USER MOD reduce.3.24.130724 H: found=0, std=0, add=653, rem=0, adj=21 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= -0.161 K(o=-1.4,f=-2.1) USER MOD Set 1.2: A 108 HIS : no HD1:sc= -1.21 K(o=-1.4,f=-2.4!) USER MOD Set 2.1: A 72 CYS SG : rot -150:sc= -2.56 USER MOD Set 2.2: A 93 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 81 ASN : amide:sc= -2.15! K(o=-2.3!,f=-0.54) USER MOD Set 3.2: A 85 THR OG1 : rot 180:sc= -0.151 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 LYS NZ :NH3+ 156:sc= -0.0555 (180deg=-0.428) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 HIS : no HD1:sc= -1.05 K(o=-1,f=-0.2) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= -0.0112 (180deg=-0.138) USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 THR OG1 : rot -20:sc= 0.259 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0 (180deg=-0.189) USER MOD Single : A 61 THR OG1 : rot 180:sc= 0 USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.134 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 CYS SG : rot 25:sc= 0.334 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 86 CYS SG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 79:sc= 0.127 USER MOD Single : A 89 SER OG : rot 14:sc= 0.111 USER MOD Single : A 90 TYR OH : rot -22:sc= 0.161 USER MOD Single : A 94 LYS NZ :NH3+ -146:sc= -0.206 (180deg=-1.03) USER MOD Single : A 98 TYR OH : rot -7:sc= 1.19 USER MOD Single : A 112 SER OG : rot -158:sc= 0.574 USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 MET CE :methyl -149:sc= -0.397 (180deg=-2.16!) USER MOD ----------------------------------------------------------------- ATOM 362 N PRO A 29 3.540 19.206 -1.195 1.00 0.00 N ATOM 363 CA PRO A 29 2.796 17.943 -1.192 1.00 0.00 C ATOM 364 C PRO A 29 1.340 18.129 -0.778 1.00 0.00 C ATOM 365 O PRO A 29 1.051 18.504 0.359 1.00 0.00 O ATOM 366 CB PRO A 29 3.541 17.094 -0.159 1.00 0.00 C ATOM 367 CG PRO A 29 4.188 18.083 0.748 1.00 0.00 C ATOM 368 CD PRO A 29 4.535 19.268 -0.110 1.00 0.00 C ATOM 0 HA PRO A 29 2.754 17.493 -2.184 1.00 0.00 H new ATOM 0 HB2 PRO A 29 2.857 16.444 0.387 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.281 16.450 -0.635 1.00 0.00 H new ATOM 0 HG2 PRO A 29 3.515 18.370 1.556 1.00 0.00 H new ATOM 0 HG3 PRO A 29 5.080 17.662 1.211 1.00 0.00 H new ATOM 0 HD2 PRO A 29 4.464 20.202 0.447 1.00 0.00 H new ATOM 0 HD3 PRO A 29 5.553 19.202 -0.494 1.00 0.00 H new ATOM 376 N ASP A 30 0.428 17.865 -1.706 1.00 0.00 N ATOM 377 CA ASP A 30 -0.999 18.002 -1.437 1.00 0.00 C ATOM 378 C ASP A 30 -1.684 16.639 -1.432 1.00 0.00 C ATOM 379 O ASP A 30 -2.093 16.118 -2.470 1.00 0.00 O ATOM 380 CB ASP A 30 -1.652 18.911 -2.480 1.00 0.00 C ATOM 381 CG ASP A 30 -1.219 20.357 -2.339 1.00 0.00 C ATOM 382 OD1 ASP A 30 0.000 20.620 -2.407 1.00 0.00 O ATOM 383 OD2 ASP A 30 -2.099 21.225 -2.160 1.00 0.00 O ATOM 0 H ASP A 30 0.651 17.555 -2.652 1.00 0.00 H new ATOM 0 HA ASP A 30 -1.116 18.451 -0.451 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -1.398 18.554 -3.478 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -2.736 18.848 -2.385 1.00 0.00 H new ATOM 388 N PRO A 31 -1.813 16.045 -0.236 1.00 0.00 N ATOM 389 CA PRO A 31 -2.448 14.735 -0.067 1.00 0.00 C ATOM 390 C PRO A 31 -3.952 14.783 -0.314 1.00 0.00 C ATOM 391 O PRO A 31 -4.550 13.800 -0.750 1.00 0.00 O ATOM 392 CB PRO A 31 -2.157 14.386 1.395 1.00 0.00 C ATOM 393 CG PRO A 31 -1.972 15.702 2.069 1.00 0.00 C ATOM 394 CD PRO A 31 -1.349 16.608 1.043 1.00 0.00 C ATOM 0 HA PRO A 31 -2.067 14.003 -0.779 1.00 0.00 H new ATOM 0 HB2 PRO A 31 -2.980 13.826 1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 31 -1.265 13.767 1.484 1.00 0.00 H new ATOM 0 HG2 PRO A 31 -2.926 16.101 2.415 1.00 0.00 H new ATOM 0 HG3 PRO A 31 -1.331 15.605 2.945 1.00 0.00 H new ATOM 0 HD2 PRO A 31 -1.674 17.641 1.169 1.00 0.00 H new ATOM 0 HD3 PRO A 31 -0.261 16.605 1.112 1.00 0.00 H new ATOM 402 N SER A 32 -4.556 15.933 -0.033 1.00 0.00 N ATOM 403 CA SER A 32 -5.992 16.108 -0.222 1.00 0.00 C ATOM 404 C SER A 32 -6.363 15.995 -1.698 1.00 0.00 C ATOM 405 O SER A 32 -7.499 15.667 -2.041 1.00 0.00 O ATOM 406 CB SER A 32 -6.438 17.465 0.325 1.00 0.00 C ATOM 407 OG SER A 32 -6.487 17.453 1.741 1.00 0.00 O ATOM 0 H SER A 32 -4.074 16.757 0.326 1.00 0.00 H new ATOM 0 HA SER A 32 -6.505 15.317 0.326 1.00 0.00 H new ATOM 0 HB2 SER A 32 -5.750 18.240 -0.012 1.00 0.00 H new ATOM 0 HB3 SER A 32 -7.421 17.716 -0.074 1.00 0.00 H new ATOM 0 HG SER A 32 -6.773 18.332 2.066 1.00 0.00 H new ATOM 413 N LYS A 33 -5.396 16.269 -2.567 1.00 0.00 N ATOM 414 CA LYS A 33 -5.618 16.198 -4.007 1.00 0.00 C ATOM 415 C LYS A 33 -5.389 14.781 -4.523 1.00 0.00 C ATOM 416 O LYS A 33 -5.889 14.407 -5.584 1.00 0.00 O ATOM 417 CB LYS A 33 -4.692 17.174 -4.735 1.00 0.00 C ATOM 418 CG LYS A 33 -4.744 18.588 -4.184 1.00 0.00 C ATOM 419 CD LYS A 33 -5.792 19.426 -4.896 1.00 0.00 C ATOM 420 CE LYS A 33 -7.139 19.349 -4.193 1.00 0.00 C ATOM 421 NZ LYS A 33 -7.097 19.980 -2.845 1.00 0.00 N ATOM 0 H LYS A 33 -4.450 16.542 -2.299 1.00 0.00 H new ATOM 0 HA LYS A 33 -6.654 16.474 -4.204 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.668 16.806 -4.672 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -4.958 17.195 -5.792 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -4.966 18.556 -3.117 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -3.766 19.058 -4.292 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -5.462 20.464 -4.939 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.897 19.082 -5.925 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -7.896 19.844 -4.802 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -7.439 18.306 -4.