USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 653 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 101 ASN : amide:sc= -0.866 X(o=-1.9,f=-1.7) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.07 X(o=-1.9,f=-2.1!) USER MOD Set 2.1: A 81 ASN :FLIP amide:sc= -0.276 F(o=-2.9,f=0.4) USER MOD Set 2.2: A 85 THR OG1 : rot -90:sc= 0.677 USER MOD Set 3.1: A 72 CYS SG : rot 44:sc= -0.185 USER MOD Set 3.2: A 98 TYR OH : rot 23:sc= 1.22 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 35 LYS NZ :NH3+ 145:sc=-0.00105 (180deg=-0.652) USER MOD Single : A 37 HIS : no HD1:sc= -0.555 X(o=-0.55,f=-1) USER MOD Single : A 48 LYS NZ :NH3+ -172:sc= 0 (180deg=-0.0238) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot 18:sc= 0.807 USER MOD Single : A 57 LYS NZ :NH3+ 179:sc= 0.716 (180deg=0.649) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.696 USER MOD Single : A 75 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00351) USER MOD Single : A 78 CYS SG : rot 32:sc= 0.24 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 8:sc= 0.128 USER MOD Single : A 87 SER OG : rot 180:sc=-0.00317 USER MOD Single : A 89 SER OG : rot 180:sc= -0.268 USER MOD Single : A 90 TYR OH : rot -12:sc= -0.756 USER MOD Single : A 93 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 159:sc= 0 (180deg=-0.271) USER MOD Single : A 112 SER OG : rot -157:sc= 0.67 USER MOD Single : A 115 LYS NZ :NH3+ 126:sc= 0.368 (180deg=0.284) USER MOD Single : A 120 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.625 19.546 -0.843 1.00 0.00 N ATOM 363 CA PRO A 29 2.864 18.301 -0.985 1.00 0.00 C ATOM 364 C PRO A 29 1.378 18.496 -0.704 1.00 0.00 C ATOM 365 O PRO A 29 1.000 19.194 0.237 1.00 0.00 O ATOM 366 CB PRO A 29 3.490 17.381 0.066 1.00 0.00 C ATOM 367 CG PRO A 29 4.060 18.304 1.087 1.00 0.00 C ATOM 368 CD PRO A 29 4.509 19.527 0.335 1.00 0.00 C ATOM 0 HA PRO A 29 2.913 17.907 -2.000 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.745 16.717 0.505 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.263 16.749 -0.371 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.315 18.561 1.840 1.00 0.00 H new ATOM 0 HG3 PRO A 29 4.895 17.839 1.610 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.399 20.431 0.935 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.559 19.460 0.049 1.00 0.00 H new ATOM 376 N ASP A 30 0.539 17.874 -1.526 1.00 0.00 N ATOM 377 CA ASP A 30 -0.907 17.977 -1.365 1.00 0.00 C ATOM 378 C ASP A 30 -1.563 16.603 -1.459 1.00 0.00 C ATOM 379 O ASP A 30 -1.877 16.111 -2.542 1.00 0.00 O ATOM 380 CB ASP A 30 -1.494 18.910 -2.426 1.00 0.00 C ATOM 381 CG ASP A 30 -1.409 20.369 -2.024 1.00 0.00 C ATOM 382 OD1 ASP A 30 -1.924 20.718 -0.941 1.00 0.00 O ATOM 383 OD2 ASP A 30 -0.826 21.163 -2.792 1.00 0.00 O ATOM 0 H ASP A 30 0.836 17.293 -2.310 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.110 18.390 -0.377 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -0.964 18.764 -3.367 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.536 18.645 -2.602 1.00 0.00 H new ATOM 388 N PRO A 31 -1.775 15.968 -0.297 1.00 0.00 N ATOM 389 CA PRO A 31 -2.396 14.642 -0.221 1.00 0.00 C ATOM 390 C PRO A 31 -3.876 14.673 -0.587 1.00 0.00 C ATOM 391 O PRO A 31 -4.422 13.690 -1.088 1.00 0.00 O ATOM 392 CB PRO A 31 -2.216 14.250 1.248 1.00 0.00 C ATOM 393 CG PRO A 31 -2.110 15.545 1.976 1.00 0.00 C ATOM 394 CD PRO A 31 -1.426 16.496 1.033 1.00 0.00 C ATOM 0 HA PRO A 31 -1.945 13.940 -0.922 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -3.061 13.662 1.607 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.322 13.642 1.389 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -3.095 15.916 2.258 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.538 15.429 2.897 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.781 17.518 1.165 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.347 16.511 1.189 1.00 0.00 H new ATOM 402 N SER A 32 -4.520 15.808 -0.332 1.00 0.00 N ATOM 403 CA SER A 32 -5.938 15.965 -0.632 1.00 0.00 C ATOM 404 C SER A 32 -6.205 15.761 -2.120 1.00 0.00 C ATOM 405 O SER A 32 -7.320 15.427 -2.523 1.00 0.00 O ATOM 406 CB SER A 32 -6.421 17.351 -0.202 1.00 0.00 C ATOM 407 OG SER A 32 -6.595 17.417 1.203 1.00 0.00 O ATOM 0 H SER A 32 -4.082 16.631 0.081 1.00 0.00 H new ATOM 0 HA SER A 32 -6.488 15.207 -0.075 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.700 18.105 -0.518 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.363 17.582 -0.700 1.00 0.00 H new ATOM 0 HG SER A 32 -6.902 18.313 1.453 1.00 0.00 H new ATOM 413 N LYS A 33 -5.174 15.963 -2.933 1.00 0.00 N ATOM 414 CA LYS A 33 -5.293 15.800 -4.377 1.00 0.00 C ATOM 415 C LYS A 33 -5.058 14.349 -4.782 1.00 0.00 C ATOM 416 O LYS A 33 -5.544 13.897 -5.819 1.00 0.00 O ATOM 417 CB LYS A 33 -4.296 16.710 -5.098 1.00 0.00 C ATOM 418 CG LYS A 33 -4.303 18.142 -4.591 1.00 0.00 C ATOM 419 CD LYS A 33 -5.308 18.996 -5.347 1.00 0.00 C ATOM 420 CE LYS A 33 -6.685 18.935 -4.706 1.00 0.00 C ATOM 421 NZ LYS A 33 -6.865 19.997 -3.677 1.00 0.00 N ATOM 0 H LYS A 33 -4.245 16.240 -2.616 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.306 16.080 -4.667 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.293 16.298 -4.985 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.522 16.710 -6.164 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.543 18.151 -3.528 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.307 18.571 -4.697 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -4.963 20.030 -5.372 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.371 18.656 -6.381 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.449 19.042 -5.476 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -6.829 17.957 -4.247 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -7.816 19.922 -3.263 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.152 19.880 -2.929 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.753 20.932 -4.119 1.00 0.00 H new ATOM 435 N VAL A 34 -4.311 13.622 -3.957 1.00 0.00 N ATOM 436 CA VAL A 34 -4.014 12.221 -4.229 1.00 0.00 C ATOM 437 C VAL A 34 -5.265 11.359 -4.102 1.00 0.00 C ATOM 438 O VAL A 34 -5.679 11.003 -2.999 1.00 0.00 O ATOM 439 CB VAL A 34 -2.934 11.681 -3.273 1.00 0.00 C ATOM 440 CG1 VAL A 34 -2.683 10.202 -3.530 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.648 12.480 -3.416 1.00 0.00 C ATOM 0 H VAL A 34 -3.901 13.980 -3.095 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.643 12.169 -5.253 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.292 11.792 -2.250 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -1.917 9.839 -2.845 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.606 9.644 -3.372 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.346 10.063 -4.557 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -0.896 12.085 -2.733 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.284 12.403 -4.441 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.841 13.526 -3.177 1.00 0.00 H new ATOM 451 N LYS A 35 -5.864 11.026 -5.241 1.00 0.00 N ATOM 452 CA LYS A 35 -7.069 10.204 -5.260 1.00 0.00 C ATOM 453 C LYS A 35 -6.796 8.855 -5.919 1.00 0.00 C ATOM 454 O LYS A 35 -6.221 8.790 -7.005 1.00 0.00 O ATOM 455 CB LYS A 35 -8.194 10.928 -6.002 1.00 0.00 C ATOM 456 CG LYS A 35 -9.007 11.857 -5.117 1.00 0.00 C ATOM 457 CD LYS A 35 -8.391 13.244 -5.050 1.00 0.00 C ATOM 458 CE LYS A 35 -9.408 14.286 -4.608 1.00 0.00 C ATOM 459 NZ LYS A 35 -9.112 15.628 -5.181 1.00 0.00 N ATOM 0 H LYS A 35 -5.535 11.313 -6.163 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.377 10.030 -4.229 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.765 11.504 -6.822 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.860 10.188 -6.446 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -10.025 11.928 -5.501 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -9.073 11.439 -4.113 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -7.551 13.237 -4.356 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -7.994 13.514 -6.028 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.406 13.972 -4.915 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -9.414 14.349 -3.520 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -10.004 16.122 -5.387 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -8.558 16.183 -4.497 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -8.567 15.518 -6.060 1.00 0.00 H new ATOM 473 N ALA A 36 -7.215 7.783 -5.255 1.00 0.00 N ATOM 474 CA ALA A 36 -7.019 6.436 -5.779 1.00 0.00 C ATOM 475 C ALA A 36 -8.336 5.838 -6.261 1.00 0.00 C ATOM 476 O ALA A 36 -9.272 5.660 -5.480 1.00 0.00 O ATOM 477 CB ALA A 36 -6.388 5.545 -4.719 1.00 0.00 C ATOM 0 H ALA A 36 -7.692 7.820 -4.354 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.345 6.499 -6.633 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.247 4.543 -5.123 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -5.422 5.957 -4.425 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.042 5.497 -3.848 1.00 0.00 H new ATOM 483 N HIS A 37 -8.403 5.529 -7.552 1.00 0.00 N ATOM 484 CA HIS A 37 -9.607 4.950 -8.138 1.00 0.00 C ATOM 485 C HIS A 37 -9.257 3.782 -9.055 1.00 0.00 C ATOM 486 O HIS A 37 -8.331 3.869 -9.861 1.00 0.00 O ATOM 487 CB HIS A 37 -10.381 6.013 -8.919 1.00 0.00 C ATOM 488 CG HIS A 37 -9.568 6.686 -9.982 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.361 6.139 -11.230 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.911 7.869 -9.977 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.611 6.956 -11.947 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.324 8.013 -11.210 1.00 0.00 N ATOM 0 H HIS A 37 -7.638 5.670 -8.212 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.233 4.577 -7.327 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.254 5.550 -9.379 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -10.750 6.767 -8.223 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.858 8.569 -9.156 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.287 6.788 -12.964 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.758 8.808 -11.508 1.00 0.00 H new ATOM 501 N GLY A 38 -10.004 2.690 -8.926 1.00 0.00 N ATOM 502 CA GLY A 38 -9.756 1.520 -9.749 1.00 0.00 C ATOM 503 C GLY A 38 -10.296 0.248 -9.125 1.00 0.00 C ATOM 504 O GLY A 38 -10.924 0.268 -8.067 1.00 0.00 O ATOM 0 H GLY A 38 -10.776 2.594 -8.267 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -10.214 1.664 -10.728 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.683 1.414 -9.912 1.00 0.00 H new ATOM 508 N PRO A 39 -10.053 -0.891 -9.791 1.00 0.00 N ATOM 509 CA PRO A 