ATOM 0 HG21 ILE A 43 4.688 -2.180 -8.253 1.00 0.00 H new ATOM 0 HG22 ILE A 43 5.436 -2.232 -9.868 1.00 0.00 H new ATOM 0 HG23 ILE A 43 6.461 -2.175 -8.414 1.00 0.00 H new ATOM 0 HD11 ILE A 43 4.567 0.232 -5.608 1.00 0.00 H new ATOM 0 HD12 ILE A 43 3.495 0.017 -7.012 1.00 0.00 H new ATOM 0 HD13 ILE A 43 4.554 -1.314 -6.489 1.00 0.00 H new ATOM 681 N SER A 44 5.620 2.181 -10.718 1.00 0.00 N ATOM 682 CA SER A 44 5.484 3.603 -11.000 1.00 0.00 C ATOM 683 C SER A 44 4.022 3.959 -11.257 1.00 0.00 C ATOM 684 O SER A 44 3.146 3.088 -11.234 1.00 0.00 O ATOM 685 CB SER A 44 6.352 3.977 -12.211 1.00 0.00 C ATOM 686 OG SER A 44 6.423 5.384 -12.397 1.00 0.00 O ATOM 0 H SER A 44 4.929 1.587 -11.176 1.00 0.00 H new ATOM 0 HA SER A 44 5.824 4.171 -10.134 1.00 0.00 H new ATOM 0 HB2 SER A 44 7.357 3.578 -12.075 1.00 0.00 H new ATOM 0 HB3 SER A 44 5.943 3.512 -13.108 1.00 0.00 H new ATOM 0 HG SER A 44 6.985 5.583 -13.175 1.00 0.00 H new ATOM 692 N THR A 45 3.761 5.238 -11.487 1.00 0.00 N ATOM 693 CA THR A 45 2.421 5.711 -11.778 1.00 0.00 C ATOM 694 C THR A 45 2.407 6.543 -13.055 1.00 0.00 C ATOM 695 O THR A 45 3.250 7.422 -13.245 1.00 0.00 O ATOM 696 CB THR A 45 1.856 6.544 -10.611 1.00 0.00 C ATOM 697 OG1 THR A 45 2.899 7.332 -10.017 1.00 0.00 O ATOM 698 CG2 THR A 45 1.220 5.647 -9.562 1.00 0.00 C ATOM 0 H THR A 45 4.470 5.971 -11.477 1.00 0.00 H new ATOM 0 HA THR A 45 1.789 4.834 -11.916 1.00 0.00 H new ATOM 0 HB THR A 45 1.087 7.208 -11.006 1.00 0.00 H new ATOM 0 HG1 THR A 45 3.579 6.739 -9.633 1.00 0.00 H new ATOM 0 HG21 THR A 45 0.829 6.259 -8.749 1.00 0.00 H new ATOM 0 HG22 THR A 45 0.406 5.080 -10.013 1.00 0.00 H new ATOM 0 HG23 THR A 45 1.968 4.958 -9.170 1.00 0.00 H new ATOM 706 N THR A 46 1.474 6.238 -13.945 1.00 0.00 N ATOM 707 CA THR A 46 1.330 6.977 -15.190 1.00 0.00 C ATOM 708 C THR A 46 -0.108 6.864 -15.701 1.00 0.00 C ATOM 709 O THR A 46 -0.673 5.769 -15.746 1.00 0.00 O ATOM 710 CB THR A 46 2.310 6.453 -16.265 1.00 0.00 C ATOM 711 OG1 THR A 46 3.630 6.335 -15.706 1.00 0.00 O ATOM 712 CG2 THR A 46 2.358 7.387 -17.465 1.00 0.00 C ATOM 0 H THR A 46 0.802 5.480 -13.827 1.00 0.00 H new ATOM 0 HA THR A 46 1.565 8.023 -14.993 1.00 0.00 H new ATOM 0 HB THR A 46 1.956 5.477 -16.596 1.00 0.00 H new ATOM 0 HG1 THR A 46 4.247 6.001 -16.391 1.00 0.00 H new ATOM 0 HG21 THR A 46 3.055 6.993 -18.205 1.00 0.00 H new ATOM 0 HG22 THR A 46 1.365 7.463 -17.907 1.00 0.00 H new ATOM 0 HG23 THR A 46 2.689 8.375 -17.144 1.00 0.00 H new ATOM 720 N GLY A 47 -0.701 7.989 -16.071 1.00 0.00 N ATOM 721 CA GLY A 47 -2.084 7.984 -16.504 1.00 0.00 C ATOM 722 C GLY A 47 -2.858 9.179 -15.991 1.00 0.00 C ATOM 723 O GLY A 47 -4.008 9.384 -16.377 1.00 0.00 O ATOM 0 H GLY A 47 -0.251 8.904 -16.079 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.120 7.973 -17.593 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -2.565 7.069 -16.160 1.00 0.00 H new ATOM 727 N GLU A 48 -2.213 9.958 -15.124 1.00 0.00 N ATOM 728 CA GLU A 48 -2.800 11.168 -14.536 1.00 0.00 C ATOM 729 C GLU A 48 -4.049 10.838 -13.716 1.00 0.00 C ATOM 730 O GLU A 48 -5.162 10.766 -14.240 1.00 0.00 O ATOM 731 CB GLU A 48 -3.111 12.207 -15.623 1.00 0.00 C ATOM 732 CG GLU A 48 -1.918 12.485 -16.525 1.00 0.00 C ATOM 733 CD GLU A 48 -2.137 13.632 -17.484 1.00 0.00 C ATOM 734 OE1 GLU A 48 -3.111 13.596 -18.261 1.00 0.00 O ATOM 735 OE2 GLU A 48 -1.308 14.567 -17.496 1.00 0.00 O ATOM 0 H GLU A 48 -1.263 9.769 -14.806 1.00 0.00 H new ATOM 0 HA GLU A 48 -2.065 11.599 -13.856 1.00 0.00 H new ATOM 0 HB2 GLU A 48 -3.946 11.855 -16.229 1.00 0.00 H new ATOM 0 HB3 GLU A 48 -3.430 13.137 -15.151 1.00 0.00 H new ATOM 0 HG2 GLU A 48 -1.048 12.702 -15.905 1.00 0.00 H new ATOM 0 HG3 GLU A 48 -1.687 11.585 -17.095 1.00 0.00 H new ATOM 742 N MET A 49 -3.846 10.633 -12.419 1.00 0.00 N ATOM 743 CA MET A 49 -4.906 10.199 -11.517 1.00 0.00 C ATOM 744 C MET A 49 -4.853 11.010 -10.224 1.00 0.00 C ATOM 745 O MET A 49 -4.177 12.037 -10.161 1.00 0.00 O ATOM 746 CB MET A 49 -4.738 8.706 -11.203 1.00 0.00 C ATOM 747 CG MET A 49 -4.916 7.797 -12.410 1.00 0.00 C ATOM 748 SD MET A 49 -4.417 6.092 -12.089 1.00 0.00 S ATOM 749 CE MET A 49 -5.504 5.665 -10.730 1.00 0.00 C ATOM 0 H MET A 49 -2.942 10.763 -11.964 1.00 0.00 H new ATOM 0 HA MET A 49 -5.872 10.359 -11.996 1.00 0.00 H new ATOM 0 HB2 MET A 49 -3.746 8.543 -10.781 1.00 0.00 H new ATOM 0 HB3 MET A 49 -5.460 8.422 -10.438 1.00 0.00 H new ATOM 0 HG2 MET A 49 -5.961 7.812 -12.718 1.00 0.00 H new ATOM 0 HG3 MET A 49 -4.333 8.190 -13.243 1.00 0.00 H new ATOM 0 HE1 MET A 49 -5.455 4.591 -10.549 1.00 0.00 H new ATOM 0 HE2 MET A 49 -5.192 6.199 -9.833 1.00 0.00 H new ATOM 0 HE3 MET A 49 -6.527 5.945 -10.981 1.00 0.00 H new ATOM 759 N SER A 50 -5.581 10.567 -9.206 1.00 0.00 N ATOM 760 CA SER A 50 -5.478 11.167 -7.883 1.00 0.00 C ATOM 761 C SER A 50 -4.271 10.583 -7.149 1.00 0.00 C ATOM 762 O SER A 50 -3.971 9.400 -7.299 1.00 0.00 O ATOM 763 CB SER A 50 -6.756 10.908 -7.083 1.00 0.00 C ATOM 764 OG SER A 50 -7.900 11.407 -7.759 1.00 0.00 O ATOM 0 H SER A 50 -6.247 9.797 -9.271 1.00 0.00 H new ATOM 0 HA SER A 50 -5.348 12.244 -7.989 1.00 0.00 H new ATOM 0 HB2 SER A 50 -6.870 9.837 -6.913 1.00 0.00 H new ATOM 0 HB3 SER A 50 -6.676 11.379 -6.103 1.00 0.00 H new ATOM 0 HG SER A 50 -8.701 11.225 -7.224 1.00 0.00 H new ATOM 770 N PRO A 51 -3.563 11.394 -6.343 1.00 0.00 N ATOM 771 CA PRO A 51 -2.350 10.945 -5.650 1.00 0.00 C ATOM 772 C PRO A 51 -2.619 9.810 -4.661 