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -8.055 20.276 -2.570 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.734 19.295 -2.152 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.472 20.811 -2.870 1.00 0.00 H new ATOM 435 N VAL A 34 -4.631 13.995 -3.765 1.00 0.00 N ATOM 436 CA VAL A 34 -4.338 12.618 -4.145 1.00 0.00 C ATOM 437 C VAL A 34 -5.594 11.756 -4.100 1.00 0.00 C ATOM 438 O VAL A 34 -6.138 11.487 -3.028 1.00 0.00 O ATOM 439 CB VAL A 34 -3.269 11.998 -3.226 1.00 0.00 C ATOM 440 CG1 VAL A 34 -3.046 10.535 -3.577 1.00 0.00 C ATOM 441 CG2 VAL A 34 -1.968 12.781 -3.317 1.00 0.00 C ATOM 0 H VAL A 34 -4.209 14.288 -2.884 1.00 0.00 H new ATOM 0 HA VAL A 34 -3.957 12.646 -5.166 1.00 0.00 H new ATOM 0 HB VAL A 34 -3.626 12.050 -2.197 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.287 10.114 -2.917 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -3.979 9.985 -3.454 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -2.711 10.456 -4.611 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.224 12.329 -2.661 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -1.604 12.764 -4.344 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -2.142 13.813 -3.011 1.00 0.00 H new ATOM 451 N LYS A 35 -6.052 11.325 -5.270 1.00 0.00 N ATOM 452 CA LYS A 35 -7.244 10.491 -5.366 1.00 0.00 C ATOM 453 C LYS A 35 -6.872 9.043 -5.669 1.00 0.00 C ATOM 454 O LYS A 35 -5.881 8.776 -6.348 1.00 0.00 O ATOM 455 CB LYS A 35 -8.180 11.026 -6.451 1.00 0.00 C ATOM 456 CG LYS A 35 -8.992 12.233 -6.013 1.00 0.00 C ATOM 457 CD LYS A 35 -10.090 12.559 -7.012 1.00 0.00 C ATOM 458 CE LYS A 35 -11.303 11.662 -6.820 1.00 0.00 C ATOM 459 NZ LYS A 35 -12.283 11.810 -7.932 1.00 0.00 N ATOM 0 H LYS A 35 -5.615 11.540 -6.166 1.00 0.00 H new ATOM 0 HA LYS A 35 -7.757 10.522 -4.405 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -7.590 11.294 -7.328 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.861 10.231 -6.756 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -9.434 12.040 -5.035 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.334 13.094 -5.901 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.386 13.602 -6.901 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -9.707 12.443 -8.026 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -10.980 10.623 -6.756 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.788 11.904 -5.874 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -13.095 11.183 -7.765 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.611 12.796 -7.977 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -11.828 11.555 -8.832 1.00 0.00 H new ATOM 473 N ALA A 36 -7.675 8.112 -5.164 1.00 0.00 N ATOM 474 CA ALA A 36 -7.432 6.692 -5.384 1.00 0.00 C ATOM 475 C ALA A 36 -8.673 6.002 -5.940 1.00 0.00 C ATOM 476 O ALA A 36 -9.637 5.756 -5.213 1.00 0.00 O ATOM 477 CB ALA A 36 -6.989 6.025 -4.090 1.00 0.00 C ATOM 0 H ALA A 36 -8.500 8.316 -4.600 1.00 0.00 H new ATOM 0 HA ALA A 36 -6.634 6.595 -6.121 1.00 0.00 H new ATOM 0 HB1 ALA A 36 -6.811 4.965 -4.270 1.00 0.00 H new ATOM 0 HB2 ALA A 36 -6.070 6.492 -3.736 1.00 0.00 H new ATOM 0 HB3 ALA A 36 -7.768 6.140 -3.336 1.00 0.00 H new ATOM 483 N HIS A 37 -8.644 5.692 -7.232 1.00 0.00 N ATOM 484 CA HIS A 37 -9.768 5.030 -7.885 1.00 0.00 C ATOM 485 C HIS A 37 -9.287 3.869 -8.750 1.00 0.00 C ATOM 486 O HIS A 37 -8.304 3.991 -9.479 1.00 0.00 O ATOM 487 CB HIS A 37 -10.549 6.029 -8.739 1.00 0.00 C ATOM 488 CG HIS A 37 -9.675 6.949 -9.534 1.00 0.00 C ATOM 489 ND1 HIS A 37 -9.651 6.960 -10.913 1.00 0.00 N ATOM 490 CD2 HIS A 37 -8.791 7.895 -9.137 1.00 0.00 C ATOM 491 CE1 HIS A 37 -8.789 7.871 -11.329 1.00 0.00 C ATOM 492 NE2 HIS A 37 -8.254 8.453 -10.271 1.00 0.00 N ATOM 0 H HIS A 37 -7.855 5.888 -7.848 1.00 0.00 H new ATOM 0 HA HIS A 37 -10.425 4.634 -7.110 1.00 0.00 H new ATOM 0 HB2 HIS A 37 -11.200 5.481 -9.420 1.00 0.00 H new ATOM 0 HB3 HIS A 37 -11.193 6.623 -8.091 1.00 0.00 H new ATOM 0 HD2 HIS A 37 -8.553 8.161 -8.118 1.00 0.00 H new ATOM 0 HE1 HIS A 37 -8.561 8.101 -12.359 1.00 0.00 H new ATOM 0 HE2 HIS A 37 -7.556 9.196 -10.293 1.00 0.00 H new ATOM 501 N GLY A 38 -9.988 2.743 -8.663 1.00 0.00 N ATOM 502 CA GLY A 38 -9.616 1.576 -9.443 1.00 0.00 C ATOM 503 C GLY A 38 -10.157 0.289 -8.853 1.00 0.00 C ATOM 504 O GLY A 38 -10.777 0.280 -7.790 1.00 0.00 O ATOM 0 H GLY A 38 -10.806 2.617 -8.067 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -9.988 1.690 -10.461 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -8.529 1.515 -9.505 1.00 0.00 H new ATOM 508 N PRO A 39 -9.922 -0.831 -9.552 1.00 0.00 N ATOM 509 CA PRO A 39 -10.383 -2.151 -9.111 1.00 0.00 C ATOM 510 C PRO A 39 -9.631 -2.646 -7.880 1.00 0.00 C ATOM 