39 -10.512 -2.199 -9.315 1.00 0.00 C ATOM 510 C PRO A 39 -9.767 -2.655 -8.065 1.00 0.00 C ATOM 511 O PRO A 39 -10.377 -3.114 -7.100 1.00 0.00 O ATOM 512 CB PRO A 39 -10.207 -3.131 -10.490 1.00 0.00 C ATOM 513 CG PRO A 39 -9.090 -2.468 -11.219 1.00 0.00 C ATOM 514 CD PRO A 39 -9.311 -0.989 -11.059 1.00 0.00 C ATOM 0 HA PRO A 39 -11.564 -2.183 -9.028 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.920 -4.124 -10.144 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -11.079 -3.257 -11.132 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.125 -2.765 -10.808 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -9.089 -2.751 -12.272 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.368 -0.444 -11.016 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.881 -0.575 -11.891 1.00 0.00 H new ATOM 522 N GLY A 40 -8.444 -2.525 -8.090 1.00 0.00 N ATOM 523 CA GLY A 40 -7.638 -2.929 -6.952 1.00 0.00 C ATOM 524 C GLY A 40 -8.187 -2.408 -5.639 1.00 0.00 C ATOM 525 O GLY A 40 -7.889 -2.951 -4.574 1.00 0.00 O ATOM 0 H GLY A 40 -7.916 -2.148 -8.877 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.587 -4.017 -6.915 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.619 -2.567 -7.086 1.00 0.00 H new ATOM 529 N LEU A 41 -8.991 -1.353 -5.712 1.00 0.00 N ATOM 530 CA LEU A 41 -9.582 -0.758 -4.519 1.00 0.00 C ATOM 531 C LEU A 41 -10.888 -1.455 -4.152 1.00 0.00 C ATOM 532 O LEU A 41 -11.155 -1.717 -2.980 1.00 0.00 O ATOM 533 CB LEU A 41 -9.832 0.735 -4.740 1.00 0.00 C ATOM 534 CG LEU A 41 -8.632 1.554 -5.215 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.054 2.976 -5.549 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.536 1.555 -4.159 1.00 0.00 C ATOM 0 H LEU A 41 -9.248 -0.892 -6.585 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.880 -0.885 -3.695 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.633 0.844 -5.471 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.192 1.165 -3.805 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.237 1.093 -6.120 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.186 3.544 -5.885 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.804 2.957 -6.340 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.475 3.449 -4.662 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.689 2.143 -4.514 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.920 1.991 -3.237 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.213 0.531 -3.969 1.00 0.00 H new ATOM 548 N GLU A 42 -11.698 -1.754 -5.164 1.00 0.00 N ATOM 549 CA GLU A 42 -12.975 -2.423 -4.947 1.00 0.00 C ATOM 550 C GLU A 42 -12.765 -3.876 -4.534 1.00 0.00 C ATOM 551 O GLU A 42 -13.463 -4.392 -3.661 1.00 0.00 O ATOM 552 CB GLU A 42 -13.830 -2.360 -6.215 1.00 0.00 C ATOM 553 CG GLU A 42 -14.174 -0.945 -6.648 1.00 0.00 C ATOM 554 CD GLU A 42 -14.787 -0.891 -8.033 1.00 0.00 C ATOM 555 OE1 GLU A 42 -14.174 -1.437 -8.975 1.00 0.00 O ATOM 556 OE2 GLU A 42 -15.880 -0.304 -8.177 1.00 0.00 O ATOM 0 H GLU A 42 -11.492 -1.544 -6.141 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.495 -1.906 -4.140 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.300 -2.860 -7.026 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.754 -2.914 -6.048 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -14.868 -0.508 -5.930 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -13.271 -0.334 -6.630 1.00 0.00 H new ATOM 563 N GLY A 43 -11.798 -4.532 -5.168 1.00 0.00 N ATOM 564 CA GLY A 43 -11.513 -5.920 -4.853 1.00 0.00 C ATOM 565 C GLY A 43 -10.757 -6.623 -5.963 1.00 0.00 C ATOM 566 O GLY A 43 -10.095 -5.980 -6.777 1.00 0.00 O ATOM 0 H GLY A 43 -11.207 -4.127 -5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.930 -5.968 -3.933 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.449 -6.446 -4.665 1.00 0.00 H new ATOM 570 N GLY A 44 -10.854 -7.949 -5.996 1.00 0.00 N ATOM 571 CA GLY A 44 -10.167 -8.717 -7.018 1.00 0.00 C ATOM 572 C GLY A 44 -10.310 -10.212 -6.813 1.00 0.00 C ATOM 573 O GLY A 44 -11.395 -10.702 -6.497 1.00 0.00 O ATOM 0 H GLY A 44 -11.396 -8.504 -5.334 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.562 -8.448 -7.998 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -9.110 -8.453 -7.018 1.00 0.00 H new ATOM 577 N LEU A 45 -9.214 -10.940 -6.993 1.00 0.00 N ATOM 578 CA LEU A 45 -9.222 -12.390 -6.828 1.00 0.00 C ATOM 579 C LEU A 45 -7.954 -12.864 -6.125 1.00 0.00 C ATOM 580 O LEU A 45 -6.888 -12.268 -6.275 1.00 0.00 O ATOM 581 CB LEU A 45 -9.352 -13.077 -8.188 1.00 0.00 C ATOM 582 CG LEU A 45 -10.677 -12.869 -8.921 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.535 -13.226 -10.393 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.780 -13.695 -8.274 1.00 0.00 C ATOM 0 H LEU A 45 -8.308 -10.550 -7.253 1.00 0.00 H new ATOM 0 HA LEU A 45 -10.080 -12.656 -6.210 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.545 -12.723 -8.830 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.202 -14.147 -8.048 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.949 -11.816 -8.848 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.488 -13.072 -10.898 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -9.775 -12.592 -10.850 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.240 -14.271 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.716 -13.535 -8.809 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.515 -14.752 -8.315 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.900 -13.391 -7.234 1.00 0.00 H new ATOM 596 N VAL A 46 -8.077 -13.943 -5.358 1.00 0.00 N ATOM 597 CA VAL A 46 -6.941 -14.500 -4.634 1.00 0.00 C ATOM 598 C VAL A 46 -5.850 -14.960 -5.594 1.00 0.00 C ATOM 599 O VAL A 46 -6.135 -15.508 -6.658 1.00 0.00 O ATOM 600 CB VAL A 46 -7.367 -15.688 -3.750 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.182 -16.212 -2.952 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.505 -15.283 -2.826 1.00 0.00 C ATOM 0 H VAL A 46 -8.952 -14.449 -5.222 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.550 -13.706 -3.998 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.722 -16.490 -4.396 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.502 -17.051 -2.334 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.400 -16.543 -3.636 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.793 -15.418 -2.314 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.793 -16.134 -2.209 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -8.179 -14.464 -2.185 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.359 -14.960 -3.421 1.00 0.00 H new ATOM 612 N GLY A 47 -4.597 -14.734 -5.209 1.00 0.00 N ATOM 613 CA GLY A 47 -3.481 -15.132 -6.047 1.00 0.00 C ATOM 614 C GLY A 47 -3.483 -14.427 -7.389 1.00 0.00 C ATOM 615 O GLY A 47 -2.685 -14.749 -8.269 1.00 0.00 O ATOM 0 H GLY A 47 -4.335 -14.283 -4.332 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.547 -14.917 -5.529 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -3.516 -16.210 -6.206 1.00 0.00 H new ATOM 619 N LYS A 48 -4.384 -13.463 -7.548 1.00 0.00 N ATOM 620 CA LYS A 48 -4.488 -12.710 -8.792 1.00 0.00 C ATOM 621 C LYS A 48 -3.995 -11.279 -8.604 1.00 0.00 C ATOM 622 O LYS A 48 -4.111 -10.693 -7.528 1.00 0.00 O ATOM 623 CB LYS A 48 -5.936 -12.701 -9.287 1.00 0.00 C ATOM 624 CG LYS A 48 -6.364 -14.004 -9.938 1.00 0.00 C ATOM 625 CD LYS A 48 -6.056 -14.011 -11.426 1.00 0.00 C ATOM 626 CE LYS A 48 -6.055 -15.424 -11.989 1.00 0.00 C ATOM 627 NZ LYS A 48 -4.813 -16.164 -11.629 1.00 0.00 N ATOM 0 H LYS A 48 -5.053 -13.185 -6.830 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.859 -13.198 -9.537 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.597 -12.490 -8.446 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -6.061 -11.889 -10.003 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.853 -14.838 -9.456 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -7.433 -14.154 -9.786 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.795 -13.408 -11.954 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -5.084 -13.548 -11.600 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -6.923 -15.966 -11.612 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.152 -15.383 -13.074 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -4.788 -17.069 -12.140 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -3.982 -15.596 -11.890 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -4.801 -16.345 -10.605 1.00 0.00 H new ATOM 641 N PRO A 49 -3.432 -10.701 -9.676 1.00 0.00 N ATOM 642 CA PRO A 49 -2.912 -9.330 -9.654 1.00 0.00 C ATOM 643 C PRO A 49 -4.022 -8.290 -9.554 1.00 0.00 C ATOM 644 O PRO A 49 -4.999 -8.338 -10.302 1.00 0.00 O ATOM 645 CB PRO A 49 -2.182 -9.207 -10.994 1.00 0.00 C ATOM 646 CG PRO A 49 -2.849 -10.201 -11.882 1.00 0.00 C ATOM 647 CD PRO A 49 -3.260 -11.340 -10.991 1.00 0.00 C ATOM 0 HA PRO A 49 -2.276 -9.149 -8.788 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -2.264 -8.198 -11.398 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -1.119 -9.423 -10.887 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.714 -9.762 -12.379 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -2.171 -10.542 -12.664 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -4.183 -11.806 -11.335 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.500 -12.121 -10.962 1.00 0.00 H new ATOM 655 N ALA A 50 -3.866 -7.352 -8.627 1.00 0.00 N ATOM 656 CA ALA A 50 -4.855 -6.299 -8.431 1.00 0.00 C ATOM 657 C ALA A 50 -4.183 -4.942 -8.250 1.00 0.00 C ATOM 658 O ALA A 50 -3.431 -4.734 -7.299 1.00 0.00 O ATOM 659 CB ALA A 50 -5.736 -6.618 -7.233 1.00 0.00 C ATOM 0 H ALA A 50 -3.064 -7.299 -7.999 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.479 -6.250 -9.323 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.470 -5.823 -7.099 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.252 -7.563 -7.402 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.119 -6.697 -6.338 1.00 0.00 H new ATOM 665 N GLU A 51 -4.460 -4.022 -9.170 1.00 0.00 N ATOM 666 CA GLU A 51 -3.880 -2.685 -9.111 1.00 0.00 C ATOM 667 C GLU A 51 -4.951 -1.618 -9.317 1.00 0.00 C ATOM 668 O GLU A 51 -6.098 -1.928 -9.640 1.00 0.00 O ATOM 669 CB GLU A 51 -2.784 -2.534 -10.167 1.00 0.00 C ATOM 670 CG GLU A 51 -3.154 -3.125 -11.517 1.00 0.00 C ATOM 671 CD GLU A 51 -3.904 -2.144 -12.397 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.244 -1.316 -13.059 1.00 0.00 O ATOM 673 OE2 GLU A 51 -5.151 -2.204 -12.424 1.00 0.00 O ATOM 0 H GLU A 51 -5.081 -4.178 -9.964 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.443 -2.550 -8.122 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.556 -1.476 -10.293 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.875 -3.015 -9.806 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.247 -3.447 -12.029 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.767 -4.013 -11.365 1.00 0.00 H new ATOM 680 N PHE A 52 -4.569 -0.360 -9.126 1.00 0.00 N ATOM 681 CA PHE A 52 -5.495 0.754 -9.289 1.00 0.00 C ATOM 682 C PHE A 52 -4.787 1.969 -9.880 1.00 0.00 C ATOM 683 O PHE A 52 -3.567 1.969 -10.053 1.00 0.00 O ATOM 684 CB PHE A 52 -6.126 1.121 -7.944 1.00 0.00 C ATOM 685 CG PHE A 52 -5.150 1.119 -6.803 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.572 -0.063 -6.370 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.809 2.301 -6.164 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.672 -0.068 -5.321 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.910 2.302 -5.114 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.342 1.116 -4.692 1.00 0.00 C ATOM 0 H PHE A 52 -3.624 -0.086 -8.858 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.280 0.443 -9.978 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.579 2.109 -8.022 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.930 0.418 -7.725 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.828 -0.992 -6.858 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.251 3.231 -6.490 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.228 -0.996 -4.994 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.652 3.229 -4.624 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.640 1.115 -3.871 1.00 0.00 H new ATOM 700 N THR A 53 -5.560 3.006 -10.188 1.00 0.00 N ATOM 701 CA THR A 53 -5.008 4.227 -10.761 1.00 0.00 C ATOM 702 C THR A 53 -4.995 5.357 -9.738 1.00 0.00 C ATOM 703 O THR A 53 -6.031 5.702 -9.167 1.00 0.00 O ATOM 704 CB THR A 53 -5.808 4.679 -11.998 1.00 0.00 C ATOM 705 OG1 THR A 53 -5.989 3.576 -12.893 1.00 0.00 O ATOM 706 CG2 THR A 53 -5.094 5.812 -12.719 1.00 0.00 C ATOM 0 H THR A 53 -6.570 3.024 -10.050 1.00 0.00 H new ATOM 0 HA THR A 53 -3.985 4.001 -11.062 1.00 0.00 H new ATOM 0 HB THR A 53 -6.781 5.039 -11.664 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.500 3.870 -13.676 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.677 6.114 -13.589 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.983 6.660 -12.044 1.00 0.00 H new ATOM 0 HG23 THR A 53 -4.109 5.474 -13.042 1.00 0.00 H new ATOM 714 N ILE A 54 -3.818 5.931 -9.511 1.00 0.00 N ATOM 715 CA ILE A 54 -3.672 7.023 -8.557 1.00 0.00 C ATOM 716 C ILE A 54 -3.433 8.349 -9.273 1.00 0.00 C ATOM 717 O ILE A 54 -2.655 8.421 -10.224 1.00 0.00 O ATOM 718 CB ILE A 54 -2.512 6.765 -7.578 1.00 0.00 C ATOM 719 CG1 ILE A 54 -2.747 5.464 -6.807 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.358 7.936 -6.619 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.598 5.085 -5.900 1.00 0.00 C ATOM 0 H ILE A 54 -2.952 5.658 -9.975 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.604 7.078 -7.995 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.589 6.665 -8.149 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.653 5.563 -6.210 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -2.920 4.656 -7.518 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.534 7.739 -5.933 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.150 8.844 -7.184 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.280 8.065 -6.051 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -1.833 4.153 -5.385 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -0.694 4.953 -6.494 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.438 5.875 -5.166 1.00 0.00 H new ATOM 733 N ASP A 55 -4.107 9.395 -8.808 1.00 0.00 N ATOM 734 CA ASP A 55 -3.966 10.720 -9.402 1.00 0.00 C ATOM 735 C ASP A 55 -3.168 11.643 -8.487 1.00 0.00 C ATOM 736 O ASP A 55 -3.654 12.068 -7.438 1.00 0.00 O ATOM 737 CB ASP A 55 -5.343 11.325 -9.683 1.00 0.00 C ATOM 738 CG ASP A 55 -5.295 12.403 -10.748 1.00 0.00 C ATOM 739 OD1 ASP A 55 -4.448 12.297 -11.660 1.00 0.00 O ATOM 740 OD2 ASP A 55 -6.103 13.352 -10.670 1.00 0.00 O ATOM 0 H ASP A 55 -4.756 9.352 -8.022 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.425 10.614 -10.343 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.026 10.536 -9.999 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.747 11.746 -8.762 1.00 0.00 H new ATOM 745 N THR A 56 -1.939 11.949 -8.890 1.00 0.00 N ATOM 746 CA THR A 56 -1.072 12.820 -8.105 1.00 0.00 C ATOM 747 C THR A 56 -0.792 14.125 -8.842 1.00 0.00 C ATOM 748 O THR A 56 0.192 14.810 -8.561 1.00 0.00 O ATOM 749 CB THR A 56 0.266 12.132 -7.777 1.00 0.00 C ATOM 750 OG1 THR A 56 0.840 11.581 -8.968 1.00 0.00 O ATOM 751 CG2 THR A 56 0.070 11.030 -6.747 1.00 0.00 C ATOM 0 H THR A 56 -1.521 11.607 -9.755 1.00 0.00 H new ATOM 0 HA THR A 56 -1.598 13.036 -7.175 1.00 0.00 H new ATOM 0 HB THR A 56 0.941 12.881 -7.362 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.427 11.998 -9.753 1.00 0.00 H new ATOM 0 HG21 THR A 56 1.029 10.559 -6.531 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.339 11.457 -5.831 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.621 10.284 -7.139 1.00 0.00 H new ATOM 759 N LYS A 57 -1.664 14.465 -9.785 1.00 0.00 N ATOM 760 CA LYS A 57 -1.513 15.690 -10.561 1.00 0.00 C ATOM 761 C LYS A 57 -1.754 16.919 -9.691 1.00 0.00 C ATOM 762 O LYS A 57 -2.809 17.056 -9.072 1.00 0.00 O ATOM 763 CB LYS A 57 -2.483 15.691 -11.745 1.00 0.00 C ATOM 764 CG LYS A 57 -2.382 14.450 -12.615 1.00 0.00 C ATOM 765 CD LYS A 57 -1.287 14.589 -13.660 1.00 0.00 C ATOM 766 CE LYS A 57 -1.486 13.612 -14.809 1.00 0.00 C ATOM 767 NZ LYS A 57 -0.321 13.602 -15.736 1.00 0.00 N ATOM 0 H LYS A 57 -2.483 13.909 -10.030 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.491 15.728 -10.937 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -3.502 15.779 -11.369 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -2.293 16.571 -12.359 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.180 13.581 -11.989 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -3.337 14.272 -13.109 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -1.278 15.609 -14.045 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -0.316 14.414 -13.197 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -1.642 12.609 -14.410 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.387 13.879 -15.361 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -0.488 12.912 -16.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -0.198 14.548 -16.149 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 0.538 13.339 -15.212 1.00 0.00 H new ATOM 781 N GLY A 58 -0.770 17.813 -9.650 1.00 0.00 N ATOM 782 CA GLY A 58 -0.897 19.019 -8.854 1.00 0.00 C ATOM 783 C GLY A 58 -0.474 18.810 -7.413 1.00 0.00 C ATOM 784 O GLY A 58 -0.055 19.751 -6.740 1.00 0.00 O ATOM 0 H GLY A 58 0.112 17.723 -10.154 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -0.290 19.808 -9.297 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -1.932 19.360 -8.880 1.00 0.00 H new ATOM 788 N ALA A 59 -0.586 17.574 -6.939 1.00 0.00 N ATOM 789 CA ALA A 59 -0.212 17.245 -5.569 1.00 0.00 C ATOM 790 C ALA A 59 1.053 17.987 -5.152 1.00 0.00 C ATOM 791 O ALA A 59 1.114 18.571 -4.071 1.00 0.00 O ATOM 792 CB ALA A 59 -0.018 15.743 -5.421 1.00 0.00 C ATOM 0 H ALA A 59 -0.933 16.784 -7.483 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.021 17.562 -4.912 1.00 0.00 H new ATOM 0 HB1 ALA A 59 0.261 15.512 -4.393 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -0.947 15.230 -5.669 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.771 15.410 -6.095 1.00 0.00 H new ATOM 798 N GLY A 60 2.063 17.959 -6.017 1.00 0.00 N ATOM 799 CA GLY A 60 3.313 18.632 -5.719 1.00 0.00 C ATOM 800 C GLY A 60 4.494 17.682 -5.706 1.00 0.00 C ATOM 801 O GLY A 60 4.721 16.947 -6.667 1.00 0.00 O ATOM 0 H GLY A 60 2.037 17.482 -6.918 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.487 19.413 -6.459 1.00 0.00 H new ATOM 0 HA3 GLY A 60 3.235 19.123 -4.749 1.00 0.00 H new ATOM 805 N THR A 61 5.252 17.697 -4.613 1.00 0.00 N ATOM 806 CA THR A 61 6.418 16.833 -4.480 1.00 0.00 C ATOM 807 C THR A 61 6.512 16.250 -3.074 1.00 0.00 C ATOM 808 O THR A 61 6.382 16.969 -2.084 1.00 0.00 O ATOM 809 CB THR A 61 7.720 17.592 -4.797 1.00 0.00 C ATOM 810 OG1 THR A 61 7.562 18.355 -5.999 1.00 0.00 O ATOM 811 CG2 THR A 61 8.885 16.627 -4.952 1.00 0.00 C ATOM 0 H THR A 61 5.079 18.298 -3.808 1.00 0.00 H new ATOM 0 HA THR A 61 6.295 16.023 -5.199 1.00 0.00 H new ATOM 0 HB THR A 61 7.934 18.264 -3.966 1.00 0.00 H new ATOM 0 HG1 THR A 61 8.394 18.836 -6.193 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.793 17.186 -5.176 1.00 0.00 H new ATOM 0 HG22 THR A 61 9.021 16.069 -4.026 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.677 15.933 -5.766 1.00 0.00 H new ATOM 819 N GLY A 62 6.741 14.943 -2.994 1.00 0.00 N ATOM 820 CA GLY A 62 6.850 14.286 -1.705 1.00 0.00 C ATOM 821 C GLY A 62 6.874 12.775 -1.823 1.00 0.00 C ATOM 822 O GLY A 62 6.978 12.234 -2.923 1.00 0.00 O ATOM 0 H GLY A 62 6.853 14.327 -3.799 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.758 14.622 -1.205 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.011 14.585 -1.077 1.00 0.00 H new ATOM 826 N GLY A 63 6.778 12.092 -0.687 1.00 0.00 N ATOM 827 CA GLY A 63 6.793 10.641 -0.690 1.00 0.00 C ATOM 828 C GLY A 63 5.460 10.047 -0.280 1.00 0.00 C ATOM 829 O GLY A 63 4.650 10.709 0.369 1.00 0.00 O ATOM 0 H GLY A 63 6.690 12.518 0.236 1.00 0.00 H new ATOM 0 HA2 GLY A 63 7.055 10.285 -1.687 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.569 10.287 -0.011 1.00 0.00 H new ATOM 833 N LEU A 64 5.231 8.795 -0.661 1.00 0.00 N ATOM 834 CA LEU A 64 3.985 8.111 -0.331 1.00 0.00 C ATOM 835 C LEU A 64 4.262 6.774 0.349 1.00 0.00 C ATOM 836 O LEU A 64 5.161 6.036 -0.052 1.00 0.00 O ATOM 837 CB LEU A 64 3.151 7.891 -1.594 1.00 0.00 C ATOM 838 CG LEU A 64 1.818 7.166 -1.400 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.807 8.080 -0.725 1.00 0.00 C ATOM 840 CD2 LEU A 64 1.283 6.668 -2.735 1.00 0.00 C ATOM 0 H LEU A 64 5.891 8.233 -1.198 1.00 0.00 H new ATOM 0 HA LEU A 64 3.426 8.741 0.361 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.951 8.862 -2.047 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.750 7.324 -2.307 1.00 0.00 H new ATOM 0 HG LEU A 64 1.985 6.304 -0.754 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.135 7.547 -0.595 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.188 8.387 0.249 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.643 8.962 -1.345 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.334 6.155 -2.578 