1.00 0.00 C ATOM 773 O PRO A 51 -1.861 8.843 -4.600 1.00 0.00 O ATOM 774 CB PRO A 51 -1.845 12.198 -4.927 1.00 0.00 C ATOM 775 CG PRO A 51 -3.012 13.123 -4.869 1.00 0.00 C ATOM 776 CD PRO A 51 -3.870 12.805 -6.064 1.00 0.00 C ATOM 0 HA PRO A 51 -1.622 10.532 -6.349 1.00 0.00 H new ATOM 0 HB2 PRO A 51 -1.486 11.956 -3.927 1.00 0.00 H new ATOM 0 HB3 PRO A 51 -1.011 12.651 -5.463 1.00 0.00 H new ATOM 0 HG2 PRO A 51 -3.570 12.985 -3.943 1.00 0.00 H new ATOM 0 HG3 PRO A 51 -2.685 14.162 -4.892 1.00 0.00 H new ATOM 0 HD2 PRO A 51 -4.928 12.950 -5.848 1.00 0.00 H new ATOM 0 HD3 PRO A 51 -3.628 13.444 -6.913 1.00 0.00 H new ATOM 784 N LEU A 52 -3.704 9.918 -3.904 1.00 0.00 N ATOM 785 CA LEU A 52 -4.075 8.864 -2.965 1.00 0.00 C ATOM 786 C LEU A 52 -4.533 7.622 -3.719 1.00 0.00 C ATOM 787 O LEU A 52 -4.203 6.499 -3.348 1.00 0.00 O ATOM 788 CB LEU A 52 -5.180 9.338 -2.020 1.00 0.00 C ATOM 789 CG LEU A 52 -4.781 10.452 -1.052 1.00 0.00 C ATOM 790 CD1 LEU A 52 -5.963 10.838 -0.178 1.00 0.00 C ATOM 791 CD2 LEU A 52 -3.602 10.016 -0.196 1.00 0.00 C ATOM 0 H LEU A 52 -4.338 10.717 -3.920 1.00 0.00 H new ATOM 0 HA LEU A 52 -3.196 8.616 -2.370 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -6.023 9.684 -2.618 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -5.530 8.484 -1.440 1.00 0.00 H new ATOM 0 HG LEU A 52 -4.479 11.325 -1.631 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -5.665 11.632 0.507 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -6.781 11.189 -0.807 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -6.291 9.970 0.394 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -3.331 10.821 0.487 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -3.876 9.130 0.377 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -2.752 9.784 -0.838 1.00 0.00 H new ATOM 803 N ASP A 53 -5.274 7.840 -4.794 1.00 0.00 N ATOM 804 CA ASP A 53 -5.779 6.747 -5.619 1.00 0.00 C ATOM 805 C ASP A 53 -4.619 5.987 -6.257 1.00 0.00 C ATOM 806 O ASP A 53 -4.639 4.760 -6.357 1.00 0.00 O ATOM 807 CB ASP A 53 -6.710 7.304 -6.695 1.00 0.00 C ATOM 808 CG ASP A 53 -7.452 6.226 -7.452 1.00 0.00 C ATOM 809 OD1 ASP A 53 -7.745 5.166 -6.862 1.00 0.00 O ATOM 810 OD2 ASP A 53 -7.772 6.443 -8.638 1.00 0.00 O ATOM 0 H ASP A 53 -5.542 8.769 -5.119 1.00 0.00 H new ATOM 0 HA ASP A 53 -6.339 6.053 -4.991 1.00 0.00 H new ATOM 0 HB2 ASP A 53 -7.432 7.976 -6.230 1.00 0.00 H new ATOM 0 HB3 ASP A 53 -6.128 7.899 -7.399 1.00 0.00 H new ATOM 815 N ALA A 54 -3.604 6.735 -6.672 1.00 0.00 N ATOM 816 CA ALA A 54 -2.375 6.153 -7.200 1.00 0.00 C ATOM 817 C ALA A 54 -1.657 5.344 -6.129 1.00 0.00 C ATOM 818 O ALA A 54 -1.169 4.243 -6.382 1.00 0.00 O ATOM 819 CB ALA A 54 -1.454 7.250 -7.709 1.00 0.00 C ATOM 0 H ALA A 54 -3.608 7.755 -6.653 1.00 0.00 H new ATOM 0 HA ALA A 54 -2.640 5.489 -8.023 1.00 0.00 H new ATOM 0 HB1 ALA A 54 -0.540 6.805 -8.101 1.00 0.00 H new ATOM 0 HB2 ALA A 54 -1.955 7.807 -8.501 1.00 0.00 H new ATOM 0 HB3 ALA A 54 -1.206 7.926 -6.891 1.00 0.00 H new ATOM 825 N ARG A 55 -1.611 5.914 -4.933 1.00 0.00 N ATOM 826 CA ARG A 55 -0.946 5.327 -3.803 1.00 0.00 C ATOM 827 C ARG A 55 -1.532 3.958 -3.497 1.00 0.00 C ATOM 828 O ARG A 55 -0.806 2.974 -3.409 1.00 0.00 O ATOM 829 CB ARG A 55 -1.136 6.260 -2.617 1.00 0.00 C ATOM 830 CG ARG A 55 -0.008 6.228 -1.625 1.00 0.00 C ATOM 831 CD ARG A 55 -0.409 6.932 -0.340 1.00 0.00 C ATOM 832 NE ARG A 55 0.662 6.970 0.658 1.00 0.00 N ATOM 833 CZ ARG A 55 0.458 6.789 1.962 1.00 0.00 C ATOM 834 NH1 ARG A 55 -0.731 6.404 2.405 1.00 0.00 N ATOM 835 NH2 ARG A 55 1.454 6.966 2.819 1.00 0.00 N ATOM 0 H ARG A 55 -2.046 6.814 -4.728 1.00 0.00 H new ATOM 0 HA ARG A 55 0.115 5.194 -4.015 1.00 0.00 H new ATOM 0 HB2 ARG A 55 -1.253 7.279 -2.985 1.00 0.00 H new ATOM 0 HB3 ARG A 55 -2.062 5.997 -2.106 1.00 0.00 H new ATOM 0 HG2 ARG A 55 0.266 5.195 -1.410 1.00 0.00 H new ATOM 0 HG3 ARG A 55 0.872 6.709 -2.051 1.00 0.00 H new ATOM 0 HD2 ARG A 55 -0.715 7.952 -0.573 1.00 0.00 H new ATOM 0 HD3 ARG A 55 -1.276 6.428 0.087 1.00 0.00 H new ATOM 0 HE ARG A 55 1.615 7.144 0.338 1.00 0.00 H new ATOM 0 HH11 ARG A 55 -1.494 6.245 1.747 1.00 0.00 H new ATOM 0 HH12 ARG A 55 -0.883 6.267 3.404 1.00 0.00 H new ATOM 0 HH21 ARG A 55 2.376 7.241 2.480 1.00 0.00 H new ATOM 0 HH22 ARG A 55 1.298 6.828 3.817 1.00 0.00 H new ATOM 849 N GLU A 56 -2.853 3.905 -3.373 1.00 0.00 N ATOM 850 CA GLU A 56 -3.548 2.668 -3.038 1.00 0.00 C ATOM 851 C GLU A 56 -3.303 1.598 -4.097 1.00 0.00 C ATOM 852 O GLU A 56 -3.157 0.421 -3.775 1.00 0.00 O ATOM 853 CB GLU A 56 -5.049 2.928 -2.880 1.00 0.00 C ATOM 854 CG GLU A 56 -5.363 4.025 -1.876 1.00 0.00 C ATOM 855 CD GLU A 56 -6.847 4.268 -1.713 1.00 0.00 C ATOM 856 OE1 GLU A 56 -7.470 4.846 -2.630 1.00 0.00 O ATOM 857 OE2 GLU A 56 -7.399 3.889 -0.660 1.00 0.00 O ATOM 0 H GLU A 56 -3.467 4.709 -3.500 1.00 0.00 H new ATOM 0 HA GLU A 56 -3.152 2.302 -2.090 1.00 0.00 H new ATOM 0 HB2 GLU A 56 -5.468 3.200 -3.849 1.00 0.00 H new ATOM 0 HB3 GLU A 56 -5.540 2.006 -2.567 1.00 0.00 H new ATOM 0 HG2 GLU A 56 -4.935 3.759 -0.909 1.00 0.00 H new ATOM 0 HG3 GLU A 56 -4.881 4.950 -2.194 1.00 0.00 H new ATOM 864 N ASP A 57 -3.228 2.020 -5.354 1.00 0.00 N ATOM 865 CA ASP A 57 -2.965 1.102 -6.454 1.00 0.00 C ATOM 866 C ASP A 57 -1.551 0.560 -6.354 1.00 0.00 C ATOM 867 O ASP A 57 -1.316 -0.635 -6.519 1.00 0.00 O ATOM 868 CB ASP A 57 -3.156 1.809 -7.797 1.00 0.00 C ATOM 869 CG ASP A 57 -2.849 0.906 -8.978 1.00 0.00 