511 O PRO A 39 -10.229 -3.186 -6.950 1.00 0.00 O ATOM 512 CB PRO A 39 -10.088 -3.050 -10.314 1.00 0.00 C ATOM 513 CG PRO A 39 -8.974 -2.370 -11.032 1.00 0.00 C ATOM 514 CD PRO A 39 -9.189 -0.896 -10.828 1.00 0.00 C ATOM 0 HA PRO A 39 -11.433 -2.139 -8.818 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -9.801 -4.053 -9.998 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.965 -3.156 -10.953 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -8.007 -2.682 -10.637 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.981 -2.622 -12.092 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -8.244 -0.355 -10.776 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -9.763 -0.457 -11.644 1.00 0.00 H new ATOM 522 N GLY A 40 -8.315 -2.457 -7.880 1.00 0.00 N ATOM 523 CA GLY A 40 -7.503 -2.890 -6.758 1.00 0.00 C ATOM 524 C GLY A 40 -8.048 -2.407 -5.428 1.00 0.00 C ATOM 525 O GLY A 40 -7.786 -3.009 -4.386 1.00 0.00 O ATOM 0 H GLY A 40 -7.797 -2.012 -8.637 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -7.449 -3.979 -6.751 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.485 -2.521 -6.886 1.00 0.00 H new ATOM 529 N LEU A 41 -8.806 -1.317 -5.462 1.00 0.00 N ATOM 530 CA LEU A 41 -9.388 -0.751 -4.250 1.00 0.00 C ATOM 531 C LEU A 41 -10.642 -1.516 -3.841 1.00 0.00 C ATOM 532 O LEU A 41 -10.793 -1.905 -2.683 1.00 0.00 O ATOM 533 CB LEU A 41 -9.724 0.726 -4.463 1.00 0.00 C ATOM 534 CG LEU A 41 -8.584 1.606 -4.976 1.00 0.00 C ATOM 535 CD1 LEU A 41 -9.090 3.006 -5.290 1.00 0.00 C ATOM 536 CD2 LEU A 41 -7.454 1.662 -3.958 1.00 0.00 C ATOM 0 H LEU A 41 -9.032 -0.807 -6.316 1.00 0.00 H new ATOM 0 HA LEU A 41 -8.654 -0.838 -3.449 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -10.552 0.791 -5.168 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -10.077 1.138 -3.517 1.00 0.00 H new ATOM 0 HG LEU A 41 -8.197 1.167 -5.895 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -8.265 3.618 -5.654 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -9.865 2.950 -6.055 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -9.504 3.454 -4.387 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -6.651 2.293 -4.340 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -7.828 2.077 -3.022 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -7.073 0.656 -3.782 1.00 0.00 H new ATOM 548 N GLU A 42 -11.538 -1.730 -4.799 1.00 0.00 N ATOM 549 CA GLU A 42 -12.779 -2.450 -4.538 1.00 0.00 C ATOM 550 C GLU A 42 -12.496 -3.901 -4.158 1.00 0.00 C ATOM 551 O GLU A 42 -13.167 -4.471 -3.299 1.00 0.00 O ATOM 552 CB GLU A 42 -13.692 -2.400 -5.765 1.00 0.00 C ATOM 553 CG GLU A 42 -14.122 -0.994 -6.147 1.00 0.00 C ATOM 554 CD GLU A 42 -15.096 -0.392 -5.153 1.00 0.00 C ATOM 555 OE1 GLU A 42 -14.640 0.109 -4.103 1.00 0.00 O ATOM 556 OE2 GLU A 42 -16.315 -0.420 -5.425 1.00 0.00 O ATOM 0 H GLU A 42 -11.428 -1.415 -5.763 1.00 0.00 H new ATOM 0 HA GLU A 42 -13.282 -1.965 -3.701 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -13.176 -2.855 -6.610 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -14.580 -3.002 -5.572 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -13.241 -0.356 -6.219 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -14.583 -1.015 -7.135 1.00 0.00 H new ATOM 563 N GLY A 43 -11.498 -4.492 -4.808 1.00 0.00 N ATOM 564 CA GLY A 43 -11.144 -5.871 -4.526 1.00 0.00 C ATOM 565 C GLY A 43 -10.531 -6.569 -5.724 1.00 0.00 C ATOM 566 O GLY A 43 -10.214 -5.931 -6.727 1.00 0.00 O ATOM 0 H GLY A 43 -10.929 -4.041 -5.524 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -10.441 -5.899 -3.694 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -12.035 -6.414 -4.209 1.00 0.00 H new ATOM 570 N GLY A 44 -10.362 -7.884 -5.620 1.00 0.00 N ATOM 571 CA GLY A 44 -9.782 -8.646 -6.709 1.00 0.00 C ATOM 572 C GLY A 44 -10.032 -10.135 -6.573 1.00 0.00 C ATOM 573 O GLY A 44 -11.114 -10.555 -6.161 1.00 0.00 O ATOM 0 H GLY A 44 -10.617 -8.435 -4.800 1.00 0.00 H new ATOM 0 HA2 GLY A 44 -10.197 -8.296 -7.654 1.00 0.00 H new ATOM 0 HA3 GLY A 44 -8.708 -8.463 -6.745 1.00 0.00 H new ATOM 577 N LEU A 45 -9.031 -10.936 -6.922 1.00 0.00 N ATOM 578 CA LEU A 45 -9.148 -12.387 -6.838 1.00 0.00 C ATOM 579 C LEU A 45 -7.872 -13.005 -6.274 1.00 0.00 C ATOM 580 O LEU A 45 -6.767 -12.551 -6.571 1.00 0.00 O ATOM 581 CB LEU A 45 -9.445 -12.975 -8.218 1.00 0.00 C ATOM 582 CG LEU A 45 -10.790 -12.589 -8.837 1.00 0.00 C ATOM 583 CD1 LEU A 45 -10.796 -12.887 -10.328 1.00 0.00 C ATOM 584 CD2 LEU A 45 -11.927 -13.320 -8.140 1.00 0.00 C ATOM 0 H LEU A 45 -8.130 -10.605 -7.266 1.00 0.00 H new ATOM 0 HA LEU A 45 -9.972 -12.622 -6.164 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.652 -12.668 -8.900 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.400 -14.062 -8.145 1.00 0.00 H new ATOM 0 HG LEU A 45 -10.937 -11.518 -8.701 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -11.760 -12.606 -10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -10.006 -12.317 -10.816 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -10.626 -13.952 -10.487 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -12.876 -13.033 -8.593 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -11.786 -14.396 -8.244 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -11.935 -13.056 -7.083 1.00 0.00 H new ATOM 596 N VAL A 46 -8.033 -14.043 -5.460 1.00 0.00 N ATOM 597 CA VAL A 46 -6.895 -14.726 -4.857 1.00 0.00 C ATOM 598 C VAL A 46 -5.984 -15.323 -5.924 1.00 0.00 C ATOM 599 O VAL A 46 -6.452 -15.925 -6.889 1.00 0.00 O ATOM 600 CB VAL A 46 -7.352 -15.845 -3.904 1.00 0.00 C ATOM 601 CG1 VAL A 46 -6.151 -16.540 -3.281 1.00 0.00 C ATOM 602 CG2 VAL A 46 -8.272 -15.286 -2.828 1.00 0.00 C ATOM 0 H VAL A 46 -8.941 -14.430 -5.203 1.00 0.00 H new ATOM 0 HA VAL A 46 -6.343 -13.978 -4.288 1.00 0.00 H new ATOM 0 HB VAL A 46 -7.910 -16.583 -4.480 1.00 0.00 H new ATOM 0 HG11 VAL A 46 -6.494 -17.328 -2.610 1.00 0.00 H new ATOM 0 HG12 VAL A 46 -5.534 -16.976 -4.067 1.00 0.00 H new ATOM 0 HG13 VAL A 46 -5.563 -15.815 -2.718 1.00 0.00 H new ATOM 0 HG21 VAL A 46 -8.585 -16.091 -2.163 1.00 0.00 H new ATOM 0 HG22 VAL A 46 -7.741 -14.527 -2.254 1.00 0.00 H new ATOM 0 HG23 VAL A 46 -9.149 -14.839 -3.296 1.00 0.00 H new ATOM 612 N GLY A 47 -4.677 -15.151 -5.743 1.00 0.00 N ATOM 613 CA GLY A 47 -3.720 -15.678 -6.698 1.00 0.00 C ATOM 614 C GLY A 47 -3.576 -14.796 -7.922 1.00 0.00 C ATOM 615 O GLY A 47 -2.652 -14.970 -8.717 1.00 0.00 O ATOM 0 H GLY A 47 -4.265 -14.656 -4.952 1.00 0.00 H new ATOM 0 HA2 GLY A 47 -2.749 -15.784 -6.214 1.00 0.00 H new ATOM 0 HA3 GLY A 47 -4.032 -16.675 -7.008 1.00 0.00 H new ATOM 619 N LYS A 48 -4.491 -13.845 -8.075 1.00 0.00 N ATOM 620 CA LYS A 48 -4.463 -12.931 -9.211 1.00 0.00 C ATOM 621 C LYS A 48 -4.022 -11.537 -8.777 1.00 0.00 C ATOM 622 O LYS A 48 -4.328 -11.078 -7.676 1.00 0.00 O ATOM 623 CB LYS A 48 -5.843 -12.859 -9.869 1.00 0.00 C ATOM 624 CG LYS A 48 -6.049 -13.892 -10.963 1.00 0.00 C ATOM 625 CD LYS A 48 -7.041 -13.407 -12.007 1.00 0.00 C ATOM 626 CE LYS A 48 -7.242 -14.439 -13.107 1.00 0.00 C ATOM 627 NZ LYS A 48 -7.879 -15.682 -12.591 1.00 0.00 N ATOM 0 H LYS A 48 -5.262 -13.687 -7.426 1.00 0.00 H new ATOM 0 HA LYS A 48 -3.742 -13.313 -9.934 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.608 -12.994 -9.105 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -5.984 -11.863 -10.290 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -5.095 -14.112 -11.441 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.408 -14.823 -10.523 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -7.997 -13.192 -11.530 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -6.685 -12.474 -12.443 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -7.863 -14.013 -13.896 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -6.279 -14.684 -13.556 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -8.168 -16.281 -13.390 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -7.199 -16.200 -11.998 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -8.715 -15.434 -12.024 1.00 0.00 H new ATOM 641 N PRO A 49 -3.286 -10.846 -9.660 1.00 0.00 N ATOM 642 CA PRO A 49 -2.789 -9.494 -9.391 1.00 0.00 C ATOM 643 C PRO A 49 -3.909 -8.459 -9.366 1.00 0.00 C ATOM 644 O PRO A 49 -4.965 -8.659 -9.965 1.00 0.00 O ATOM 645 CB PRO A 49 -1.839 -9.225 -10.561 1.00 0.00 C ATOM 646 CG PRO A 49 -2.333 -10.102 -11.659 1.00 0.00 C ATOM 647 CD PRO A 49 -2.883 -11.332 -10.991 1.00 0.00 C ATOM 0 HA PRO A 49 -2.313 -9.422 -8.413 1.00 0.00 H new ATOM 0 HB2 PRO A 49 -1.859 -8.175 -10.854 1.00 0.00 H new ATOM 0 HB3 PRO A 49 -0.809 -9.463 -10.297 1.00 0.00 H new ATOM 0 HG2 PRO A 49 -3.103 -9.599 -12.244 1.00 0.00 H new ATOM 0 HG3 PRO A 49 -1.527 -10.359 -12.346 1.00 0.00 H new ATOM 0 HD2 PRO A 49 -3.729 -11.744 -11.541 1.00 0.00 H new ATOM 0 HD3 PRO A 49 -2.134 -12.120 -10.921 1.00 0.00 H new ATOM 655 N ALA A 50 -3.671 -7.353 -8.669 1.00 0.00 N ATOM 656 CA ALA A 50 -4.659 -6.286 -8.568 1.00 0.00 C ATOM 657 C ALA A 50 -3.988 -4.937 -8.334 1.00 0.00 C ATOM 658 O ALA A 50 -3.160 -4.793 -7.435 1.00 0.00 O ATOM 659 CB ALA A 50 -5.648 -6.586 -7.452 1.00 0.00 C ATOM 0 H ALA A 50 -2.802 -7.172 -8.166 1.00 0.00 H new ATOM 0 HA ALA A 50 -5.199 -6.235 -9.513 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.380 -5.781 -7.388 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -6.159 -7.525 -7.662 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.114 -6.667 -6.505 1.00 0.00 H new ATOM 665 N GLU A 51 -4.350 -3.951 -9.149 1.00 0.00 N ATOM 666 CA GLU A 51 -3.781 -2.614 -9.030 1.00 0.00 C ATOM 667 C GLU A 51 -4.860 -1.547 -9.190 1.00 0.00 C ATOM 668 O GLU A 51 -6.022 -1.858 -9.454 1.00 0.00 O ATOM 669 CB GLU A 51 -2.684 -2.407 -10.077 1.00 0.00 C ATOM 670 CG GLU A 51 -3.093 -2.830 -11.478 1.00 0.00 C ATOM 671 CD GLU A 51 -3.744 -1.705 -12.260 1.00 0.00 C ATOM 672 OE1 GLU A 51 -3.006 -0.852 -12.797 1.00 0.00 O ATOM 673 OE2 GLU A 51 -4.990 -1.677 -12.335 1.00 0.00 O ATOM 0 H GLU A 51 -5.034 -4.053 -9.898 1.00 0.00 H new ATOM 0 HA GLU A 51 -3.346 -2.520 -8.035 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -2.402 -1.354 -10.092 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -1.799 -2.970 -9.780 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -2.214 -3.182 -12.018 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -3.785 -3.670 -11.413 1.00 0.00 H new ATOM 680 N PHE A 