1.00 0.00 H new ATOM 0 HD22 LEU A 64 1.131 7.514 -3.405 1.00 0.00 H new ATOM 0 HD23 LEU A 64 2.000 5.978 -3.180 1.00 0.00 H new ATOM 852 N GLY A 65 3.480 6.467 1.381 1.00 0.00 N ATOM 853 CA GLY A 65 3.656 5.218 2.098 1.00 0.00 C ATOM 854 C GLY A 65 2.481 4.277 1.921 1.00 0.00 C ATOM 855 O GLY A 65 1.385 4.540 2.420 1.00 0.00 O ATOM 0 H GLY A 65 2.729 7.061 1.732 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.565 4.728 1.750 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.793 5.428 3.159 1.00 0.00 H new ATOM 859 N LEU A 66 2.706 3.179 1.208 1.00 0.00 N ATOM 860 CA LEU A 66 1.656 2.196 0.965 1.00 0.00 C ATOM 861 C LEU A 66 1.904 0.924 1.769 1.00 0.00 C ATOM 862 O LEU A 66 2.955 0.294 1.648 1.00 0.00 O ATOM 863 CB LEU A 66 1.578 1.863 -0.526 1.00 0.00 C ATOM 864 CG LEU A 66 0.243 1.303 -1.020 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.768 2.423 -1.208 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.436 0.533 -2.318 1.00 0.00 C ATOM 0 H LEU A 66 3.606 2.947 0.788 1.00 0.00 H new ATOM 0 HA LEU A 66 0.708 2.627 1.285 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.802 2.767 -1.092 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.360 1.140 -0.758 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.143 0.616 -0.267 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.712 2.006 -1.560 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.928 2.932 -0.258 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.390 3.135 -1.942 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.524 0.142 -2.655 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.844 1.199 -3.079 1.00 0.00 H new ATOM 0 HD23 LEU A 66 1.127 -0.294 -2.151 1.00 0.00 H new ATOM 878 N THR A 67 0.928 0.550 2.590 1.00 0.00 N ATOM 879 CA THR A 67 1.039 -0.647 3.414 1.00 0.00 C ATOM 880 C THR A 67 -0.285 -1.400 3.472 1.00 0.00 C ATOM 881 O THR A 67 -1.337 -0.809 3.718 1.00 0.00 O ATOM 882 CB THR A 67 1.484 -0.303 4.848 1.00 0.00 C ATOM 883 OG1 THR A 67 0.779 0.852 5.316 1.00 0.00 O ATOM 884 CG2 THR A 67 2.982 -0.046 4.903 1.00 0.00 C ATOM 0 H THR A 67 0.051 1.059 2.702 1.00 0.00 H new ATOM 0 HA THR A 67 1.794 -1.281 2.949 1.00 0.00 H new ATOM 0 HB THR A 67 1.254 -1.153 5.490 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.066 1.063 6.229 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.273 0.195 5.926 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.516 -0.937 4.574 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.232 0.789 4.248 1.00 0.00 H new ATOM 892 N VAL A 68 -0.228 -2.708 3.244 1.00 0.00 N ATOM 893 CA VAL A 68 -1.423 -3.542 3.272 1.00 0.00 C ATOM 894 C VAL A 68 -1.684 -4.082 4.673 1.00 0.00 C ATOM 895 O VAL A 68 -0.987 -4.981 5.142 1.00 0.00 O ATOM 896 CB VAL A 68 -1.306 -4.725 2.292 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.367 -5.773 2.590 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.414 -4.238 0.855 1.00 0.00 C ATOM 0 H VAL A 68 0.634 -3.213 3.038 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.257 -2.909 2.968 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.327 -5.187 2.423 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.268 -6.601 1.888 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.237 -6.143 3.607 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.357 -5.328 2.489 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.329 -5.086 0.176 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.377 -3.750 0.708 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.613 -3.528 0.650 1.00 0.00 H new ATOM 908 N GLU A 69 -2.693 -3.527 5.337 1.00 0.00 N ATOM 909 CA GLU A 69 -3.046 -3.954 6.686 1.00 0.00 C ATOM 910 C GLU A 69 -3.931 -5.196 6.651 1.00 0.00 C ATOM 911 O GLU A 69 -4.932 -5.280 7.361 1.00 0.00 O ATOM 912 CB GLU A 69 -3.762 -2.825 7.431 1.00 0.00 C ATOM 913 CG GLU A 69 -2.824 -1.918 8.209 1.00 0.00 C ATOM 914 CD GLU A 69 -2.444 -2.491 9.560 1.00 0.00 C ATOM 915 OE1 GLU A 69 -3.195 -2.269 10.532 1.00 0.00 O ATOM 916 OE2 GLU A 69 -1.395 -3.164 9.644 1.00 0.00 O ATOM 0 H GLU A 69 -3.280 -2.781 4.963 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.125 -4.201 7.213 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.321 -2.225 6.713 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.488 -3.258 8.119 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.920 -1.748 7.624 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -3.299 -0.947 8.351 1.00 0.00 H new ATOM 923 N GLY A 70 -3.554 -6.160 5.816 1.00 0.00 N ATOM 924 CA GLY A 70 -4.324 -7.385 5.702 1.00 0.00 C ATOM 925 C GLY A 70 -3.923 -8.421 6.733 1.00 0.00 C ATOM 926 O GLY A 70 -2.930 -8.267 7.445 1.00 0.00 O ATOM 0 H GLY A 70 -2.730 -6.114 5.217 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.384 -7.156 5.815 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.193 -7.801 4.703 1.00 0.00 H new ATOM 930 N PRO A 71 -4.707 -9.505 6.826 1.00 0.00 N ATOM 931 CA PRO A 71 -4.449 -10.590 7.776 1.00 0.00 C ATOM 932 C PRO A 71 -3.209 -11.398 7.410 1.00 0.00 C ATOM 933 O PRO A 71 -2.651 -12.110 8.246 1.00 0.00 O ATOM 934 CB PRO A 71 -5.704 -11.460 7.671 1.00 0.00 C ATOM 935 CG PRO A 71 -6.239 -11.190 6.307 1.00 0.00 C ATOM 936 CD PRO A 71 -5.907 -9.754 6.009 1.00 0.00 C ATOM 0 HA PRO A 71 -4.257 -10.214 8.781 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.466 -12.516 7.801 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.431 -11.200 8.440 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.787 -11.856 5.572 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.315 -11.358 6.270 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.710 -9.599 4.948 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.725 -9.087 6.282 1.00 0.00 H new ATOM 944 N CYS A 72 -2.782 -11.284 6.157 1.00 0.00 N ATOM 945 CA CYS A 72 -1.607 -12.005 5.680 1.00 0.00 C ATOM 946 C CYS A 72 -0.573 -11.040 5.108 1.00 0.00 C ATOM 947 O CYS A 72 -0.775 -9.827 5.110 1.00 0.00 O ATOM 948 CB CYS A 72 -2.008 -13.030 4.619 1.00 0.00 C ATOM 949 SG CYS A 72 -3.481 -12.576 3.673 1.00 0.00 S ATOM 0 H CYS A 72 -3.232 -10.699 5.453 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.162 -12.526 6.527 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -1.175 -13.168 3.930 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -2.183 -13.990 5.105 1.00 0.00 H new ATOM 0 HG CYS A 72 -3.419 -11.318 3.350 1.00 0.00 H new ATOM 955 N GLU A 73 0.535 -11.590 4.621 1.00 0.00 N ATOM 956 CA GLU A 73 1.602 -10.778 4.048 1.00 0.00 C ATOM 957 C GLU A 73 1.561 -10.822 2.524 1.00 0.00 C ATOM 958 O GLU A 73 2.190 -11.676 1.900 1.00 0.00 O ATOM 959 CB GLU A 73 2.965 -11.261 4.547 1.00 0.00 C ATOM 960 CG GLU A 73 4.139 -10.603 3.842 1.00 0.00 C ATOM 961 CD GLU A 73 5.479 -11.080 4.371 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.787 -10.795 5.547 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.217 -11.737 3.609 1.00 0.00 O ATOM 0 H GLU A 73 0.717 -12.594 4.612 1.00 0.00 H new ATOM 0 HA GLU A 73 1.451 -9.747 4.368 1.00 0.00 H new ATOM 0 HB2 GLU A 73 3.040 -11.068 5.617 1.00 0.00 H new ATOM 0 HB3 GLU A 73 3.030 -12.341 4.413 1.00 0.00 H new ATOM 0 HG2 GLU A 73 4.079 -10.811 2.774 1.00 0.00 H new ATOM 0 HG3 GLU A 73 4.070 -9.522 3.961 1.00 0.00 H new ATOM 970 N ALA A 74 0.815 -9.896 1.930 1.00 0.00 N ATOM 971 CA ALA A 74 0.693 -9.828 0.479 1.00 0.00 C ATOM 972 C ALA A 74 1.757 -8.915 -0.119 1.00 0.00 C ATOM 973 O ALA A 74 2.073 -7.864 0.438 1.00 0.00 O ATOM 974 CB ALA A 74 -0.698 -9.349 0.089 1.00 0.00 C ATOM 0 H ALA A 74 0.286 -9.183 2.432 1.00 0.00 H new ATOM 0 HA ALA A 74 0.846 -10.830 0.078 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.776 -9.303 -0.997 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.444 -10.043 0.477 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.872 -8.358 0.508 1.00 0.00 H new ATOM 980 N LYS A 75 2.307 -9.322 -1.258 1.00 0.00 N ATOM 981 CA LYS A 75 3.336 -8.541 -1.934 1.00 0.00 C ATOM 982 C LYS A 75 2.739 -7.289 -2.569 1.00 0.00 C ATOM 983 O LYS A 75 1.562 -7.265 -2.928 1.00 0.00 O ATOM 984 CB LYS A 75 4.028 -9.388 -3.004 1.00 0.00 C ATOM 985 CG LYS A 75 5.455 -8.955 -3.294 1.00 0.00 C ATOM 986 CD LYS A 75 6.263 -10.080 -3.918 1.00 0.00 C ATOM 987 CE LYS A 75 7.621 -9.592 -4.397 1.00 0.00 C ATOM 988 NZ LYS A 75 7.519 -8.834 -5.675 1.00 0.00 N ATOM 0 H LYS A 75 2.057 -10.189 -1.733 1.00 0.00 H new ATOM 0 HA LYS A 75 4.072 -8.235 -1.190 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.031 -10.430 -2.684 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.448 -9.339 -3.926 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.446 -8.096 -3.965 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.933 -8.632 -2.369 1.00 0.00 H new ATOM 0 HD2 LYS A 75 6.399 -10.879 -3.189 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.711 -10.504 -4.757 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.069 -8.957 -3.633 1.00 0.00 H new ATOM 0 HE3 LYS A 75 8.286 -10.445 -4.533 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 8.469 -8.548 -5.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 7.084 -9.437 -6.402 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.932 -7.987 -5.531 1.00 0.00 H new ATOM 1002 N ILE A 76 3.559 -6.252 -2.704 1.00 0.00 N ATOM 1003 CA ILE A 76 3.112 -4.998 -3.298 1.00 0.00 C ATOM 1004 C ILE A 76 4.151 -4.449 -4.269 1.00 0.00 C ATOM 1005 O ILE A 76 5.293 -4.190 -3.890 1.00 0.00 O ATOM 1006 CB ILE A 76 2.821 -3.937 -2.221 1.00 0.00 C ATOM 1007 CG1 ILE A 76 1.930 -4.524 -1.124 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.165 -2.714 -2.845 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.028 -3.786 0.193 1.00 0.00 C ATOM 0 H ILE A 76 4.536 -6.255 -2.410 1.00 0.00 H new ATOM 0 HA ILE A 76 2.191 -5.216 -3.839 1.00 0.00 H new ATOM 0 HB ILE A 76 3.765 -3.629 -1.771 1.00 0.00 H new ATOM 0 HG12 ILE A 76 0.894 -4.511 -1.463 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.201 -5.568 -0.967 1.00 0.00 H new ATOM 0 HG21 ILE A 76 1.966 -1.973 -2.071 1.00 0.00 H new ATOM 0 HG22 ILE A 76 2.831 -2.286 -3.594 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.227 -3.006 -3.318 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.370 -4.257 0.924 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.056 -3.821 0.554 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.729 -2.747 0.051 1.00 0.00 H new ATOM 1021 N GLU A 77 3.746 -4.271 -5.523 1.00 0.00 N ATOM 1022 CA GLU A 77 4.643 -3.751 -6.548 1.00 0.00 C ATOM 1023 C GLU A 77 4.245 -2.334 -6.951 1.00 0.00 C ATOM 1024 O GLU A 77 3.289 -2.136 -7.703 1.00 0.00 O ATOM 1025 CB GLU A 77 4.634 -4.664 -7.776 1.00 0.00 C ATOM 1026 