C ATOM 870 OD1 ASP A 57 -3.714 0.085 -9.343 1.00 0.00 O ATOM 871 OD2 ASP A 57 -1.745 1.025 -9.556 1.00 0.00 O ATOM 0 H ASP A 57 -3.346 2.993 -5.636 1.00 0.00 H new ATOM 0 HA ASP A 57 -3.671 0.274 -6.390 1.00 0.00 H new ATOM 0 HB2 ASP A 57 -4.183 2.165 -7.874 1.00 0.00 H new ATOM 0 HB3 ASP A 57 -2.511 2.686 -7.837 1.00 0.00 H new ATOM 876 N LEU A 58 -0.619 1.451 -6.057 1.00 0.00 N ATOM 877 CA LEU A 58 0.784 1.089 -5.918 1.00 0.00 C ATOM 878 C LEU A 58 0.988 0.141 -4.746 1.00 0.00 C ATOM 879 O LEU A 58 1.616 -0.910 -4.881 1.00 0.00 O ATOM 880 CB LEU A 58 1.633 2.347 -5.710 1.00 0.00 C ATOM 881 CG LEU A 58 1.838 3.221 -6.947 1.00 0.00 C ATOM 882 CD1 LEU A 58 2.756 4.388 -6.618 1.00 0.00 C ATOM 883 CD2 LEU A 58 2.406 2.400 -8.092 1.00 0.00 C ATOM 0 H LEU A 58 -0.811 2.441 -5.906 1.00 0.00 H new ATOM 0 HA LEU A 58 1.095 0.585 -6.833 1.00 0.00 H new ATOM 0 HB2 LEU A 58 1.167 2.953 -4.933 1.00 0.00 H new ATOM 0 HB3 LEU A 58 2.611 2.045 -5.335 1.00 0.00 H new ATOM 0 HG LEU A 58 0.871 3.616 -7.259 1.00 0.00 H new ATOM 0 HD11 LEU A 58 2.895 5.004 -7.507 1.00 0.00 H new ATOM 0 HD12 LEU A 58 2.310 4.990 -5.826 1.00 0.00 H new ATOM 0 HD13 LEU A 58 3.722 4.008 -6.285 1.00 0.00 H new ATOM 0 HD21 LEU A 58 2.545 3.039 -8.964 1.00 0.00 H new ATOM 0 HD22 LEU A 58 3.366 1.977 -7.795 1.00 0.00 H new ATOM 0 HD23 LEU A 58 1.715 1.594 -8.339 1.00 0.00 H new ATOM 895 N ILE A 59 0.430 0.519 -3.609 1.00 0.00 N ATOM 896 CA ILE A 59 0.608 -0.214 -2.371 1.00 0.00 C ATOM 897 C ILE A 59 0.017 -1.616 -2.468 1.00 0.00 C ATOM 898 O ILE A 59 0.671 -2.596 -2.103 1.00 0.00 O ATOM 899 CB ILE A 59 -0.029 0.552 -1.188 1.00 0.00 C ATOM 900 CG1 ILE A 59 0.664 1.908 -1.010 1.00 0.00 C ATOM 901 CG2 ILE A 59 0.063 -0.262 0.097 1.00 0.00 C ATOM 902 CD1 ILE A 59 -0.172 2.934 -0.269 1.00 0.00 C ATOM 0 H ILE A 59 -0.161 1.346 -3.520 1.00 0.00 H new ATOM 0 HA ILE A 59 1.679 -0.308 -2.194 1.00 0.00 H new ATOM 0 HB ILE A 59 -1.083 0.717 -1.410 1.00 0.00 H new ATOM 0 HG12 ILE A 59 1.600 1.759 -0.471 1.00 0.00 H new ATOM 0 HG13 ILE A 59 0.922 2.305 -1.992 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -0.391 0.297 0.915 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -0.463 -1.208 -0.033 1.00 0.00 H new ATOM 0 HG23 ILE A 59 1.110 -0.458 0.329 1.00 0.00 H new ATOM 0 HD11 ILE A 59 0.387 3.866 -0.184 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -1.097 3.115 -0.817 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -0.408 2.560 0.727 1.00 0.00 H new ATOM 914 N LYS A 60 -1.202 -1.720 -2.993 1.00 0.00 N ATOM 915 CA LYS A 60 -1.860 -3.014 -3.085 1.00 0.00 C ATOM 916 C LYS A 60 -1.169 -3.892 -4.121 1.00 0.00 C ATOM 917 O LYS A 60 -0.950 -5.066 -3.880 1.00 0.00 O ATOM 918 CB LYS A 60 -3.357 -2.872 -3.403 1.00 0.00 C ATOM 919 CG LYS A 60 -3.662 -2.558 -4.857 1.00 0.00 C ATOM 920 CD LYS A 60 -5.146 -2.303 -5.085 1.00 0.00 C ATOM 921 CE LYS A 60 -6.007 -3.478 -4.642 1.00 0.00 C ATOM 922 NZ LYS A 60 -5.786 -4.698 -5.463 1.00 0.00 N ATOM 0 H LYS A 60 -1.744 -0.935 -3.355 1.00 0.00 H new ATOM 0 HA LYS A 60 -1.779 -3.494 -2.110 1.00 0.00 H new ATOM 0 HB2 LYS A 60 -3.863 -3.798 -3.130 1.00 0.00 H new ATOM 0 HB3 LYS A 60 -3.776 -2.083 -2.778 1.00 0.00 H new ATOM 0 HG2 LYS A 60 -3.092 -1.682 -5.166 1.00 0.00 H new ATOM 0 HG3 LYS A 60 -3.336 -3.388 -5.484 1.00 0.00 H new ATOM 0 HD2 LYS A 60 -5.447 -1.408 -4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 60 -5.321 -2.105 -6.143 1.00 0.00 H new ATOM 0 HE2 LYS A 60 -5.793 -3.705 -3.598 1.00 0.00 H new ATOM 0 HE3 LYS A 60 -7.058 -3.194 -4.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 -6.177 -5.525 -4.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 -6.260 -4.589 -6.382 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 -4.766 -4.835 -5.614 1.00 0.00 H new ATOM 936 N LYS A 61 -0.781 -3.302 -5.246 1.00 0.00 N ATOM 937 CA LYS A 61 -0.199 -4.052 -6.350 1.00 0.00 C ATOM 938 C LYS A 61 1.174 -4.605 -5.984 1.00 0.00 C ATOM 939 O LYS A 61 1.500 -5.741 -6.316 1.00 0.00 O ATOM 940 CB LYS A 61 -0.095 -3.136 -7.563 1.00 0.00 C ATOM 941 CG LYS A 61 -0.619 -3.751 -8.841 1.00 0.00 C ATOM 942 CD LYS A 61 -0.953 -2.681 -9.871 1.00 0.00 C ATOM 943 CE LYS A 61 0.233 -1.766 -10.143 1.00 0.00 C ATOM 944 NZ LYS A 61 -0.131 -0.634 -11.034 1.00 0.00 N ATOM 0 H LYS A 61 -0.860 -2.300 -5.417 1.00 0.00 H new ATOM 0 HA LYS A 61 -0.841 -4.903 -6.578 1.00 0.00 H new ATOM 0 HB2 LYS A 61 -0.646 -2.217 -7.361 1.00 0.00 H new ATOM 0 HB3 LYS A 61 0.949 -2.857 -7.707 1.00 0.00 H new ATOM 0 HG2 LYS A 61 0.125 -4.434 -9.251 1.00 0.00 H new ATOM 0 HG3 LYS A 61 -1.509 -4.342 -8.625 1.00 0.00 H new ATOM 0 HD2 LYS A 61 -1.265 -3.157 -10.801 1.00 0.00 H new ATOM 0 HD3 LYS A 61 -1.796 -2.087 -9.518 1.00 0.00 H new ATOM 0 HE2 LYS A 61 0.614 -1.376 -9.199 1.00 0.00 H new ATOM 0 HE3 LYS A 61 1.038 -2.342 -10.