52 -4.467 -0.288 -9.029 1.00 0.00 N ATOM 681 CA PHE A 52 -5.400 0.826 -9.153 1.00 0.00 C ATOM 682 C PHE A 52 -4.702 2.060 -9.718 1.00 0.00 C ATOM 683 O PHE A 52 -3.494 2.049 -9.958 1.00 0.00 O ATOM 684 CB PHE A 52 -6.020 1.155 -7.794 1.00 0.00 C ATOM 685 CG PHE A 52 -5.043 1.079 -6.655 1.00 0.00 C ATOM 686 CD1 PHE A 52 -4.545 -0.142 -6.233 1.00 0.00 C ATOM 687 CD2 PHE A 52 -4.624 2.230 -6.008 1.00 0.00 C ATOM 688 CE1 PHE A 52 -3.646 -0.215 -5.185 1.00 0.00 C ATOM 689 CE2 PHE A 52 -3.724 2.163 -4.961 1.00 0.00 C ATOM 690 CZ PHE A 52 -3.236 0.939 -4.548 1.00 0.00 C ATOM 0 H PHE A 52 -3.509 -0.013 -8.812 1.00 0.00 H new ATOM 0 HA PHE A 52 -6.190 0.529 -9.842 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -6.445 2.158 -7.831 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -6.843 0.466 -7.603 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -4.862 -1.048 -6.728 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -5.005 3.190 -6.325 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -3.265 -1.174 -4.865 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -3.403 3.068 -4.466 1.00 0.00 H new ATOM 0 HZ PHE A 52 -2.535 0.885 -3.728 1.00 0.00 H new ATOM 700 N THR A 53 -5.471 3.124 -9.929 1.00 0.00 N ATOM 701 CA THR A 53 -4.928 4.365 -10.466 1.00 0.00 C ATOM 702 C THR A 53 -4.950 5.473 -9.420 1.00 0.00 C ATOM 703 O THR A 53 -5.989 5.756 -8.823 1.00 0.00 O ATOM 704 CB THR A 53 -5.713 4.830 -11.707 1.00 0.00 C ATOM 705 OG1 THR A 53 -5.911 3.731 -12.603 1.00 0.00 O ATOM 706 CG2 THR A 53 -4.976 5.950 -12.425 1.00 0.00 C ATOM 0 H THR A 53 -6.472 3.151 -9.736 1.00 0.00 H new ATOM 0 HA THR A 53 -3.896 4.161 -10.753 1.00 0.00 H new ATOM 0 HB THR A 53 -6.681 5.207 -11.377 1.00 0.00 H new ATOM 0 HG1 THR A 53 -6.412 4.035 -13.388 1.00 0.00 H new ATOM 0 HG21 THR A 53 -5.549 6.262 -13.298 1.00 0.00 H new ATOM 0 HG22 THR A 53 -4.854 6.797 -11.750 1.00 0.00 H new ATOM 0 HG23 THR A 53 -3.996 5.595 -12.743 1.00 0.00 H new ATOM 714 N ILE A 54 -3.797 6.098 -9.202 1.00 0.00 N ATOM 715 CA ILE A 54 -3.686 7.177 -8.229 1.00 0.00 C ATOM 716 C ILE A 54 -3.327 8.494 -8.907 1.00 0.00 C ATOM 717 O ILE A 54 -2.385 8.561 -9.698 1.00 0.00 O ATOM 718 CB ILE A 54 -2.628 6.860 -7.156 1.00 0.00 C ATOM 719 CG1 ILE A 54 -3.011 5.592 -6.389 1.00 0.00 C ATOM 720 CG2 ILE A 54 -2.471 8.035 -6.203 1.00 0.00 C ATOM 721 CD1 ILE A 54 -1.921 5.090 -5.468 1.00 0.00 C ATOM 0 H ILE A 54 -2.927 5.875 -9.686 1.00 0.00 H new ATOM 0 HA ILE A 54 -4.661 7.272 -7.750 1.00 0.00 H new ATOM 0 HB ILE A 54 -1.672 6.688 -7.650 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -3.909 5.789 -5.803 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -3.262 4.807 -7.103 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -1.720 7.795 -5.451 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -2.157 8.917 -6.761 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -3.424 8.236 -5.713 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -2.262 4.189 -4.958 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -1.029 4.861 -6.051 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -1.685 5.858 -4.731 1.00 0.00 H new ATOM 733 N ASP A 55 -4.081 9.541 -8.591 1.00 0.00 N ATOM 734 CA ASP A 55 -3.841 10.859 -9.168 1.00 0.00 C ATOM 735 C ASP A 55 -2.911 11.679 -8.280 1.00 0.00 C ATOM 736 O ASP A 55 -3.294 12.113 -7.193 1.00 0.00 O ATOM 737 CB ASP A 55 -5.164 11.601 -9.366 1.00 0.00 C ATOM 738 CG ASP A 55 -5.004 13.105 -9.265 1.00 0.00 C ATOM 739 OD1 ASP A 55 -3.937 13.616 -9.664 1.00 0.00 O ATOM 740 OD2 ASP A 55 -5.946 13.772 -8.786 1.00 0.00 O ATOM 0 H ASP A 55 -4.864 9.503 -7.938 1.00 0.00 H new ATOM 0 HA ASP A 55 -3.362 10.723 -10.137 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -5.577 11.347 -10.342 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -5.882 11.264 -8.618 1.00 0.00 H new ATOM 745 N THR A 56 -1.685 11.888 -8.749 1.00 0.00 N ATOM 746 CA THR A 56 -0.699 12.654 -7.998 1.00 0.00 C ATOM 747 C THR A 56 -0.039 13.711 -8.875 1.00 0.00 C ATOM 748 O THR A 56 1.090 14.130 -8.618 1.00 0.00 O ATOM 749 CB THR A 56 0.391 11.740 -7.407 1.00 0.00 C ATOM 750 OG1 THR A 56 1.215 11.218 -8.456 1.00 0.00 O ATOM 751 CG2 THR A 56 -0.230 10.592 -6.625 1.00 0.00 C ATOM 0 H THR A 56 -1.351 11.537 -9.647 1.00 0.00 H new ATOM 0 HA THR A 56 -1.233 13.144 -7.184 1.00 0.00 H new ATOM 0 HB THR A 56 1.002 12.334 -6.727 1.00 0.00 H new ATOM 0 HG1 THR A 56 0.736 11.279 -9.309 1.00 0.00 H new ATOM 0 HG21 THR A 56 0.559 9.960 -6.217 1.00 0.00 H new ATOM 0 HG22 THR A 56 -0.833 10.991 -5.809 1.00 0.00 H new ATOM 0 HG23 THR A 56 -0.862 10.001 -7.287 1.00 0.00 H new ATOM 759 N LYS A 57 -0.749 14.140 -9.913 1.00 0.00 N ATOM 760 CA LYS A 57 -0.234 15.151 -10.828 1.00 0.00 C ATOM 761 C LYS A 57 -0.395 16.550 -10.241 1.00 0.00 C ATOM 762 O LYS A 57 0.534 17.356 -10.270 1.00 0.00 O ATOM 763 CB LYS A 57 -0.956 15.065 -12.175 1.00 0.00 C ATOM 764 CG LYS A 57 -2.453 15.305 -12.078 1.00 0.00 C ATOM 765 CD LYS A 57 -3.167 14.891 -13.353 1.00 0.00 C ATOM 766 CE LYS A 57 -3.470 13.400 -13.364 1.00 0.00 C ATOM 767 NZ LYS A 57 -4.800 13.100 -12.766 1.00 0.00 N ATOM 0 H LYS A 57 -1.684 13.802 -10.141 1.00 0.00 H new ATOM 0 HA LYS A 57 