CG GLU A 77 5.513 -4.166 -8.911 1.00 0.00 C ATOM 1027 CD GLU A 77 5.619 -5.164 -10.048 1.00 0.00 C ATOM 1028 OE1 GLU A 77 6.018 -6.318 -9.787 1.00 0.00 O ATOM 1029 OE2 GLU A 77 5.305 -4.791 -11.197 1.00 0.00 O ATOM 0 H GLU A 77 2.804 -4.479 -5.853 1.00 0.00 H new ATOM 0 HA GLU A 77 5.650 -3.723 -6.133 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.966 -5.659 -7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.610 -4.763 -8.137 1.00 0.00 H new ATOM 0 HG2 GLU A 77 5.110 -3.228 -9.293 1.00 0.00 H new ATOM 0 HG3 GLU A 77 6.510 -3.952 -8.526 1.00 0.00 H new ATOM 1036 N CYS A 78 4.984 -1.352 -6.447 1.00 0.00 N ATOM 1037 CA CYS A 78 4.708 0.047 -6.752 1.00 0.00 C ATOM 1038 C CYS A 78 5.553 0.524 -7.929 1.00 0.00 C ATOM 1039 O CYS A 78 6.783 0.512 -7.868 1.00 0.00 O ATOM 1040 CB CYS A 78 4.978 0.921 -5.527 1.00 0.00 C ATOM 1041 SG CYS A 78 6.686 0.856 -4.936 1.00 0.00 S ATOM 0 H CYS A 78 5.779 -1.499 -5.825 1.00 0.00 H new ATOM 0 HA CYS A 78 3.656 0.133 -7.025 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.727 1.954 -5.769 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.314 0.612 -4.720 1.00 0.00 H new ATOM 0 HG CYS A 78 7.487 0.676 -5.944 1.00 0.00 H new ATOM 1047 N SER A 79 4.886 0.941 -9.000 1.00 0.00 N ATOM 1048 CA SER A 79 5.576 1.417 -10.193 1.00 0.00 C ATOM 1049 C SER A 79 4.913 2.678 -10.738 1.00 0.00 C ATOM 1050 O SER A 79 3.689 2.752 -10.845 1.00 0.00 O ATOM 1051 CB SER A 79 5.589 0.328 -11.269 1.00 0.00 C ATOM 1052 OG SER A 79 6.088 0.830 -12.496 1.00 0.00 O ATOM 0 H SER A 79 3.868 0.959 -9.066 1.00 0.00 H new ATOM 0 HA SER A 79 6.603 1.658 -9.917 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.205 -0.508 -10.937 1.00 0.00 H new ATOM 0 HB3 SER A 79 4.580 -0.057 -11.414 1.00 0.00 H new ATOM 0 HG SER A 79 6.088 0.115 -13.166 1.00 0.00 H new ATOM 1058 N ASP A 80 5.730 3.667 -11.081 1.00 0.00 N ATOM 1059 CA ASP A 80 5.225 4.926 -11.616 1.00 0.00 C ATOM 1060 C ASP A 80 4.903 4.795 -13.101 1.00 0.00 C ATOM 1061 O ASP A 80 5.526 4.010 -13.814 1.00 0.00 O ATOM 1062 CB ASP A 80 6.246 6.044 -11.399 1.00 0.00 C ATOM 1063 CG ASP A 80 7.673 5.571 -11.596 1.00 0.00 C ATOM 1064 OD1 ASP A 80 8.084 5.398 -12.762 1.00 0.00 O ATOM 1065 OD2 ASP A 80 8.378 5.373 -10.585 1.00 0.00 O ATOM 0 H ASP A 80 6.746 3.621 -10.998 1.00 0.00 H new ATOM 0 HA ASP A 80 4.307 5.176 -11.084 1.00 0.00 H new ATOM 0 HB2 ASP A 80 6.038 6.861 -12.090 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.135 6.443 -10.391 1.00 0.00 H new ATOM 1070 N ASN A 81 3.925 5.570 -13.560 1.00 0.00 N ATOM 1071 CA ASN A 81 3.520 5.539 -14.961 1.00 0.00 C ATOM 1072 C ASN A 81 4.455 6.387 -15.817 1.00 0.00 C ATOM 1073 O ASN A 81 4.802 6.011 -16.936 1.00 0.00 O ATOM 1074 CB ASN A 81 2.081 6.040 -15.108 1.00 0.00 C ATOM 1075 CG ASN A 81 1.070 5.077 -14.517 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.087 4.939 -13.196 1.00 0.00 O flip ATOM 1077 ND2 ASN A 81 0.284 4.465 -15.240 1.00 0.00 N flip ATOM 0 H ASN A 81 3.399 6.226 -12.983 1.00 0.00 H new ATOM 0 HA ASN A 81 3.576 4.507 -15.307 1.00 0.00 H new ATOM 0 HB2 ASN A 81 1.985 7.009 -14.618 1.00 0.00 H new ATOM 0 HB3 ASN A 81 1.859 6.193 -16.164 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.307 4.603 -16.250 1.00 0.00 H new ATOM 0 HD22 ASN A 81 -0.391 3.820 -14.829 1.00 0.00 H new ATOM 1084 N GLY A 82 4.862 7.535 -15.282 1.00 0.00 N ATOM 1085 CA GLY A 82 5.754 8.418 -16.010 1.00 0.00 C ATOM 1086 C GLY A 82 5.074 9.703 -16.439 1.00 0.00 C ATOM 1087 O GLY A 82 5.740 10.685 -16.768 1.00 0.00 O ATOM 0 H GLY A 82 4.590 7.869 -14.357 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.614 8.657 -15.385 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.134 7.900 -16.891 1.00 0.00 H new ATOM 1091 N ASP A 83 3.746 9.696 -16.439 1.00 0.00 N ATOM 1092 CA ASP A 83 2.975 10.870 -16.832 1.00 0.00 C ATOM 1093 C ASP A 83 2.536 11.668 -15.608 1.00 0.00 C ATOM 1094 O ASP A 83 2.054 12.793 -15.727 1.00 0.00 O ATOM 1095 CB ASP A 83 1.752 10.453 -17.650 1.00 0.00 C ATOM 1096 CG ASP A 83 0.994 9.305 -17.014 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.569 9.448 -15.849 1.00 0.00 O ATOM 1098 OD2 ASP A 83 0.828 8.262 -17.681 1.00 0.00 O ATOM 0 H ASP A 83 3.181 8.890 -16.171 1.00 0.00 H new ATOM 0 HA ASP A 83 3.614 11.504 -17.446 1.00 0.00 H new ATOM 0 HB2 ASP A 83 1.085 11.308 -17.762 1.00 0.00 H new ATOM 0 HB3 ASP A 83 2.070 10.164 -18.652 1.00 0.00 H new ATOM 1103 N GLY A 84 2.706 11.074 -14.430 1.00 0.00 N ATOM 1104 CA GLY A 84 2.321 11.743 -13.201 1.00 0.00 C ATOM 1105 C GLY A 84 1.374 10.910 -12.359 1.00 0.00 C ATOM 1106 O GLY A 84 0.732 11.422 -11.442 1.00 0.00 O ATOM 0 H GLY A 84 3.103 10.143 -14.305 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.214 11.971 -12.620 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.847 12.694 -13.442 1.00 0.00 H new ATOM 1110 N THR A 85 1.285 9.621 -12.673 1.00 0.00 N ATOM 1111 CA THR A 85 0.407 8.716 -11.941 1.00 0.00 C ATOM 1112 C THR A 85 1.180 7.517 -11.403 1.00 0.00 C ATOM 1113 O THR A 85 2.396 7.423 -11.573 1.00 0.00 O ATOM 1114 CB THR A 85 -0.746 8.212 -12.829 1.00 0.00 C ATOM 1115 OG1 THR A 85 -0.228 7.697 -14.060 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.735 9.331 -13.117 1.00 0.00 C ATOM 0 H THR A 85 1.810 9.181 -13.429 1.00 0.00 H new ATOM 0 HA THR A 85 -0.007 9.282 -11.107 1.00 0.00 H new ATOM 0 HB THR A 85 -1.266 7.417 -12.295 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.177 8.419 -14.721 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.541 8.952 -13.746 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.150 9.700 -12.179 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.224 10.144 -13.633 1.00 0.00 H new ATOM 1124 N CYS A 86 0.467 6.604 -10.753 1.00 0.00 N ATOM 1125 CA CYS A 86 1.087 5.409 -10.189 1.00 0.00 C ATOM 1126 C CYS A 86 0.189 4.191 -10.376 1.00 0.00 C ATOM 1127 O CYS A 86 -1.036 4.293 -10.304 1.00 0.00 O ATOM 1128 CB CYS A 86 1.384 5.617 -8.703 1.00 0.00 C ATOM 1129 SG CYS A 86 2.713 6.798 -8.374 1.00 0.00 S ATOM 0 H CYS A 86 -0.540 6.668 -10.603 1.00 0.00 H new ATOM 0 HA CYS A 86 2.024 5.231 -10.717 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.476 5.960 -8.207 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.647 4.657 -8.258 1.00 0.00 H new ATOM 0 HG CYS A 86 3.056 7.385 -9.482 1.00 0.00 H new ATOM 1135 N SER A 87 0.806 3.039 -10.617 1.00 0.00 N ATOM 1136 CA SER A 87 0.062 1.801 -10.819 1.00 0.00 C ATOM 1137 C SER A 87 0.621 0.682 -9.945 1.00 0.00 C ATOM 1138 O SER A 87 1.465 -0.100 -10.381 1.00 0.00 O ATOM 1139 CB SER A 87 0.111 1.386 -12.291 1.00 0.00 C ATOM 1140 OG SER A 87 -0.337 0.053 -12.461 1.00 0.00 O ATOM 0 H SER A 87 1.819 2.937 -10.677 1.00 0.00 H new ATOM 0 HA SER A 87 -0.975 1.979 -10.533 1.00 0.00 H new ATOM 0 HB2 SER A 87 -0.509 2.059 -12.883 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.131 1.481 -12.665 1.00 0.00 H new ATOM 0 HG SER A 87 -0.297 -0.187 -13.410 1.00 0.00 H new ATOM 1146 N VAL A 88 0.142 0.613 -8.707 1.00 0.00 N ATOM 1147 CA VAL A 88 0.591 -0.410 -7.770 1.00 0.00 C ATOM 1148 C VAL A 88 -0.203 -1.700 -7.942 1.00 0.00 C ATOM 1149 O VAL A 88 -1.424 -1.674 -8.095 1.00 0.00 O ATOM 1150 CB VAL A 88 0.462 0.069 -6.312 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.024 -0.973 -5.356 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.162 1.407 -6.127 1.00 0.00 C ATOM 0 H VAL A 88 -0.557 1.253 -8.330 1.00 0.00 H new ATOM 0 HA VAL A 88 1.641 -0.602 -7.990 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.595 0.204 -6.084 1.00 0.00 H new ATOM 0 HG11 VAL A 88 0.924 -0.617 -4.331 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.474 -1.907 -5.471 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.077 -1.142 -5.581 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.061 1.730 -5.091 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.219 1.302 -6.373 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.709 2.149 -6.785 1.00 0.00 H new ATOM 1162 N SER A 89 0.499 -2.829 -7.915 1.00 0.00 N ATOM 1163 CA SER A 89 -0.140 -4.130 -8.071 1.00 0.00 C ATOM 1164 C SER A 89 0.229 -5.058 -6.918 1.00 0.00 C ATOM 1165 O SER A 89 1.405 -5.230 -6.596 1.00 0.00 O ATOM 1166 CB SER A 89 0.267 -4.765 -9.402 1.00 0.00 C ATOM 1167 OG SER A 89 1.675 -4.769 -9.556 1.00 0.00 O ATOM 0 H SER A 89 1.510 -2.868 -7.787 1.00 0.00 H new ATOM 0 HA SER A 89 -1.220 -3.981 -8.063 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.110 -5.786 -9.451 1.00 0.00 H new ATOM 0 HB3 SER A 89 -0.190 -4.216 -10.225 1.00 0.00 H new ATOM 0 HG SER A 89 1.909 -5.182 -10.414 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.785 -5.655 -6.300 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.569 -6.564 -5.181 1.00 0.00 C ATOM 1175 C TYR A 90 -1.168 -7.937 -5.471 1.00 0.00 C ATOM 1176 O TYR A 90 -2.155 -8.056 -6.199 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.181 -5.988 -3.903 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.692 -6.012 -3.891 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.428 -4.946 -4.395 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.385 -7.101 -3.376 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.809 -4.964 -4.385 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.766 -7.128 -3.364 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.474 -6.057 -3.869 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.850 -6.079 -3.858 1.00 0.00 O ATOM 0 H TYR A 90 -1.764 -5.525 -6.555 1.00 0.00 H new ATOM 0 HA TYR A 90 0.506 -6.679 -5.041 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.810 -6.552 -3.047 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.841 -4.960 -3.779 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.911 -4.089 -4.801 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.834 -7.941 -2.978 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.366 -4.127 -4.779 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.289 -7.983 -2.961 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.193 -5.184 -4.062 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.565 -8.972 -4.896 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.038 -10.338 -5.091 1.00 0.00 C ATOM 1196 C LEU A 91 -1.334 -11.007 -3.753 1.00 0.00 C ATOM 1197 O LEU A 91 -0.431 -11.422 -3.025 1.00 0.00 O ATOM 1198 CB LEU A 91 0.001 -11.153 -5.863 1.00 0.00 C ATOM 1199 CG LEU A 91 -0.146 -11.158 -7.385 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.205 -11.365 -8.051 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.129 -12.235 -7.822 1.00 0.00 C ATOM 0 H LEU A 91 0.252 -8.891 -4.291 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.961 -10.298 -5.669 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.991 -10.770 -5.615 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -0.040 -12.184 -5.511 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.537 -10.189 -7.697 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.081 -11.366 -9.134 1.00 0.00 H new ATOM 0 HD12 LEU A 91 1.880 -10.558 -7.764 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.625 -12.319 -7.733 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.221 -12.224 -8.908 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.767 -13.211 -7.498 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.103 -12.042 -7.373 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.628 -11.118 -3.420 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.074 -11.740 -2.169 1.00 0.00 C ATOM 1215 C PRO A 92 -2.840 -13.247 -2.155 1.00 0.00 C ATOM 1216 O PRO A 92 -2.444 -13.834 -3.163 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.573 -11.431 -2.134 1.00 0.00 C ATOM 1218 CG PRO A 92 -4.956 -11.251 -3.562 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.757 -10.646 -4.239 1.00 0.00 C ATOM 0 HA PRO A 92 -2.526 -11.360 -1.307 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.134 -12.244 -1.673 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.778 -10.532 -1.553 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.222 -12.205 -4.018 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.826 -10.600 -3.654 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.669 -10.978 -5.273 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.813 -9.558 -4.257 1.00 0.00 H new ATOM 1227 N THR A 93 -3.087 -13.869 -1.006 1.00 0.00 N ATOM 1228 CA THR A 93 -2.903 -15.307 -0.861 1.00 0.00 C ATOM 1229 C THR A 93 -4.198 -15.987 -0.433 1.00 0.00 C ATOM 1230 O THR A 93 -4.491 -17.108 -0.851 1.00 0.00 O ATOM 1231 CB THR A 93 -1.802 -15.631 0.167 1.00 0.00 C ATOM 1232 OG1 THR A 93 -1.457 -17.019 0.094 1.00 0.00 O ATOM 1233 CG2 THR A 93 -2.262 -15.291 1.577 1.00 0.00 C ATOM 0 H THR A 93 -3.415 -13.399 -0.162 1.00 0.00 H new ATOM 0 HA THR A 93 -2.602 -15.687 -1.837 1.00 0.00 H new ATOM 0 HB THR A 93 -0.926 -15.027 -0.068 1.00 0.00 H new ATOM 0 HG1 THR A 93 -0.756 -17.217 0.749 1.00 0.00 H new ATOM 0 HG21 THR A 93 -1.469 -15.528 2.286 1.00 0.00 H new ATOM 0 HG22 THR A 93 -2.496 -14.228 1.637 1.00 0.00 H new ATOM 0 HG23 THR A 93 -3.151 -15.873 1.820 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.972 -15.302 0.402 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.239 -15.839 0.885 1.00 0.00 C ATOM 1243 C LYS A 94 -7.326 -14.769 0.867 1.00 0.00 C ATOM 1244 O LYS A 94 -7.054 -13.573 0.977 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.075 -16.390 2.303 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.696 -15.334 3.327 1.00 0.00 C ATOM 1247 CD LYS A 94 -4.874 -15.925 4.460 1.00 0.00 C ATOM 1248 CE LYS A 94 -5.762 -16.543 5.529 1.00 0.00 C ATOM 1249 NZ LYS A 94 -6.161 -17.935 5.182 1.00 0.00 N ATOM 0 H LYS A 94 -4.744 -14.374 0.758 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.539 -16.648 0.219 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.008 -16.863 2.610 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.311 -17.167 2.295 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -5.129 -14.541 2.840 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -6.599 -14.877 3.731 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -4.198 -16.683 4.064 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -4.254 -15.147 4.906 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -5.235 -16.543 6.483 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -6.655 -15.931 5.658 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.447 -18.440 6.045 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -6.958 -17.911 4.515 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.357 -18.427 4.743 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.586 -15.206 0.727 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.739 -14.301 0.694 1.00 0.00 C ATOM 1265 C PRO A 95 -10.009 -13.656 2.049 1.00 0.00 C ATOM 1266 O PRO A 95 -9.954 -14.319 3.084 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.898 -15.218 0.297 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.478 -16.575 0.744 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.983 -16.617 0.591 1.00 0.00 C ATOM 0 HA PRO A 95 -9.583 -13.467 0.009 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.827 -14.913 0.778 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -11.073 -15.192 -0.779 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.769 -16.752 1.779 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.954 -17.349 0.142 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.518 -17.240 1.355 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.689 -17.026 -0.376 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.302 -12.359 2.035 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.577 -11.648 3.269 1.00 0.00 C ATOM 1279 C GLY A 96 -10.755 -10.158 3.052 1.00 0.00 C ATOM 1280 O GLY A 96 -11.656 -9.734 2.329 1.00 0.00 O ATOM 0 H GLY A 96 -10.354 -11.789 1.191 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.478 -12.056 3.727 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.760 -11.815 3.971 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.896 -9.363 3.682 1.00 0.00 N ATOM 1285 CA GLU A 97 -9.965 -7.912 3.555 1.00 0.00 C ATOM 1286 C GLU A 97 -8.571 -7.294 3.612 1.00 0.00 C ATOM 1287 O GLU A 97 -7.798 -7.562 4.531 1.00 0.00 O ATOM 1288 CB GLU A 97 -10.842 -7.322 4.662 1.00 0.00 C ATOM 1289 CG GLU A 97 -12.331 -7.512 4.425 1.00 0.00 C ATOM 1290 CD GLU A 97 -13.172 -7.048 5.598 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -13.381 -5.824 5.730 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -13.620 -7.909 6.384 1.00 0.00 O ATOM 0 H GLU A 97 -9.145 -9.699 4.285 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.408 -7.678 2.587 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -10.572 -7.783 5.612 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -10.630 -6.257 4.753 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -12.626 -6.962 3.531 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -12.533 -8.566 4.232 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.257 -6.465 2.622 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.956 -5.811 2.557 1.00 0.00 C ATOM 1301 C TYR A 98 -7.108 -4.293 2.576 1.00 0.00 C ATOM 1302 O TYR A 98 -7.601 -3.694 1.619 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.206 -6.244 1.296 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.909 -7.725 1.247 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -4.755 -8.242 1.824 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -6.782 -8.609 0.625 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -4.479 -9.595 1.781 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -6.515 -9.964 0.578 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.362 -10.451 1.157 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.091 -11.800 1.114 1.00 0.00 O ATOM 0 H TYR A 98 -8.886 -6.230 1.854 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.382 -6.112 3.434 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.796 -5.971 0.421 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.268 -5.692 1.233 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -4.062 -7.574 2.314 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -7.685 -8.230 0.170 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -3.577 -9.980 2.233 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -7.205 -10.637 0.091 1.00 0.00 H new ATOM 0 HH TYR A 98 -4.479 -12.034 1.843 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.679 -3.675 3.672 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.767 -2.227 3.817 1.00 0.00 C ATOM 1322 C PHE A 99 -5.491 -1.552 3.323 1.00 0.00 C ATOM 1323 O PHE A 99 -4.440 -1.646 3.958 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.022 -1.854 5.279 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.380 -2.262 5.774 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.649 -3.585 6.089 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.387 -1.323 5.926 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -9.898 -3.962 6.544 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.638 -1.695 6.381 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.894 -3.016 6.691 1.00 0.00 C ATOM 0 H PHE A 99 -6.267 -4.155 4.472 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.601 -1.876 3.209 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.261 -2.322 5.903 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.911 -0.776 5.395 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -7.874 -4.329 5.978 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -9.192 -0.288 5.686 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.096 -4.996 6.785 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.415 -0.953 6.494 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.870 -3.309 7.048 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.591 -0.872 2.185 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.445 -0.181 1.605 1.00 0.00 C ATOM 1342 C VAL A 100 -4.256 1.194 2.236 1.00 0.00 C ATOM 1343 O VAL A 100 -5.001 2.129 1.946 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.601 -0.018 0.082 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.362 0.632 -0.515 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -4.875 -1.363 -0.573 1.00 0.00 C ATOM 0 H VAL A 100 -6.453 -0.785 1.647 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.568 -0.795 1.809 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.453 0.634 -0.110 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.490 0.739 -1.592 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.215 1.615 -0.068 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.491 0.008 -0.314 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -4.982 -1.228 -1.649 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.045 -2.041 -0.373 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.794 -1.785 -0.167 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.253 1.310 3.101 1.00 0.00 N ATOM 1357 CA ASN A 101 -2.966 2.571 3.774 1.00 0.00 C ATOM 1358 C ASN A 101 -2.192 3.513 2.856 1.00 0.00 C ATOM 1359 O ASN A 101 -1.024 3.274 2.547 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.168 2.320 5.055 1.00 0.00 C ATOM 1361 CG ASN A 101 -2.952 1.519 6.076 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.518 