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 0.733 -0.219 -11.438 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 -0.742 -0.979 -11.802 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 -0.639 0.089 -10.486 1.00 0.00 H new ATOM 958 N ALA A 62 1.979 -3.793 -5.313 1.00 0.00 N ATOM 959 CA ALA A 62 3.276 -4.241 -4.819 1.00 0.00 C ATOM 960 C ALA A 62 3.107 -5.414 -3.855 1.00 0.00 C ATOM 961 O ALA A 62 3.792 -6.436 -3.967 1.00 0.00 O ATOM 962 CB ALA A 62 3.998 -3.096 -4.131 1.00 0.00 C ATOM 0 H ALA A 62 1.758 -2.821 -5.098 1.00 0.00 H new ATOM 0 HA ALA A 62 3.873 -4.575 -5.668 1.00 0.00 H new ATOM 0 HB1 ALA A 62 4.965 -3.442 -3.766 1.00 0.00 H new ATOM 0 HB2 ALA A 62 4.148 -2.282 -4.840 1.00 0.00 H new ATOM 0 HB3 ALA A 62 3.400 -2.741 -3.292 1.00 0.00 H new ATOM 968 N ASP A 63 2.175 -5.252 -2.924 1.00 0.00 N ATOM 969 CA ASP A 63 1.828 -6.292 -1.957 1.00 0.00 C ATOM 970 C ASP A 63 1.288 -7.530 -2.672 1.00 0.00 C ATOM 971 O ASP A 63 1.605 -8.667 -2.318 1.00 0.00 O ATOM 972 CB ASP A 63 0.780 -5.739 -0.980 1.00 0.00 C ATOM 973 CG ASP A 63 0.279 -6.760 0.019 1.00 0.00 C ATOM 974 OD1 ASP A 63 0.877 -6.880 1.107 1.00 0.00 O ATOM 975 OD2 ASP A 63 -0.749 -7.416 -0.261 1.00 0.00 O ATOM 0 H ASP A 63 1.635 -4.393 -2.816 1.00 0.00 H new ATOM 0 HA ASP A 63 2.721 -6.584 -1.405 1.00 0.00 H new ATOM 0 HB2 ASP A 63 1.210 -4.896 -0.439 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -0.067 -5.355 -1.549 1.00 0.00 H new ATOM 980 N GLU A 64 0.494 -7.287 -3.706 1.00 0.00 N ATOM 981 CA GLU A 64 -0.141 -8.348 -4.471 1.00 0.00 C ATOM 982 C GLU A 64 0.845 -9.072 -5.384 1.00 0.00 C ATOM 983 O GLU A 64 0.638 -10.240 -5.717 1.00 0.00 O ATOM 984 CB GLU A 64 -1.310 -7.780 -5.276 1.00 0.00 C ATOM 985 CG GLU A 64 -2.541 -7.538 -4.429 1.00 0.00 C ATOM 986 CD GLU A 64 -3.727 -7.045 -5.224 1.00 0.00 C ATOM 987 OE1 GLU A 64 -3.584 -6.054 -5.969 1.00 0.00 O ATOM 988 OE2 GLU A 64 -4.819 -7.635 -5.088 1.00 0.00 O ATOM 0 H GLU A 64 0.273 -6.348 -4.037 1.00 0.00 H new ATOM 0 HA GLU A 64 -0.516 -9.088 -3.764 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -1.004 -6.843 -5.741 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -1.559 -8.469 -6.083 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -2.812 -8.464 -3.922 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -2.303 -6.809 -3.655 1.00 0.00 H new ATOM 995 N LYS A 65 1.918 -8.399 -5.791 1.00 0.00 N ATOM 996 CA LYS A 65 2.952 -9.066 -6.573 1.00 0.00 C ATOM 997 C LYS A 65 3.745 -9.997 -5.665 1.00 0.00 C ATOM 998 O LYS A 65 4.391 -10.942 -6.125 1.00 0.00 O ATOM 999 CB LYS A 65 3.889 -8.067 -7.274 1.00 0.00 C ATOM 1000 CG LYS A 65 4.664 -8.703 -8.429 1.00 0.00 C ATOM 1001 CD LYS A 65 5.541 -7.712 -9.184 1.00 0.00 C ATOM 1002 CE LYS A 65 6.852 -7.448 -8.461 1.00 0.00 C ATOM 1003 NZ LYS A 65 7.827 -6.728 -9.328 1.00 0.00 N ATOM 0 H LYS A 65 2.092 -7.413 -5.597 1.00 0.00 H new ATOM 0 HA LYS A 65 2.464 -9.642 -7.359 1.00 0.00 H new ATOM 0 HB2 LYS A 65 3.304 -7.228 -7.651 1.00 0.00 H new ATOM 0 HB3 LYS A 65 4.593 -7.663 -6.547 1.00 0.00 H new ATOM 0 HG2 LYS A 65 5.289 -9.507 -8.039 1.00 0.00 H new ATOM 0 HG3 LYS A 65 3.958 -9.157 -9.125 1.00 0.00 H new ATOM 0 HD2 LYS A 65 5.748 -8.098 -10.182 1.00 0.00 H new ATOM 0 HD3 LYS A 65 5.001 -6.774 -9.311 1.00 0.00 H new ATOM 0 HE2 LYS A 65 6.660 -6.860 -7.564 1.00 0.00 H new ATOM 0 HE3 LYS A 65 7.285 -8.394 -8.136 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 8.796 -6.969 -9.035 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 7.685 -7.010 -10.319 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 7.682 -5.702 -9.236 1.00 0.00 H new ATOM 1017 N GLY A 66 3.681 -9.726 -4.367 1.00 0.00 N ATOM 1018 CA GLY A 66 4.273 -10.619 -3.397 1.00 0.00 C ATOM 1019 C GLY A 66 5.371 -9.980 -2.577 1.00 0.00 C ATOM 1020 O GLY A 66 5.914 -10.622 -1.681 1.00 0.00 O ATOM 0 H GLY A 66 3.228 -8.902 -3.971 1.00 0.00 H new ATOM 0 HA2 GLY A 66 3.494 -10.981 -2.726 1.00 0.00 H new ATOM 0 HA3 GLY A 66 4.677 -11.489 -3.915 1.00 0.00 H new ATOM 1024 N ALA A 67 5.681 -8.715 -2.865 1.00 0.00 N ATOM 1025 CA ALA A 67 6.783 -8.012 -2.198 1.00 0.00 C ATOM 1026 C ALA A 67 6.607 -8.020 -0.686 1.00 0.00 C ATOM 1027 O ALA A 67 5.488 -8.016 -0.185 1.00 0.00 O ATOM 1028 CB ALA A 67 6.884 -6.579 -2.705 1.00 0.00 C ATOM 0 H ALA A 67 5.185 -8.154 -3.557 1.00 0.00 H new ATOM 0 HA ALA A 67 7.707 -8.539 -2.436 1.00 0.00 H new ATOM 0 HB1 ALA A 67 7.706 -6.072 -2.200 1.00 0.00 H new ATOM 0 HB2 ALA A 67 7.066 -6.585 -3.780 1.00 0.00 H new ATOM 0 HB3 ALA A 67 5.952 -6.053 -2.498 1.00 0.00 H new ATOM 1034 N ASP A 68 7.723 -8.035 0.027 1.00 0.00 N ATOM 1035 CA ASP A 68 7.714 -8.074 1.485 1.00 0.00 C ATOM 1036 C ASP A 68 7.912 -6.681 2.059 1.00 0.00 C ATOM 1037 O ASP A 68 7.317 -6.315 3.070 1.00 0.00 O ATOM 1038 CB ASP A 68 8.817 -9.002 1.999 1.00 0.00 C ATOM 1039 CG ASP A 68 8.523 -10.465 1.744 1.00 0.00 C ATOM 1040 OD1 ASP A 68 8.919 -10.983 0.680 1.00 0.00 O ATOM 1041 OD2 ASP A 68 7.916 -11.110 2.618 1.00 0.00 O ATOM 0 H ASP A 68 8.656 -8.021 -0.384 1.00 0.00 H new ATOM 0 HA ASP A 68 6.745 -8.455 1.808 1.00 0.00 H new ATOM 0 HB2 ASP A 68 9.760 -8.737 1.520 1.00 0.00 H new ATOM 0 HB3 ASP A 68 8.948 -8.844 3.070 1.00 0.00 H new ATOM 1046 N VAL A 69 8.760 -5.908 1.411 1.00 0.00 N ATOM 1047 CA VAL A 69 9.030 -4.543 1.843 1.00 0.00 C ATOM 1048 C VAL A 69 8.789 -3.583 0.692 1.00 0.00 C ATOM 1049 O VAL A 69 9.141 -3.880 -0.445 1.00 0.00 O ATOM 1050 CB VAL A 69 10.482 -4.382 2.355 1.00 0.00 C ATOM 1051 CG1 VAL A 69 10.794 -2.930 2.689 1.00 0.00 C ATOM 1052 CG2 VAL A 69 10.722 -5.254 3.574 1.00 0.00 C ATOM 0 H VAL A 69 9.277 -6.198 0.581 1.00 0.00 H new ATOM 0 HA VAL A 69 8.354 -4.315 2.667 1.00 0.00 H new ATOM 0 HB VAL A 69 11.148 -4.701 1.553 1.00 0.00 H new ATOM 0 HG11 VAL A 69 11.821 -2.851 3.046 1.00 0.00 H new ATOM 0 HG12 VAL A 69 10.672 -2.317 1.796 1.00 0.00 H new ATOM 0 HG13 VAL A 69 10.113 -2.581 3.465 1.00 0.00 H new ATOM 0 HG21 VAL A 69 11.749 -5.125 3.917 1.00 0.00 H new ATOM 0 HG22 VAL A 69 10.035 -4.965 4.369 1.00 0.00 H new ATOM 0 HG23 VAL A 69 10.555 -6.299 