0.828 14.960 -10.979 1.00 0.00 H new ATOM 0 HB2 LYS A 57 -0.523 15.796 -12.858 1.00 0.00 H new ATOM 0 HB3 LYS A 57 -0.781 14.081 -12.609 1.00 0.00 H new ATOM 0 HG2 LYS A 57 -2.858 14.746 -11.235 1.00 0.00 H new ATOM 0 HG3 LYS A 57 -2.641 16.360 -11.881 1.00 0.00 H new ATOM 0 HD2 LYS A 57 -4.096 15.453 -13.450 1.00 0.00 H new ATOM 0 HD3 LYS A 57 -2.550 15.144 -14.215 1.00 0.00 H new ATOM 0 HE2 LYS A 57 -3.441 13.031 -14.389 1.00 0.00 H new ATOM 0 HE3 LYS A 57 -2.695 12.868 -12.812 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 -4.853 12.089 -12.527 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 -4.929 13.667 -11.904 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 -5.549 13.334 -13.449 1.00 0.00 H new ATOM 781 N GLY A 58 -1.580 16.830 -9.707 1.00 0.00 N ATOM 782 CA GLY A 58 -1.839 18.131 -9.119 1.00 0.00 C ATOM 783 C GLY A 58 -1.648 18.137 -7.616 1.00 0.00 C ATOM 784 O GLY A 58 -2.139 19.029 -6.924 1.00 0.00 O ATOM 0 H GLY A 58 -2.365 16.179 -9.671 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -1.175 18.868 -9.569 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -2.859 18.436 -9.354 1.00 0.00 H new ATOM 788 N ALA A 59 -0.935 17.138 -7.107 1.00 0.00 N ATOM 789 CA ALA A 59 -0.680 17.031 -5.676 1.00 0.00 C ATOM 790 C ALA A 59 0.605 17.755 -5.292 1.00 0.00 C ATOM 791 O ALA A 59 0.662 18.441 -4.272 1.00 0.00 O ATOM 792 CB ALA A 59 -0.610 15.569 -5.260 1.00 0.00 C ATOM 0 H ALA A 59 -0.523 16.390 -7.665 1.00 0.00 H new ATOM 0 HA ALA A 59 -1.506 17.508 -5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -0.419 15.504 -4.189 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -1.556 15.080 -5.490 1.00 0.00 H new ATOM 0 HB3 ALA A 59 0.196 15.074 -5.803 1.00 0.00 H new ATOM 798 N GLY A 60 1.637 17.597 -6.116 1.00 0.00 N ATOM 799 CA GLY A 60 2.909 18.242 -5.844 1.00 0.00 C ATOM 800 C GLY A 60 4.086 17.306 -6.038 1.00 0.00 C ATOM 801 O GLY A 60 4.179 16.613 -7.051 1.00 0.00 O ATOM 0 H GLY A 60 1.615 17.034 -6.966 1.00 0.00 H new ATOM 0 HA2 GLY A 60 3.023 19.105 -6.500 1.00 0.00 H new ATOM 0 HA3 GLY A 60 2.911 18.617 -4.820 1.00 0.00 H new ATOM 805 N THR A 61 4.990 17.286 -5.063 1.00 0.00 N ATOM 806 CA THR A 61 6.168 16.431 -5.132 1.00 0.00 C ATOM 807 C THR A 61 6.556 15.918 -3.750 1.00 0.00 C ATOM 808 O THR A 61 6.854 16.700 -2.848 1.00 0.00 O ATOM 809 CB THR A 61 7.368 17.177 -5.745 1.00 0.00 C ATOM 810 OG1 THR A 61 6.999 17.745 -7.007 1.00 0.00 O ATOM 811 CG2 THR A 61 8.551 16.238 -5.933 1.00 0.00 C ATOM 0 H THR A 61 4.928 17.852 -4.217 1.00 0.00 H new ATOM 0 HA THR A 61 5.909 15.587 -5.771 1.00 0.00 H new ATOM 0 HB THR A 61 7.661 17.973 -5.060 1.00 0.00 H new ATOM 0 HG1 THR A 61 7.767 18.219 -7.390 1.00 0.00 H new ATOM 0 HG21 THR A 61 9.386 16.787 -6.367 1.00 0.00 H new ATOM 0 HG22 THR A 61 8.848 15.829 -4.967 1.00 0.00 H new ATOM 0 HG23 THR A 61 8.267 15.424 -6.599 1.00 0.00 H new ATOM 819 N GLY A 62 6.551 14.598 -3.591 1.00 0.00 N ATOM 820 CA GLY A 62 6.905 14.003 -2.315 1.00 0.00 C ATOM 821 C GLY A 62 6.891 12.488 -2.358 1.00 0.00 C ATOM 822 O GLY A 62 6.944 11.890 -3.432 1.00 0.00 O ATOM 0 H GLY A 62 6.308 13.930 -4.323 1.00 0.00 H new ATOM 0 HA2 GLY A 62 7.897 14.346 -2.020 1.00 0.00 H new ATOM 0 HA3 GLY A 62 6.208 14.348 -1.551 1.00 0.00 H new ATOM 826 N GLY A 63 6.821 11.864 -1.186 1.00 0.00 N ATOM 827 CA GLY A 63 6.804 10.415 -1.117 1.00 0.00 C ATOM 828 C GLY A 63 5.487 9.875 -0.595 1.00 0.00 C ATOM 829 O GLY A 63 4.791 10.546 0.168 1.00 0.00 O ATOM 0 H GLY A 63 6.776 12.336 -0.283 1.00 0.00 H new ATOM 0 HA2 GLY A 63 6.994 10.005 -2.109 1.00 0.00 H new ATOM 0 HA3 GLY A 63 7.614 10.075 -0.471 1.00 0.00 H new ATOM 833 N LEU A 64 5.142 8.661 -1.009 1.00 0.00 N ATOM 834 CA LEU A 64 3.898 8.031 -0.580 1.00 0.00 C ATOM 835 C LEU A 64 4.170 6.691 0.095 1.00 0.00 C ATOM 836 O LEU A 64 4.934 5.872 -0.415 1.00 0.00 O ATOM 837 CB LEU A 64 2.965 7.833 -1.776 1.00 0.00 C ATOM 838 CG LEU A 64 1.607 7.199 -1.470 1.00 0.00 C ATOM 839 CD1 LEU A 64 0.668 8.223 -0.851 1.00 0.00 C ATOM 840 CD2 LEU A 64 0.997 6.609 -2.734 1.00 0.00 C ATOM 0 H LEU A 64 5.706 8.093 -1.641 1.00 0.00 H new ATOM 0 HA LEU A 64 3.417 8.689 0.143 1.00 0.00 H new ATOM 0 HB2 LEU A 64 2.794 8.803 -2.242 1.00 0.00 H new ATOM 0 HB3 LEU A 64 3.476 7.212 -2.511 1.00 0.00 H new ATOM 0 HG LEU A 64 1.757 6.393 -0.752 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -0.293 7.754 -0.640 1.00 0.00 H new ATOM 0 HD12 LEU A 64 1.100 8.599 0.077 1.00 0.00 H new ATOM 0 HD13 LEU A 64 0.523 9.051 -1.545 1.00 0.00 H new ATOM 0 HD21 LEU A 64 0.031 6.162 -2.498 1.00 0.00 H new ATOM 0 HD22 LEU A 64 0.861 7.397 -3.474 1.00 0.00 H new ATOM 0 HD23 LEU A 64 1.662 5.845 -3.136 1.00 0.00 H new ATOM 852 N GLY A 65 3.538 6.473 1.244 1.00 0.00 N ATOM 853 CA GLY A 65 3.724 5.229 1.969 1.00 0.00 C ATOM 854 C GLY A 65 2.527 4.306 1.852 1.00 0.00 C ATOM 855 O GLY A 65 1.457 4.593 2.390 1.00 0.00 O ATOM 0 H GLY A 65 2.901 7.135 1.686 1.00 0.00 H new ATOM 0 HA2 GLY A 65 4.610 4.720 1.590 1.00 0.00 H new ATOM 0 HA3 GLY A 65 3.908 5.449 3.021 1.00 0.00 H new ATOM 859 N LEU A 66 2.706 3.195 1.146 1.00 0.00 N ATOM 860 CA LEU A 66 1.632 2.226 0.958 1.00 0.00 C ATOM 861 C LEU A 66 1.905 0.950 1.748 