2.076 7.016 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -2.988 0.204 5.896 1.00 0.00 N ATOM 0 H ASN A 101 -2.626 0.546 3.352 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.915 3.041 4.032 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.248 1.789 4.809 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.877 3.275 5.492 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.500 -0.387 6.551 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.504 -0.216 5.102 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.850 4.583 2.425 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.224 5.562 1.544 1.00 0.00 C ATOM 1372 C ILE A 102 -1.977 6.879 2.273 1.00 0.00 C ATOM 1373 O ILE A 102 -2.917 7.600 2.610 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.087 5.831 0.298 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.333 4.531 -0.470 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.417 6.863 -0.598 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.313 4.679 -1.612 1.00 0.00 C ATOM 0 H ILE A 102 -3.817 4.795 2.671 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.270 5.139 1.230 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.050 6.228 0.620 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.384 4.165 -0.862 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.705 3.775 0.222 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -3.039 7.042 -1.475 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.289 7.795 -0.047 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.442 6.492 -0.915 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.438 3.718 -2.111 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.275 5.015 -1.225 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -3.933 5.411 -2.325 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.708 7.188 2.511 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.336 8.420 3.198 1.00 0.00 C ATOM 1391 C LEU A 103 0.789 9.137 2.460 1.00 0.00 C ATOM 1392 O LEU A 103 1.813 8.536 2.133 1.00 0.00 O ATOM 1393 CB LEU A 103 0.093 8.117 4.635 1.00 0.00 C ATOM 1394 CG LEU A 103 0.728 6.746 4.870 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.226 6.800 4.611 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.448 6.264 6.286 1.00 0.00 C ATOM 0 H LEU A 103 0.082 6.603 2.239 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.208 9.074 3.216 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.802 8.883 4.951 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.781 8.206 5.280 1.00 0.00 H new ATOM 0 HG LEU A 103 0.284 6.037 4.171 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.661 5.815 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.406 7.101 3.579 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.686 7.523 5.285 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.907 5.287 6.435 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.864 6.974 7.001 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.629 6.186 6.437 1.00 0.00 H new ATOM 1408 N PHE A 104 0.593 10.426 2.201 1.00 0.00 N ATOM 1409 CA PHE A 104 1.593 11.226 1.503 1.00 0.00 C ATOM 1410 C PHE A 104 2.393 12.075 2.485 1.00 0.00 C ATOM 1411 O PHE A 104 1.860 12.997 3.102 1.00 0.00 O ATOM 1412 CB PHE A 104 0.921 12.125 0.463 1.00 0.00 C ATOM 1413 CG PHE A 104 1.849 12.580 -0.626 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.543 11.658 -1.393 1.00 0.00 C ATOM 1415 CD2 PHE A 104 2.029 13.930 -0.882 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.398 12.074 -2.396 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.883 14.351 -1.884 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.569 13.422 -2.641 1.00 0.00 C ATOM 0 H PHE A 104 -0.249 10.939 2.464 1.00 0.00 H new ATOM 0 HA PHE A 104 2.278 10.546 0.997 1.00 0.00 H new ATOM 0 HB2 PHE A 104 0.085 11.587 0.016 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.506 12.999 0.964 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.414 10.602 -1.205 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.496 14.661 -0.292 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.932 11.345 -2.988 1.00 0.00 H new ATOM 0 HE2 PHE A 104 3.014 15.406 -2.075 1.00 0.00 H new ATOM 0 HZ PHE A 104 4.238 13.749 -3.423 1.00 0.00 H new ATOM 1428 N GLU A 105 3.676 11.757 2.625 1.00 0.00 N ATOM 1429 CA GLU A 105 4.550 12.490 3.534 1.00 0.00 C ATOM 1430 C GLU A 105 4.021 12.430 4.964 1.00 0.00 C ATOM 1431 O GLU A 105 3.996 13.438 5.669 1.00 0.00 O ATOM 1432 CB GLU A 105 4.680 13.947 3.087 1.00 0.00 C ATOM 1433 CG GLU A 105 5.276 14.107 1.698 1.00 0.00 C ATOM 1434 CD GLU A 105 6.790 14.200 1.720 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.447 13.153 1.895 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.317 15.321 1.562 1.00 0.00 O ATOM 0 H GLU A 105 4.133 10.997 2.121 1.00 0.00 H new ATOM 0 HA GLU A 105 5.534 12.021 3.509 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.695 14.413 3.106 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.301 14.484 3.804 1.00 0.00 H new ATOM 0 HG2 GLU A 105 4.977 13.262 1.079 1.00 0.00 H new ATOM 0 HG3 GLU A 105 4.867 15.004 1.232 1.00 0.00 H new ATOM 1443 N GLU A 106 3.599 11.242 5.384 1.00 0.00 N ATOM 1444 CA GLU A 106 3.069 11.051 6.729 1.00 0.00 C ATOM 1445 C GLU A 106 1.691 11.693 6.866 1.00 0.00 C ATOM 1446 O GLU A 106 1.301 12.126 7.950 1.00 0.00 O ATOM 1447 CB GLU A 106 4.025 11.643 7.766 1.00 0.00 C ATOM 1448 CG GLU A 106 5.484 11.304 7.513 1.00 0.00 C ATOM 1449 CD GLU A 106 6.398 11.792 8.621 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.511 13.023 8.796 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.999 10.943 9.311 1.00 0.00 O ATOM 0 H GLU A 106 3.614 10.397 4.813 1.00 0.00 H new ATOM 0 HA GLU A 106 2.971 9.980 6.906 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.909 12.727 7.777 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.743 11.282 8.755 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.589 10.224 7.410 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.797 11.747 6.568 1.00 0.00 H new ATOM 1458 N VAL A 107 0.958 11.749 5.759 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.377 12.337 5.755 1.00 0.00 C ATOM 1460 C VAL A 107 -1.384 11.407 5.089 1.00 0.00 C ATOM 1461 O VAL A 107 -1.339 11.190 3.878 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.390 13.695 5.028 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.705 14.418 5.272 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.788 14.548 5.473 1.00 0.00 C ATOM 0 H VAL A 107 1.266 11.395 4.853 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.660 12.488 6.797 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.295 13.516 3.957 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.696 15.375 4.751 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.529 13.810 4.900 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.834 14.588 6.341 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.763 15.504 4.950 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.727 14.721 6.547 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.719 14.031 5.241 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.294 10.859 5.888 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.315 9.952 5.376 1.00 0.00 C ATOM 1476 C HIS A 108 -4.245 10.674 4.405 1.00 0.00 C ATOM 1477 O HIS A 108 -4.931 11.626 4.778 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.125 9.359 6.529 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.571 8.067 7.048 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.172 6.847 6.823 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.464 7.810 7.783 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.459 5.895 7.398 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.417 6.453 7.987 1.00 0.00 N ATOM 0 H HIS A 108 -2.345 11.027 6.893 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.814 9.145 4.841 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.164 10.082 7.344 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.150 9.198 6.197 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.751 8.537 8.142 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.689 4.840 7.388 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.695 5.957 8.509 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.262 10.214 3.158 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.107 10.816 2.134 1.00 0.00 C ATOM 1494 C ILE A 109 -6.585 10.623 2.458 1.00 0.00 C ATOM 1495 O ILE A 109 -6.981 9.658 3.113 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.816 10.222 0.744 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.217 8.746 0.701 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.344 10.386 0.395 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.554 8.251 -0.688 1.00 0.00 C ATOM 0 H ILE A 109 -3.701 9.427 2.833 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.876 11.881 2.120 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.407 10.762 0.004 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.402 8.145 1.104 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.078 8.593 1.351 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.154 9.961 -0.591 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.087 11.445 0.389 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.735 9.869 1.136 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -5.829 7.197 -0.642 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.389 8.827 -1.087 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.687 8.372 -1.338 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.421 11.561 1.989 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.868 11.515 2.214 1.00 0.00 C ATOM 1513 C PRO A 110 -9.540 10.388 1.437 1.00 0.00 C ATOM 1514 O PRO A 110 -10.066 10.600 0.345 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.350 12.876 1.704 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.325 13.291 0.706 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.017 12.738 1.201 1.00 0.00 C ATOM 0 HA PRO A 110 -9.112 11.325 3.259 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.338 12.801 1.249 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.427 13.599 2.516 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.564 12.901 -0.284 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.282 14.377 0.619 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.359 12.463 0.377 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.478 13.464 1.810 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.520 