3.312 1.00 0.00 H new ATOM 1062 N VAL A 70 8.179 -2.444 0.978 1.00 0.00 N ATOM 1063 CA VAL A 70 7.942 -1.451 -0.052 1.00 0.00 C ATOM 1064 C VAL A 70 8.559 -0.117 0.348 1.00 0.00 C ATOM 1065 O VAL A 70 8.543 0.264 1.519 1.00 0.00 O ATOM 1066 CB VAL A 70 6.434 -1.271 -0.342 1.00 0.00 C ATOM 1067 CG1 VAL A 70 5.870 -2.506 -1.018 1.00 0.00 C ATOM 1068 CG2 VAL A 70 5.659 -0.979 0.931 1.00 0.00 C ATOM 0 H VAL A 70 7.843 -2.187 1.906 1.00 0.00 H new ATOM 0 HA VAL A 70 8.416 -1.809 -0.966 1.00 0.00 H new ATOM 0 HB VAL A 70 6.326 -0.418 -1.012 1.00 0.00 H new ATOM 0 HG11 VAL A 70 4.808 -2.360 -1.214 1.00 0.00 H new ATOM 0 HG12 VAL A 70 6.393 -2.676 -1.959 1.00 0.00 H new ATOM 0 HG13 VAL A 70 6.004 -3.370 -0.367 1.00 0.00 H new ATOM 0 HG21 VAL A 70 4.602 -0.858 0.694 1.00 0.00 H new ATOM 0 HG22 VAL A 70 5.781 -1.807 1.629 1.00 0.00 H new ATOM 0 HG23 VAL A 70 6.037 -0.063 1.385 1.00 0.00 H new ATOM 1078 N VAL A 71 9.110 0.580 -0.629 1.00 0.00 N ATOM 1079 CA VAL A 71 9.715 1.878 -0.401 1.00 0.00 C ATOM 1080 C VAL A 71 9.087 2.911 -1.321 1.00 0.00 C ATOM 1081 O VAL A 71 9.290 2.878 -2.536 1.00 0.00 O ATOM 1082 CB VAL A 71 11.241 1.846 -0.644 1.00 0.00 C ATOM 1083 CG1 VAL A 71 11.866 3.197 -0.351 1.00 0.00 C ATOM 1084 CG2 VAL A 71 11.897 0.761 0.197 1.00 0.00 C ATOM 0 H VAL A 71 9.150 0.264 -1.598 1.00 0.00 H new ATOM 0 HA VAL A 71 9.538 2.145 0.641 1.00 0.00 H new ATOM 0 HB VAL A 71 11.409 1.615 -1.696 1.00 0.00 H new ATOM 0 HG11 VAL A 71 12.940 3.147 -0.530 1.00 0.00 H new ATOM 0 HG12 VAL A 71 11.424 3.951 -1.002 1.00 0.00 H new ATOM 0 HG13 VAL A 71 11.683 3.464 0.690 1.00 0.00 H new ATOM 0 HG21 VAL A 71 12.971 0.756 0.011 1.00 0.00 H new ATOM 0 HG22 VAL A 71 11.713 0.958 1.253 1.00 0.00 H new ATOM 0 HG23 VAL A 71 11.478 -0.209 -0.070 1.00 0.00 H new ATOM 1094 N LEU A 72 8.315 3.813 -0.746 1.00 0.00 N ATOM 1095 CA LEU A 72 7.658 4.853 -1.523 1.00 0.00 C ATOM 1096 C LEU A 72 8.625 5.995 -1.801 1.00 0.00 C ATOM 1097 O LEU A 72 8.578 7.031 -1.140 1.00 0.00 O ATOM 1098 CB LEU A 72 6.420 5.381 -0.791 1.00 0.00 C ATOM 1099 CG LEU A 72 5.339 4.342 -0.502 1.00 0.00 C ATOM 1100 CD1 LEU A 72 4.189 4.968 0.268 1.00 0.00 C ATOM 1101 CD2 LEU A 72 4.836 3.722 -1.793 1.00 0.00 C ATOM 0 H LEU A 72 8.126 3.849 0.256 1.00 0.00 H new ATOM 0 HA LEU A 72 7.339 4.419 -2.471 1.00 0.00 H new ATOM 0 HB2 LEU A 72 6.738 5.823 0.153 1.00 0.00 H new ATOM 0 HB3 LEU A 72 5.981 6.182 -1.386 1.00 0.00 H new ATOM 0 HG LEU A 72 5.777 3.555 0.111 1.00 0.00 H new ATOM 0 HD11 LEU A 72 3.429 4.212 0.465 1.00 0.00 H new ATOM 0 HD12 LEU A 72 4.558 5.366 1.213 1.00 0.00 H new ATOM 0 HD13 LEU A 72 3.754 5.776 -0.321 1.00 0.00 H new ATOM 0 HD21 LEU A 72 4.066 2.984 -1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 72 4.416 4.500 -2.431 1.00 0.00 H new ATOM 0 HD23 LEU A 72 5.664 3.236 -2.310 1.00 0.00 H new ATOM 1113 N THR A 73 9.522 5.787 -2.757 1.00 0.00 N ATOM 1114 CA THR A 73 10.475 6.812 -3.149 1.00 0.00 C ATOM 1115 C THR A 73 9.746 8.028 -3.699 1.00 0.00 C ATOM 1116 O THR A 73 10.104 9.168 -3.396 1.00 0.00 O ATOM 1117 CB THR A 73 11.466 6.266 -4.193 1.00 0.00 C ATOM 1118 OG1 THR A 73 10.769 5.443 -5.141 1.00 0.00 O ATOM 1119 CG2 THR A 73 12.562 5.453 -3.525 1.00 0.00 C ATOM 0 H THR A 73 9.608 4.913 -3.276 1.00 0.00 H new ATOM 0 HA THR A 73 11.039 7.111 -2.265 1.00 0.00 H new ATOM 0 HB THR A 73 11.924 7.112 -4.706 1.00 0.00 H new ATOM 0 HG1 THR A 73 9.808 5.627 -5.090 1.00 0.00 H new ATOM 0 HG21 THR A 73 13.250 5.078 -4.283 1.00 0.00 H new ATOM 0 HG22 THR A 73 13.106 6.084 -2.822 1.00 0.00 H new ATOM 0 HG23 THR A 73 12.118 4.613 -2.991 1.00 0.00 H new ATOM 1127 N SER A 74 8.712 7.758 -4.494 1.00 0.00 N ATOM 1128 CA SER A 74 7.817 8.782 -5.015 1.00 0.00 C ATOM 1129 C SER A 74 8.557 9.807 -5.872 1.00 0.00 C ATOM 1130 O SER A 74 9.731 9.634 -6.207 1.00 0.00 O ATOM 1131 CB SER A 74 7.097 9.478 -3.855 1.00 0.00 C ATOM 1132 OG SER A 74 6.488 8.528 -2.995 1.00 0.00 O ATOM 0 H SER A 74 8.472 6.813 -4.795 1.00 0.00 H new ATOM 0 HA SER A 74 7.086 8.292 -5.658 1.00 0.00 H new ATOM 0 HB2 SER A 74 7.807 10.083 -3.291 1.00 0.00 H new ATOM 0 HB3 SER A 74 6.340 10.158 -4.247 1.00 0.00 H new ATOM 0 HG SER A 74 7.160 8.164 -2.381 1.00 0.00 H new ATOM 1138 N GLY A 75 7.841 10.849 -6.258 1.00 0.00 N ATOM 1139 CA GLY A 75 8.435 11.953 -6.952 1.00 0.00 C ATOM 1140 C GLY A 75 7.814 13.244 -6.488 1.00 0.00 C ATOM 1141 O GLY A 75 7.287 13.314 -5.375 1.00 0.00 O ATOM 0 H GLY A 75 6.838 10.943 -6.095 1.00 0.00 H new ATOM 0 HA2 GLY A 75 9.510 11.971 -6.772 1.00 0.00 H new ATOM 0 HA3 GLY A 75 8.294 11.837 -8.027 1.00 0.00 H new ATOM 1145 N GLN A 76 7.818 14.242 -7.340 1.00 0.00 N ATOM 1146 CA GLN A 76 7.265 15.538 -6.976 1.00 0.00 C ATOM 1147 C GLN A 76 6.623 16.210 -8.181 1.00 0.00 C ATOM 1148 O GLN A 76 6.887 17.373 -8.501 1.00 0.00 O ATOM 1149 CB GLN A 76 8.354 16.411 -6.367 1.00 0.00 C ATOM 1150 CG GLN A 76 7.817 17.569 -5.542 1.00 0.00 C ATOM 1151 CD GLN A 76 8.894 18.246 -4.727 1.00 0.00 C ATOM 1152 OE1 GLN A 76 10.062 18.282 -5.120 1.00 0.00 O ATOM 1153 NE2 GLN A 76 8.512 18.788 -3.586 1.00 0.00 N ATOM 0 H GLN A 76 8.194 14.189 -8.287 1.00 0.00 H new ATOM 0 HA GLN A 76 6.483 15.394 -6.230 1.00 0.00 H new ATOM 0 HB2 GLN A 76 8.993 15.793 -5.737 1.00 0.00 H new ATOM 0 HB3 GLN A 76 8.981 16.806 -7.167 1.00 0.00 H new ATOM 0 HG2 GLN A 76 7.354 18.300 -6.205 1.00 0.00 H new ATOM 0 HG3 GLN A 76 7.036 17.204 -4.875 1.00 0.00 H new ATOM 0 HE21 GLN A 76 7.535 18.735 -3.298 1.00 0.00 H new ATOM 0 HE22 GLN A 76 9.194 19.260 -2.992 1.00 0.00 H new ATOM 1162 N THR A 77 5.778 15.456 -8.846 1.00 0.00 N ATOM 1163 CA THR A 77 4.997 15.972 -9.952 1.00 0.00 C ATOM 1164 C THR A 77 3.544 15.555 -9.772 1.00 0.00 C ATOM 1165 O THR A 77 3.082 14.600 -10.385 1.00 0.00 O ATOM 1166 CB THR A 77 5.525 15.462 -11.309 1.00 0.00 C ATOM 1167 OG1 THR A 77 6.951 15.596 -11.361 1.00 0.00 O ATOM 1168 CG2 THR A 77 4.909 16.240 -12.462 1.00 0.00 C ATOM 0 H THR A 77 5.611 14.471 -8.638 1.00 0.00 H new ATOM 0 HA THR A 77 5.080 17.059 -9.954 1.00 0.00 H new ATOM 0 HB THR A 77 5.247 14.412 -11.405 1.00 0.00 H new ATOM 0 HG1 THR A 77 7.279 15.269 -12.225 1.00 0.00 H new ATOM 0 HG21 THR A 77 5.298 15.860 -13.406 1.00 0.00 H new ATOM 0 HG22 THR A 77 3.826 16.122 -12.443 1.00 0.00 H new ATOM 0 HG23 THR A 77 5.161 17.296 -12.364 1.00 0.00 H new ATOM 1176 N GLU A 78 2.836 16.266 -8.905 1.00 0.00 N ATOM 1177 CA GLU A 78 1.482 15.885 -8.512 1.00 0.00 C ATOM 1178 C GLU A 78 0.471 16.129 -9.628 1.00 0.00 C ATOM 1179 O GLU A 78 -0.637 15.602 -9.590 1.00 0.00 O ATOM 1180 CB GLU A 78 1.056 16.648 -7.255 1.00 0.00 C ATOM 1181 CG GLU A 78 1.674 16.123 -5.962 1.00 0.00 C ATOM 1182 CD GLU A 78 3.185 16.269 -5.915 1.00 0.00 C ATOM 1183 OE1 GLU A 78 3.672 17.409 -5.745 1.00 0.00 O ATOM 1184 OE2 GLU A 78 3.891 15.249 -6.054 1.00 0.00 O ATOM 0 H GLU A 78 3.178 17.116 -8.457 1.00 0.00 H new ATOM 0 HA GLU A 78 1.498 14.815 -8.303 1.00 0.00 H new ATOM 0 HB2 GLU A 78 1.325 17.698 -7.373 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -0.030 16.605 -7.169 1.00 0.00 H new ATOM 0 HG2 GLU A 78 1.238 16.656 -5.117 1.00 0.00 H new ATOM 0 HG3 GLU A 78 1.414 15.071 -5.844 1.00 0.00 H new ATOM 1191 N ASN A 79 0.862 16.935 -10.605 1.00 0.00 N ATOM 1192 CA ASN A 79 0.001 17.271 -11.731 1.00 0.00 C ATOM 1193 C ASN A 79 -0.490 16.015 -12.450 1.00 0.00 C ATOM 1194 O ASN A 79 -1.687 15.731 -12.471 1.00 0.00 O ATOM 1195 CB ASN A 79 0.769 18.170 -12.698 1.00 0.00 C ATOM 1196 CG ASN A 79 -0.116 18.817 -13.741 1.00 0.00 C ATOM 1197 OD1 ASN A 79 -1.113 18.251 -14.183 1.00 0.00 O ATOM 1198 ND2 ASN A 79 0.246 20.020 -14.132 1.00 0.00 N ATOM 0 H ASN A 79 1.782 17.374 -10.640 1.00 0.00 H new ATOM 0 HA ASN A 79 -0.876 17.798 -11.356 1.00 0.00 H new ATOM 0 HB2 ASN A 79 1.281 18.948 -12.132 1.00 0.00 H new ATOM 0 HB3 ASN A 79 1.538 17.581 -13.198 1.00 0.00 H new ATOM 0 HD21 ASN A 79 -0.309 20.519 -14.828 1.00 0.00 H new ATOM 0 HD22 ASN A 79 1.081 20.454 -13.739 1.00 0.00 H new ATOM 1205 N LYS A 80 0.438 15.266 -13.033 1.00 0.00 N ATOM 1206 CA LYS A 80 0.090 14.046 -13.754 1.00 0.00 C ATOM 1207 C LYS A 80 0.474 12.819 -12.945 1.00 0.00 C ATOM 1208 O LYS A 80 0.098 11.691 -13.271 1.00 0.00 O ATOM 1209 CB LYS A 80 0.799 14.008 -15.112 1.00 0.00 C ATOM 1210 CG LYS A 80 2.319 14.004 -15.010 1.00 0.00 C ATOM 1211 CD LYS A 80 2.996 13.814 -16.367 1.00 0.00 C ATOM 1212 CE LYS A 80 2.810 15.019 -17.286 1.00 0.00 C ATOM 1213 NZ LYS A 80 1.462 15.054 -17.916 1.00 0.00 N ATOM 0 H LYS A 80 1.435 15.480 -13.021 1.00 0.00 H new ATOM 0 HA LYS A 80 -0.988 14.042 -13.913 1.00 0.00 H new ATOM 0 HB2 LYS A 80 0.478 13.119 -15.655 1.00 0.00 H new ATOM 0 HB3 LYS A 80 0.485 14.871 -15.700 1.00 0.00 H new ATOM 0 HG2 LYS A 80 2.653 14.943 -14.569 1.00 0.00 H new ATOM 0 HG3 LYS A 80 2.633 13.207 -14.336 1.00 0.00 H new ATOM 0 HD2 LYS A 80 4.061 13.637 -16.217 1.00 0.00 H new ATOM 0 HD3 LYS A 80 2.590 12.926 -16.851 1.00 0.00 H new ATOM 0 HE2 LYS A 80 2.964 15.934 -16.715 1.00 0.00 H new ATOM 0 HE3 LYS A 80 3.571 14.998 -18.066 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 1.562 15.176 -18.944 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 0.964 14.162 -17.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 0.916 15.848 -17.525 1.00 0.00 H new ATOM 1227 N ILE A 81 1.199 13.083 -11.872 1.00 0.00 N ATOM 1228 CA ILE A 81 1.835 12.061 -11.045 1.00 0.00 C ATOM 1229 C ILE A 81 2.884 11.283 -11.839 1.00 0.00 C ATOM 1230 O ILE A 81 2.778 11.100 -13.054 1.00 0.00 O ATOM 1231 CB ILE A 81 0.830 11.069 -10.416 1.00 0.00 C ATOM 1232 CG1 ILE A 81 -0.401 11.806 -9.884 1.00 0.00 C ATOM 1233 CG2 ILE A 81 1.488 10.289 -9.281 1.00 0.00 C ATOM 1234 CD1 ILE A 81 -1.409 10.889 -9.232 1.00 0.00 C ATOM 0 H ILE A 81 1.368 14.033 -11.541 1.00 0.00 H new ATOM 0 HA ILE A 81 2.315 12.603 -10.230 1.00 0.00 H new ATOM 0 HB ILE A 81 0.515 10.373 -11.194 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -0.082 12.557 -9.161 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -0.881 12.338 -10.706 1.00 0.00 H new ATOM 0 HG21 ILE A 81 0.766 9.595 -8.850 1.00 0.00 H new ATOM 0 HG22 ILE A 81 2.340 9.731 -9.669 1.00 0.00 H new ATOM 0 HG23 ILE A 81 1.828 10.983 -8.512 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -2.257 11.474 -8.877 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -1.755 10.153 -9.958 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -0.944 10.377 -8.390 1.00 0.00 H new ATOM 1246 N HIS A 82 3.906 10.843 -11.139 1.00 0.00 N ATOM 1247 CA HIS A 82 4.976 10.062 -11.734 1.00 0.00 C ATOM 1248 C HIS A 82 5.792 9.437 -10.619 1.00 0.00 C ATOM 1249 O HIS A 82 6.987 9.181 -10.762 1.00 0.00 O ATOM 1250 CB HIS A 82 5.865 10.942 -12.622 1.00 0.00 C ATOM 1251 CG HIS A 82 6.620 10.169 -13.662 1.00 0.00 C ATOM 1252 ND1 HIS A 82 7.970 9.903 -13.582 1.00 0.00 N ATOM 1253 CD2 HIS A 82 6.197 9.610 -14.819 1.00 0.00 C ATOM 1254 CE1 HIS A 82 8.342 9.215 -14.645 1.00 0.00 