1.00 0.00 C ATOM 862 O LEU A 66 2.957 0.328 1.599 1.00 0.00 O ATOM 863 CB LEU A 66 1.470 1.896 -0.527 1.00 0.00 C ATOM 864 CG LEU A 66 0.103 1.357 -0.949 1.00 0.00 C ATOM 865 CD1 LEU A 66 -0.864 2.501 -1.211 1.00 0.00 C ATOM 866 CD2 LEU A 66 0.235 0.476 -2.183 1.00 0.00 C ATOM 0 H LEU A 66 3.585 2.943 0.694 1.00 0.00 H new ATOM 0 HA LEU A 66 0.707 2.669 1.328 1.00 0.00 H new ATOM 0 HB2 LEU A 66 1.677 2.798 -1.104 1.00 0.00 H new ATOM 0 HB3 LEU A 66 2.228 1.162 -0.800 1.00 0.00 H new ATOM 0 HG LEU A 66 -0.294 0.751 -0.135 1.00 0.00 H new ATOM 0 HD11 LEU A 66 -1.832 2.098 -1.510 1.00 0.00 H new ATOM 0 HD12 LEU A 66 -0.982 3.093 -0.303 1.00 0.00 H new ATOM 0 HD13 LEU A 66 -0.472 3.133 -2.008 1.00 0.00 H new ATOM 0 HD21 LEU A 66 -0.748 0.101 -2.469 1.00 0.00 H new ATOM 0 HD22 LEU A 66 0.654 1.059 -3.003 1.00 0.00 H new ATOM 0 HD23 LEU A 66 0.893 -0.364 -1.962 1.00 0.00 H new ATOM 878 N THR A 67 0.950 0.564 2.587 1.00 0.00 N ATOM 879 CA THR A 67 1.086 -0.638 3.400 1.00 0.00 C ATOM 880 C THR A 67 -0.238 -1.385 3.504 1.00 0.00 C ATOM 881 O THR A 67 -1.255 -0.815 3.900 1.00 0.00 O ATOM 882 CB THR A 67 1.587 -0.305 4.818 1.00 0.00 C ATOM 883 OG1 THR A 67 0.755 0.701 5.407 1.00 0.00 O ATOM 884 CG2 THR A 67 3.029 0.179 4.782 1.00 0.00 C ATOM 0 H THR A 67 0.073 1.067 2.722 1.00 0.00 H new ATOM 0 HA THR A 67 1.820 -1.273 2.903 1.00 0.00 H new ATOM 0 HB THR A 67 1.540 -1.213 5.420 1.00 0.00 H new ATOM 0 HG1 THR A 67 1.079 0.906 6.309 1.00 0.00 H new ATOM 0 HG21 THR A 67 3.361 0.408 5.795 1.00 0.00 H new ATOM 0 HG22 THR A 67 3.664 -0.600 4.359 1.00 0.00 H new ATOM 0 HG23 THR A 67 3.096 1.076 4.166 1.00 0.00 H new ATOM 892 N VAL A 68 -0.221 -2.665 3.145 1.00 0.00 N ATOM 893 CA VAL A 68 -1.421 -3.491 3.200 1.00 0.00 C ATOM 894 C VAL A 68 -1.640 -4.049 4.602 1.00 0.00 C ATOM 895 O VAL A 68 -0.910 -4.932 5.050 1.00 0.00 O ATOM 896 CB VAL A 68 -1.344 -4.660 2.200 1.00 0.00 C ATOM 897 CG1 VAL A 68 -2.467 -5.654 2.453 1.00 0.00 C ATOM 898 CG2 VAL A 68 -1.391 -4.142 0.771 1.00 0.00 C ATOM 0 H VAL A 68 0.611 -3.152 2.813 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.260 -2.849 2.933 1.00 0.00 H new ATOM 0 HB VAL A 68 -0.395 -5.177 2.344 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -2.396 -6.473 1.737 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -2.382 -6.049 3.465 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.429 -5.154 2.338 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -1.336 -4.981 0.078 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.323 -3.600 0.611 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -0.548 -3.473 0.599 1.00 0.00 H new ATOM 908 N GLU A 69 -2.652 -3.528 5.289 1.00 0.00 N ATOM 909 CA GLU A 69 -2.967 -3.974 6.641 1.00 0.00 C ATOM 910 C GLU A 69 -3.999 -5.098 6.615 1.00 0.00 C ATOM 911 O GLU A 69 -5.118 -4.939 7.101 1.00 0.00 O ATOM 912 CB GLU A 69 -3.490 -2.806 7.479 1.00 0.00 C ATOM 913 CG GLU A 69 -2.391 -2.001 8.153 1.00 0.00 C ATOM 914 CD GLU A 69 -2.870 -1.299 9.409 1.00 0.00 C ATOM 915 OE1 GLU A 69 -2.958 -1.963 10.462 1.00 0.00 O ATOM 916 OE2 GLU A 69 -3.156 -0.085 9.338 1.00 0.00 O ATOM 0 H GLU A 69 -3.267 -2.797 4.932 1.00 0.00 H new ATOM 0 HA GLU A 69 -2.051 -4.354 7.094 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.074 -2.144 6.840 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -4.167 -3.191 8.242 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -1.563 -2.663 8.405 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.006 -1.261 7.452 1.00 0.00 H new ATOM 923 N GLY A 70 -3.614 -6.235 6.044 1.00 0.00 N ATOM 924 CA GLY A 70 -4.516 -7.369 5.965 1.00 0.00 C ATOM 925 C GLY A 70 -4.140 -8.478 6.927 1.00 0.00 C ATOM 926 O GLY A 70 -3.161 -8.381 7.668 1.00 0.00 O ATOM 0 H GLY A 70 -2.693 -6.391 5.634 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -5.532 -7.037 6.178 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -4.515 -7.759 4.947 1.00 0.00 H new ATOM 930 N PRO A 71 -4.930 -9.562 6.925 1.00 0.00 N ATOM 931 CA PRO A 71 -4.694 -10.715 7.800 1.00 0.00 C ATOM 932 C PRO A 71 -3.450 -11.501 7.401 1.00 0.00 C ATOM 933 O PRO A 71 -2.884 -12.238 8.209 1.00 0.00 O ATOM 934 CB PRO A 71 -5.950 -11.569 7.607 1.00 0.00 C ATOM 935 CG PRO A 71 -6.456 -11.198 6.256 1.00 0.00 C ATOM 936 CD PRO A 71 -6.113 -9.746 6.069 1.00 0.00 C ATOM 0 HA PRO A 71 -4.520 -10.414 8.833 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -5.718 -12.633 7.665 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -6.692 -11.362 8.378 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -5.992 -11.811 5.484 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.532 -11.357 6.185 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -5.894 -9.516 5.026 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -6.934 -9.097 6.373 1.00 0.00 H new ATOM 944 N CYS A 72 -3.028 -11.338 6.152 1.00 0.00 N ATOM 945 CA CYS A 72 -1.850 -12.033 5.645 1.00 0.00 C ATOM 946 C CYS A 72 -0.828 -11.042 5.098 1.00 0.00 C ATOM 947 O CYS A 72 -1.051 -9.832 5.116 1.00 0.00 O ATOM 948 CB CYS A 72 -2.249 -13.028 4.554 1.00 0.00 C ATOM 949 SG CYS A 72 -2.611 -14.689 5.168 1.00 0.00 S ATOM 0 H CYS A 72 -3.484 -10.730 5.471 1.00 0.00 H new ATOM 0 