9.187 2.009 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.131 8.044 1.356 1.00 0.00 C ATOM 1527 C GLY A 111 -9.480 6.734 1.752 1.00 0.00 C ATOM 1528 O GLY A 111 -10.021 5.660 1.489 1.00 0.00 O ATOM 0 H GLY A 111 -9.092 8.986 2.913 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.191 8.010 1.607 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.063 8.168 0.275 1.00 0.00 H new ATOM 1532 N SER A 112 -8.314 6.822 2.385 1.00 0.00 N ATOM 1533 CA SER A 112 -7.585 5.633 2.812 1.00 0.00 C ATOM 1534 C SER A 112 -7.762 5.397 4.309 1.00 0.00 C ATOM 1535 O SER A 112 -8.029 6.318 5.082 1.00 0.00 O ATOM 1536 CB SER A 112 -6.099 5.773 2.479 1.00 0.00 C ATOM 1537 OG SER A 112 -5.383 6.336 3.565 1.00 0.00 O ATOM 0 H SER A 112 -7.854 7.703 2.613 1.00 0.00 H new ATOM 0 HA SER A 112 -7.991 4.775 2.275 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.684 4.795 2.234 1.00 0.00 H new ATOM 0 HB3 SER A 112 -5.979 6.400 1.596 1.00 0.00 H new ATOM 0 HG SER A 112 -4.561 6.754 3.233 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.610 4.132 4.730 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.293 3.028 3.819 1.00 0.00 C ATOM 1545 C PRO A 113 -8.457 2.685 2.897 1.00 0.00 C ATOM 1546 O PRO A 113 -9.560 3.210 3.050 1.00 0.00 O ATOM 1547 CB PRO A 113 -6.998 1.862 4.766 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.751 2.184 6.010 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.737 3.683 6.126 1.00 0.00 C ATOM 0 HA PRO A 113 -6.466 3.273 3.152 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.325 0.914 4.340 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -5.930 1.772 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.772 1.806 5.957 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.285 1.721 6.879 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.650 4.059 6.587 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.904 4.031 6.737 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.205 1.799 1.938 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.233 1.386 0.990 1.00 0.00 C ATOM 1559 C PHE A 114 -9.524 -0.107 1.119 1.00 0.00 C ATOM 1560 O PHE A 114 -8.807 -0.941 0.566 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.797 1.710 -0.440 1.00 0.00 C ATOM 1562 CG PHE A 114 -8.861 3.174 -0.769 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -7.885 4.044 -0.311 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -9.898 3.681 -1.536 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -7.940 5.392 -0.612 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -9.959 5.028 -1.840 1.00 0.00 C ATOM 1567 CZ PHE A 114 -8.979 5.884 -1.377 1.00 0.00 C ATOM 0 H PHE A 114 -7.298 1.354 1.797 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.145 1.937 1.218 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.777 1.357 -0.589 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.430 1.161 -1.137 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.071 3.664 0.289 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.667 3.016 -1.900 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.172 6.059 -0.250 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -10.772 5.411 -2.439 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.025 6.937 -1.613 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.580 -0.436 1.855 1.00 0.00 N ATOM 1578 CA LYS A 115 -10.968 -1.827 2.058 1.00 0.00 C ATOM 1579 C LYS A 115 -11.389 -2.472 0.742 1.00 0.00 C ATOM 1580 O LYS A 115 -12.356 -2.045 0.112 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.112 -1.916 3.071 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.452 -3.338 3.481 1.00 0.00 C ATOM 1583 CD LYS A 115 -13.481 -3.956 2.549 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.875 -3.409 2.817 1.00 0.00 C ATOM 1585 NZ LYS A 115 -15.847 -3.829 1.770 1.00 0.00 N ATOM 0 H LYS A 115 -11.183 0.242 2.321 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.104 -2.366 2.446 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -11.844 -1.345 3.960 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.000 -1.447 2.646 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -11.547 -3.945 3.478 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.835 -3.342 4.501 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -13.203 -3.756 1.514 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -13.483 -5.039 2.675 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.219 -3.755 3.792 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -14.836 -2.321 2.860 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -16.665 -4.287 2.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -16.167 -2.994 1.238 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -15.389 -4.499 1.120 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.657 -3.503 0.333 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.957 -4.209 -0.906 1.00 0.00 C ATOM 1601 C ALA A 116 -11.414 -5.637 -0.628 1.00 0.00 C ATOM 1602 O ALA A 116 -10.704 -6.413 0.012 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.741 -4.212 -1.820 1.00 0.00 C ATOM 0 H ALA A 116 -9.852 -3.868 0.842 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.772 -3.685 -1.405 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.980 -4.743 -2.742 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.460 -3.185 -2.055 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.911 -4.710 -1.319 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.604 -5.977 -1.111 1.00 0.00 N ATOM 1610 CA ASP A 117 -13.156 -7.313 -0.915 1.00 0.00 C ATOM 1611 C ASP A 117 -12.619 -8.282 -1.963 1.00 0.00 C ATOM 1612 O ASP A 117 -12.902 -8.144 -3.153 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.684 -7.270 -0.977 1.00 0.00 C ATOM 1614 CG ASP A 117 -15.306 -6.872 0.347 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.584 -6.309 1.197 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -16.515 -7.122 0.533 1.00 0.00 O ATOM 0 H ASP A 117 -13.205 -5.346 -1.641 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.850 -7.665 0.070 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.994 -6.564 -1.747 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -15.060 -8.249 -1.272 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.842 -9.262 -1.512 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.266 -10.254 -2.411 1.00 0.00 C ATOM 1623 C ILE A 118 -12.080 -11.544 -2.401 1.00 0.00 C ATOM 1624 O ILE A 118 -12.337 -12.118 -1.344 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.808 -10.577 -2.032 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.941 -9.322 -2.137 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.262 -11.682 -2.924 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.776 -8.817 -3.554 1.00 0.00 C ATOM 0 H ILE A 118 -11.597 -9.390 -0.530 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.286 -9.823 -3.412 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.785 -10.926 -1.000 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.383 -8.533 -1.528 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.957 -9.534 -1.719 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.231 -11.899 -2.644 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.868 -12.580 -2.803 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.295 -11.359 -3.965 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -8.150 -7.925 -3.552 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.306 -9.589 -4.163 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.754 -8.573 -3.969 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.481 -11.993 -3.586 1.00 0.00 N ATOM 1641 CA GLU A 119 -13.265 -13.216 -3.713 1.00 0.00 C ATOM 1642 C GLU A 119 -12.401 -14.366 -4.221 1.00 0.00 C ATOM 1643 O GLU A 119 -11.279 -14.157 -4.682 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.447 -12.994 -4.659 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.436 -11.953 -4.164 1.00 0.00 C ATOM 1646 CD GLU A 119 -16.059 -12.327 -2.833 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -15.373 -12.188 -1.799 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -17.231 -12.758 -2.826 1.00 0.00 O ATOM 0 H GLU A 119 -12.276 -11.529 -4.471 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.644 -13.479 -2.725 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -14.068 -12.688 -5.634 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.969 -13.940 -4.802 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.929 -10.993 -4.067 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -16.224 -11.824 -4.906 1.00 0.00 H new ATOM 1655 N MET A 120 -12.932 -15.581 -4.133 1.00 0.00 N ATOM 1656 CA MET A 120 -12.209 -16.765 -4.584 1.00 0.00 C ATOM 1657 C MET A 120 -12.444 -17.011 -6.072 1.00 0.00 C ATOM 1658 O MET A 120 -13.579 -17.059 -6.546 1.00 0.00 O ATOM 1659 CB MET A 120 -12.643 -17.991 -3.779 1.00 0.00 C ATOM 1660 CG MET A 120 -12.257 -17.920 -2.310 1.00 0.00 C ATOM 1661 SD MET A 120 -12.450 -19.501 -1.464 1.00 0.00 S ATOM 1662 CE MET A 120 -10.771 -20.121 -1.518 1.00 0.00 C ATOM 0 H MET A 120 -13.860 -15.772 -3.754 1.00 0.00 H new ATOM 0 HA MET A 120 -11.145 -16.593 -4.425 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.724 -18.103 -3.857 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.197 -18.882 -4.221 1.00 0.00 H new ATOM 0 HG2 MET A 120 -11.221 -17.591 -2.226 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.871 -17.169 -1.813 1.00 0.00 H new ATOM 0 HE1 MET A 120 -10.727 -21.096 -1.032 1.00 0.00 H new ATOM 0 HE2 MET A 120 -10.452 -20.218 -2.556 1.00 0.00 H new ATOM 0 HE3 MET A 120 -10.110 -19.427 -0.999 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.346 -17.169 -6.826 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.407 -17.412 -8.271 1.00 0.00 C ATOM 1674 C PRO A 121 -11.954 -18.796 -8.603 1.00 0.00 C ATOM 1675 O PRO A 121 -12.301 -19.568 -7.709 1.00 0.00 O ATOM 1676 CB PRO A 121 -9.946 -17.294 -8.712 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.155 -17.624 -7.494 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.961 -17.123 -6.328 1.00 0.00 C ATOM 0 HA PRO A 121 -12.076 -16.714 -8.774 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -9.722 -17.981 -9.528 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.721 -16.290 -9.070 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -8.985 -18.698 -7.418 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.175 -17.148 -7.524 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.829 -17.753 -5.448 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.670 -16.112 -6.043 1.00 0.00 H new