C ATOM 1255 NE2 HIS A 82 7.286 9.023 -15.413 1.00 0.00 N ATOM 0 H HIS A 82 4.022 11.015 -10.140 1.00 0.00 H new ATOM 0 HA HIS A 82 4.551 9.282 -12.366 1.00 0.00 H new ATOM 0 HB2 HIS A 82 5.245 11.691 -13.115 1.00 0.00 H new ATOM 0 HB3 HIS A 82 6.575 11.480 -11.993 1.00 0.00 H new ATOM 0 HD2 HIS A 82 5.188 9.623 -15.204 1.00 0.00 H new ATOM 0 HE1 HIS A 82 9.343 8.867 -14.852 1.00 0.00 H new ATOM 0 HE2 HIS A 82 7.280 8.521 -16.301 1.00 0.00 H new ATOM 1264 N GLY A 83 5.121 9.187 -9.502 1.00 0.00 N ATOM 1265 CA GLY A 83 5.787 8.663 -8.335 1.00 0.00 C ATOM 1266 C GLY A 83 6.110 7.198 -8.483 1.00 0.00 C ATOM 1267 O GLY A 83 5.326 6.430 -9.044 1.00 0.00 O ATOM 0 H GLY A 83 4.119 9.341 -9.388 1.00 0.00 H new ATOM 0 HA2 GLY A 83 6.706 9.222 -8.160 1.00 0.00 H new ATOM 0 HA3 GLY A 83 5.154 8.809 -7.460 1.00 0.00 H new ATOM 1271 N THR A 84 7.266 6.817 -7.991 1.00 0.00 N ATOM 1272 CA THR A 84 7.717 5.444 -8.073 1.00 0.00 C ATOM 1273 C THR A 84 7.769 4.812 -6.690 1.00 0.00 C ATOM 1274 O THR A 84 7.855 5.509 -5.681 1.00 0.00 O ATOM 1275 CB THR A 84 9.117 5.369 -8.713 1.00 0.00 C ATOM 1276 OG1 THR A 84 10.010 6.270 -8.040 1.00 0.00 O ATOM 1277 CG2 THR A 84 9.059 5.722 -10.192 1.00 0.00 C ATOM 0 H THR A 84 7.919 7.446 -7.524 1.00 0.00 H new ATOM 0 HA THR A 84 7.006 4.898 -8.693 1.00 0.00 H new ATOM 0 HB THR A 84 9.482 4.347 -8.614 1.00 0.00 H new ATOM 0 HG1 THR A 84 10.206 5.927 -7.143 1.00 0.00 H new ATOM 0 HG21 THR A 84 10.060 5.662 -10.620 1.00 0.00 H new ATOM 0 HG22 THR A 84 8.401 5.022 -10.707 1.00 0.00 H new ATOM 0 HG23 THR A 84 8.675 6.735 -10.309 1.00 0.00 H new ATOM 1285 N ALA A 85 7.698 3.500 -6.646 1.00 0.00 N ATOM 1286 CA ALA A 85 7.912 2.777 -5.411 1.00 0.00 C ATOM 1287 C ALA A 85 8.791 1.574 -5.689 1.00 0.00 C ATOM 1288 O ALA A 85 8.548 0.828 -6.634 1.00 0.00 O ATOM 1289 CB ALA A 85 6.589 2.355 -4.795 1.00 0.00 C ATOM 0 H ALA A 85 7.493 2.910 -7.453 1.00 0.00 H new ATOM 0 HA ALA A 85 8.411 3.427 -4.693 1.00 0.00 H new ATOM 0 HB1 ALA A 85 6.776 1.813 -3.868 1.00 0.00 H new ATOM 0 HB2 ALA A 85 5.987 3.239 -4.584 1.00 0.00 H new ATOM 0 HB3 ALA A 85 6.053 1.709 -5.491 1.00 0.00 H new ATOM 1295 N ASP A 86 9.802 1.386 -4.870 1.00 0.00 N ATOM 1296 CA ASP A 86 10.757 0.318 -5.086 1.00 0.00 C ATOM 1297 C ASP A 86 10.547 -0.751 -4.034 1.00 0.00 C ATOM 1298 O ASP A 86 10.529 -0.461 -2.839 1.00 0.00 O ATOM 1299 CB ASP A 86 12.176 0.870 -5.040 1.00 0.00 C ATOM 1300 CG ASP A 86 13.203 -0.121 -5.533 1.00 0.00 C ATOM 1301 OD1 ASP A 86 13.351 -0.264 -6.768 1.00 0.00 O ATOM 1302 OD2 ASP A 86 13.891 -0.733 -4.696 1.00 0.00 O ATOM 0 H ASP A 86 9.986 1.959 -4.046 1.00 0.00 H new ATOM 0 HA ASP A 86 10.606 -0.125 -6.070 1.00 0.00 H new ATOM 0 HB2 ASP A 86 12.229 1.774 -5.646 1.00 0.00 H new ATOM 0 HB3 ASP A 86 12.417 1.158 -4.017 1.00 0.00 H new ATOM 1307 N ILE A 87 10.351 -1.975 -4.480 1.00 0.00 N ATOM 1308 CA ILE A 87 9.921 -3.033 -3.587 1.00 0.00 C ATOM 1309 C ILE A 87 10.955 -4.143 -3.449 1.00 0.00 C ATOM 1310 O ILE A 87 11.750 -4.399 -4.357 1.00 0.00 O ATOM 1311 CB ILE A 87 8.570 -3.617 -4.047 1.00 0.00 C ATOM 1312 CG1 ILE A 87 8.668 -4.175 -5.468 1.00 0.00 C ATOM 1313 CG2 ILE A 87 7.496 -2.545 -3.977 1.00 0.00 C ATOM 1314 CD1 ILE A 87 7.347 -4.673 -6.007 1.00 0.00 C ATOM 0 H ILE A 87 10.482 -2.262 -5.450 1.00 0.00 H new ATOM 0 HA ILE A 87 9.802 -2.581 -2.602 1.00 0.00 H new ATOM 0 HB ILE A 87 8.304 -4.438 -3.381 1.00 0.00 H new ATOM 0 HG12 ILE A 87 9.053 -3.399 -6.130 1.00 0.00 H new ATOM 0 HG13 ILE A 87 9.389 -4.992 -5.481 1.00 0.00 H new ATOM 0 HG21 ILE A 87 6.543 -2.963 -4.303 1.00 0.00 H new ATOM 0 HG22 ILE A 87 7.404 -2.189 -2.951 1.00 0.00 H new ATOM 0 HG23 ILE A 87 7.769 -1.713 -4.627 1.00 0.00 H new ATOM 0 HD11 ILE A 87 7.487 -5.055 -7.018 1.00 0.00 H new ATOM 0 HD12 ILE A 87 6.970 -5.471 -5.367 1.00 0.00 H new ATOM 0 HD13 ILE A 87 6.629 -3.853 -6.025 1.00 0.00 H new ATOM 1326 N TYR A 88 10.912 -4.813 -2.303 1.00 0.00 N ATOM 1327 CA TYR A 88 11.866 -5.859 -1.972 1.00 0.00 C ATOM 1328 C TYR A 88 11.154 -7.105 -1.458 1.00 0.00 C ATOM 1329 O TYR A 88 10.084 -7.022 -0.858 1.00 0.00 O ATOM 1330 CB TYR A 88 12.862 -5.369 -0.913 1.00 0.00 C ATOM 1331 CG TYR A 88 13.860 -4.350 -1.423 1.00 0.00 C ATOM 1332 CD1 TYR A 88 13.529 -3.005 -1.516 1.00 0.00 C ATOM 1333 CD2 TYR A 88 15.135 -4.739 -1.809 1.00 0.00 C ATOM 1334 CE1 TYR A 88 14.439 -2.077 -1.980 1.00 0.00 C ATOM 1335 CE2 TYR A 88 16.052 -3.815 -2.273 1.00 0.00 C ATOM 1336 CZ TYR A 88 15.700 -2.486 -2.356 1.00 0.00 C ATOM 1337 OH TYR A 88 16.612 -1.563 -2.824 1.00 0.00 O ATOM 0 H TYR A 88 10.214 -4.645 -1.579 1.00 0.00 H new ATOM 0 HA TYR A 88 12.407 -6.112 -2.884 1.00 0.00 H new ATOM 0 HB2 TYR A 88 12.307 -4.933 -0.083 1.00 0.00 H new ATOM 0 HB3 TYR A 88 13.406 -6.227 -0.517 1.00 0.00 H new ATOM 0 HD1 TYR A 88 12.543 -2.679 -1.220 1.00 0.00 H new ATOM 0 HD2 TYR A 88 15.415 -5.780 -1.746 1.00 0.00 H new ATOM 0 HE1 TYR A 88 14.164 -1.035 -2.048 1.00 0.00 H new ATOM 0 HE2 TYR A 88 17.040 -4.134 -2.569 1.00 0.00 H new ATOM 0 HH TYR A 88 17.452 -2.016 -3.044 1.00 0.00 H new ATOM 1347 N LYS A 89 11.757 -8.253 -1.710 1.00 0.00 N ATOM 1348 CA LYS A 89 11.245 -9.527 -1.231 1.00 0.00 C ATOM 1349 C LYS A 89 12.153 -10.082 -0.149 1.00 0.00 C ATOM 1350 O LYS A 89 13.314 -9.698 -0.061 1.00 0.00 O ATOM 1351 CB LYS A 89 11.191 -10.539 -2.376 1.00 0.00 C ATOM 1352 CG LYS A 89 9.983 -10.414 -3.272 1.00 0.00 C ATOM 1353 CD LYS A 89 8.723 -10.818 -2.543 1.00 0.00 C ATOM 1354 CE LYS A 89 8.738 -12.290 -2.152 1.00 0.00 C ATOM 1355 NZ LYS A 89 7.729 -12.582 -1.105 1.00 0.00 N ATOM 0 H LYS A 89 12.617 -8.330 -2.253 1.00 0.00 H new ATOM 0 HA LYS A 89 10.244 -9.361 -0.832 1.00 0.00 H new ATOM 0 HB2 LYS A 89 12.090 -10.429 -2.983 1.00 0.00 H new ATOM 0 HB3 LYS A 89 11.212 -11.544 -1.955 1.00 0.00 H new ATOM 0 HG2 LYS A 89 9.891 -9.386 -3.622 1.00 0.00 H new ATOM 0 HG3 LYS A 89 10.114 -11.041 -4.154 1.00 0.00 H new ATOM 0 HD2 LYS A 89 8.610 -10.206 -1.648 1.00 0.00 H new ATOM 0 HD3 LYS A 89 7.858 -10.620 -3.176 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.540 -12.904 -3.031 1.00 0.00 H new ATOM 0 HE3 LYS A 89 9.730 -12.562 -1.790 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 7.546 -13.605 -1.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 8.087 -12.267 -0.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 6.846 -12.078 -1.324 1.00 0.00 H new ATOM 1369 N LYS A 90 11.630 -10.989 0.664 1.00 0.00 N ATOM 1370 CA LYS A 90 12.457 -11.696 1.626 1.00 0.00 C ATOM 1371 C LYS A 90 13.493 -12.541 0.916 1.00 0.00 C ATOM 1372 O LYS A 90 13.340 -12.895 -0.257 1.00 0.00 O ATOM 1373 CB LYS A 90 11.617 -12.589 2.539 1.00 0.00 C ATOM 1374 CG LYS A 90 11.065 -11.868 3.747 1.00 0.00 C ATOM 1375 CD LYS A 90 10.225 -12.793 4.617 1.00 0.00 C ATOM 1376 CE LYS A 90 9.449 -12.027 5.682 1.00 0.00 C ATOM 1377 NZ LYS A 90 8.143 -11.524 5.171 1.00 0.00 N ATOM 0 H LYS A 90 10.644 -11.250 0.676 1.00 0.00 H new ATOM 0 HA LYS A 90 12.955 -10.944 2.238 1.00 0.00 H new ATOM 0 HB2 LYS A 90 10.789 -13.005 1.965 1.00 0.00 H new ATOM 0 HB3 LYS A 90 12.227 -13.428 2.874 1.00 0.00 H new ATOM 0 HG2 LYS A 90 11.887 -11.461 4.336 1.00 0.00 H new ATOM 0 HG3 LYS A 90 10.458 -11.023 3.421 1.00 0.00 H new ATOM 0 HD2 LYS A 90 9.528 -13.347 3.989 1.00 0.00 H new ATOM 0 HD3 LYS A 90 10.873 -13.526 5.098 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.276 -12.676 6.541 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.048 -11.187 6.033 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 8.084 -10.497 5.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 8.065 -11.730 4.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 7.367 -11.994 5.680 1.00 0.00 H new ATOM 1391 N LYS A 91 14.548 -12.849 1.626 1.00 0.00 N ATOM 1392 CA LYS A 91 15.580 -13.713 1.093 1.00 0.00 C ATOM 1393 C LYS A 91 15.357 -15.145 1.528 1.00 0.00 C ATOM 1394 O LYS A 91 14.487 -15.435 2.351 1.00 0.00 O ATOM 1395 CB LYS A 91 16.973 -13.251 1.510 1.00 0.00 C ATOM 1396 CG LYS A 91 17.532 -12.144 0.635 1.00 0.00 C ATOM 1397 CD LYS A 91 18.885 -11.676 1.132 1.00 0.00 C ATOM 1398 CE LYS A 91 19.789 -11.234 -0.012 1.00 0.00 C ATOM 1399 NZ LYS A 91 19.161 -10.192 -0.864 1.00 0.00 N ATOM 0 H LYS A 91 14.719 -12.516 2.575 1.00 0.00 H new ATOM 0 HA LYS A 91 15.518 -13.658 0.006 1.00 0.00 H new ATOM 0 HB2 LYS A 91 16.938 -12.904 2.543 1.00 0.00 H new ATOM 0 HB3 LYS A 91 17.653 -14.103 1.483 1.00 0.00 H new ATOM 0 HG2 LYS A 91 17.623 -12.500 -0.391 1.00 0.00 H new ATOM 0 HG3 LYS A 91 16.838 -11.304 0.620 1.00 0.00 H new ATOM 0 HD2 LYS A 91 18.750 -10.848 1.828 1.00 0.00 H new ATOM 0 HD3 LYS A 91 19.367 -12.482 1.685 1.00 0.00 H new ATOM 0 HE2 LYS A 91 20.724 -10.850 0.396 1.00 0.00 H new ATOM 0 HE3 LYS A 91 20.040 -12.098 -0.627 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 19.852 -9.853 -1.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 18.339 -10.595 -1.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 18.852 -9.397 -0.269 1.00 0.00 H new ATOM 1413 N LEU A 92 16.168 -16.032 0.984 1.00 0.00 N ATOM 1414 CA LEU A 92 16.032 -17.449 1.255 1.00 0.00 C ATOM 1415 C LEU A 92 16.935 -17.844 2.412 1.00 0.00 C ATOM 1416 O LEU A 92 16.922 -18.986 2.868 1.00 0.00 O ATOM 1417 CB LEU A 92 16.334 -18.295 0.005 1.00 0.00 C ATOM 1418 CG LEU A 92 17.775 -18.266 -0.523 1.00 0.00 C ATOM 1419 CD1 LEU A 92 18.027 -19.474 -1.411 1.00 0.00 C ATOM 1420 CD2 LEU A 92 18.063 -16.993 -1.312 1.00 0.00 C ATOM 0 H LEU A 92 16.930 -15.794 0.350 1.00 0.00 H new ATOM 0 HA LEU A 92 14.997 -17.646 1.533 1.00 0.00 H new ATOM 0 HB2 LEU A 92 16.075 -19.330 0.226 1.00 0.00 H new ATOM 0 HB3 LEU A 92 15.673 -17.964 -0.796 1.00 0.00 H new ATOM 0 HG LEU A 92 18.441 -18.290 0.340 1.00 0.00 H new ATOM 0 HD11 LEU A 92 19.052 -19.446 -1.782 1.00 0.00 H new ATOM 0 HD12 LEU A 92 17.874 -20.387 -0.835 1.00 0.00 H new ATOM 0 HD13 LEU A 92 17.336 -19.457 -2.254 1.00 0.00 H new ATOM 0 HD21 LEU A 92 19.093 -17.011 -1.668 1.00 0.00 H new ATOM 0 HD22 LEU A 92 17.385 -16.932 -2.164 1.00 0.00 H new ATOM 0 HD23 LEU A 92 17.917 -16.125 -0.669 1.00 0.00 H new ATOM 1432 N GLU A 93 17.711 -16.877 2.889 1.00 0.00 N ATOM 1433 CA GLU A 93 18.516 -17.066 4.078 1.00 0.00 C ATOM 1434 C GLU A 93 17.648 -16.837 5.303 1.00 0.00 C ATOM 1435 O GLU A 93 17.118 -15.746 5.510 1.00 0.00 O ATOM 1436 CB GLU A 93 19.709 -16.107 4.087 1.00 0.00 C ATOM 1437 CG GLU A 93 20.587 -16.239 5.324 1.00 0.00 C ATOM 1438 CD GLU A 93 21.238 -17.605 5.443 1.00 0.00 C ATOM 1439 OE1 GLU A 93 20.583 -18.547 5.944 1.00 0.00 O ATOM 1440 OE2 GLU A 93 22.405 -17.748 5.022 1.00 0.00 O ATOM 0 H GLU A 93 17.796 -15.953 2.465 1.00 0.00 H new ATOM 0 HA GLU A 93 18.906 -18.084 4.088 1.00 0.00 H new ATOM 0 HB2 GLU A 93 20.316 -16.287 3.200 1.00 0.00 H new ATOM 0 HB3 GLU A 93 19.342 -15.083 4.020 1.00 0.00 H new ATOM 0 HG2 GLU A 93 21.363 -15.474 5.296 1.00 0.00 H new ATOM 0 HG3 GLU A 93 19.985 -16.050 6.213 1.00 0.00 H new