HA CYS A 72 -1.395 -12.577 6.473 1.00 0.00 H new ATOM 0 HB2 CYS A 72 -3.126 -12.646 4.032 1.00 0.00 H new ATOM 0 HB3 CYS A 72 -1.444 -13.090 3.822 1.00 0.00 H new ATOM 0 HG CYS A 72 -2.320 -15.564 4.251 1.00 0.00 H new ATOM 955 N GLU A 73 0.295 -11.564 4.614 1.00 0.00 N ATOM 956 CA GLU A 73 1.352 -10.724 4.064 1.00 0.00 C ATOM 957 C GLU A 73 1.374 -10.804 2.540 1.00 0.00 C ATOM 958 O GLU A 73 2.011 -11.684 1.963 1.00 0.00 O ATOM 959 CB GLU A 73 2.712 -11.144 4.627 1.00 0.00 C ATOM 960 CG GLU A 73 3.873 -10.325 4.088 1.00 0.00 C ATOM 961 CD GLU A 73 5.203 -10.730 4.693 1.00 0.00 C ATOM 962 OE1 GLU A 73 5.277 -10.852 5.934 1.00 0.00 O ATOM 963 OE2 GLU A 73 6.169 -10.926 3.926 1.00 0.00 O ATOM 0 H GLU A 73 0.496 -12.564 4.592 1.00 0.00 H new ATOM 0 HA GLU A 73 1.149 -9.693 4.353 1.00 0.00 H new ATOM 0 HB2 GLU A 73 2.689 -11.055 5.713 1.00 0.00 H new ATOM 0 HB3 GLU A 73 2.882 -12.196 4.396 1.00 0.00 H new ATOM 0 HG2 GLU A 73 3.921 -10.439 3.005 1.00 0.00 H new ATOM 0 HG3 GLU A 73 3.693 -9.269 4.290 1.00 0.00 H new ATOM 970 N ALA A 74 0.672 -9.878 1.895 1.00 0.00 N ATOM 971 CA ALA A 74 0.611 -9.842 0.440 1.00 0.00 C ATOM 972 C ALA A 74 1.687 -8.926 -0.133 1.00 0.00 C ATOM 973 O ALA A 74 1.937 -7.840 0.392 1.00 0.00 O ATOM 974 CB ALA A 74 -0.768 -9.391 -0.020 1.00 0.00 C ATOM 0 H ALA A 74 0.138 -9.143 2.358 1.00 0.00 H new ATOM 0 HA ALA A 74 0.794 -10.850 0.069 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -0.799 -9.369 -1.109 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -1.521 -10.087 0.350 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -0.973 -8.394 0.369 1.00 0.00 H new ATOM 980 N LYS A 75 2.324 -9.371 -1.211 1.00 0.00 N ATOM 981 CA LYS A 75 3.374 -8.591 -1.855 1.00 0.00 C ATOM 982 C LYS A 75 2.808 -7.310 -2.458 1.00 0.00 C ATOM 983 O LYS A 75 1.631 -7.247 -2.812 1.00 0.00 O ATOM 984 CB LYS A 75 4.058 -9.421 -2.944 1.00 0.00 C ATOM 985 CG LYS A 75 5.504 -9.026 -3.193 1.00 0.00 C ATOM 986 CD LYS A 75 6.300 -10.172 -3.794 1.00 0.00 C ATOM 987 CE LYS A 75 6.716 -11.179 -2.733 1.00 0.00 C ATOM 988 NZ LYS A 75 7.112 -12.484 -3.331 1.00 0.00 N ATOM 0 H LYS A 75 2.131 -10.268 -1.657 1.00 0.00 H new ATOM 0 HA LYS A 75 4.109 -8.321 -1.097 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.021 -10.474 -2.664 1.00 0.00 H new ATOM 0 HB3 LYS A 75 3.497 -9.319 -3.873 1.00 0.00 H new ATOM 0 HG2 LYS A 75 5.537 -8.168 -3.864 1.00 0.00 H new ATOM 0 HG3 LYS A 75 5.964 -8.715 -2.255 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.702 -10.671 -4.556 1.00 0.00 H new ATOM 0 HD3 LYS A 75 7.187 -9.779 -4.291 1.00 0.00 H new ATOM 0 HE2 LYS A 75 7.549 -10.776 -2.157 1.00 0.00 H new ATOM 0 HE3 LYS A 75 5.892 -11.334 -2.037 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 7.389 -13.143 -2.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.309 -12.881 -3.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 7.915 -12.341 -3.976 1.00 0.00 H new ATOM 1002 N ILE A 76 3.655 -6.292 -2.574 1.00 0.00 N ATOM 1003 CA ILE A 76 3.239 -5.013 -3.136 1.00 0.00 C ATOM 1004 C ILE A 76 4.290 -4.467 -4.096 1.00 0.00 C ATOM 1005 O ILE A 76 5.406 -4.143 -3.691 1.00 0.00 O ATOM 1006 CB ILE A 76 2.976 -3.971 -2.033 1.00 0.00 C ATOM 1007 CG1 ILE A 76 2.066 -4.559 -0.953 1.00 0.00 C ATOM 1008 CG2 ILE A 76 2.358 -2.714 -2.628 1.00 0.00 C ATOM 1009 CD1 ILE A 76 2.094 -3.786 0.347 1.00 0.00 C ATOM 0 H ILE A 76 4.633 -6.328 -2.286 1.00 0.00 H new ATOM 0 HA ILE A 76 2.312 -5.194 -3.680 1.00 0.00 H new ATOM 0 HB ILE A 76 3.927 -3.702 -1.573 1.00 0.00 H new ATOM 0 HG12 ILE A 76 1.043 -4.588 -1.327 1.00 0.00 H new ATOM 0 HG13 ILE A 76 2.364 -5.590 -0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 76 2.178 -1.987 -1.836 1.00 0.00 H new ATOM 0 HG22 ILE A 76 3.039 -2.287 -3.364 1.00 0.00 H new ATOM 0 HG23 ILE A 76 1.414 -2.966 -3.110 1.00 0.00 H new ATOM 0 HD11 ILE A 76 1.426 -4.259 1.066 1.00 0.00 H new ATOM 0 HD12 ILE A 76 3.109 -3.779 0.744 1.00 0.00 H new ATOM 0 HD13 ILE A 76 1.767 -2.762 0.168 1.00 0.00 H new ATOM 1021 N GLU A 77 3.925 -4.365 -5.370 1.00 0.00 N ATOM 1022 CA GLU A 77 4.837 -3.857 -6.388 1.00 0.00 C ATOM 1023 C GLU A 77 4.381 -2.491 -6.893 1.00 0.00 C ATOM 1024 O GLU A 77 3.459 -2.393 -7.703 1.00 0.00 O ATOM 1025 CB GLU A 77 4.932 -4.839 -7.557 1.00 0.00 C ATOM 1026 CG GLU A 77 6.007 -5.898 -7.376 1.00 0.00 C ATOM 1027 CD GLU A 77 6.505 -6.455 -8.696 1.00 0.00 C ATOM 1028 OE1 GLU A 77 5.712 -7.120 -9.395 1.00 0.00 O ATOM 1029 OE2 GLU A 77 7.686 -6.227 -9.028 1.00 0.00 O ATOM 0 H GLU A 77 3.004 -4.627 -5.722 1.00 0.00 H new ATOM 0 HA GLU A 77 5.822 -3.748 -5.934 1.00 0.00 H new ATOM 0 HB2 GLU A 77 3.968 -5.330 -7.687 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.132 -4.283 -8.473 1.00 0.00 H new ATOM 0 HG2 GLU A 77 6.846 -5.469 -6.827 1.00 0.00 H new ATOM 0 HG3 GLU A 77 5.611 -6.712 -6.768 1.00 0.00 H new ATOM 1036 N CYS A 78 5.034 -1.440 -6.409 1.00 0.00 N ATOM 1037 CA CYS A 78 4.696 -0.079 -6.810 1.00 0.00 C ATOM 1038 C CYS A 78 5.652 0.424 -7.887 1.00 0.00 C ATOM 1039 O CYS A 78 6.869 0.422 -7.702 1.00 0.00 O ATOM 1040 CB CYS A 78 4.735 0.856 -5.600 1.00 0.00 C ATOM 1041 SG CYS A 78 6.369 1.017 -4.844 1.00 0.00 S ATOM 0 H CYS A 78 5.800 -1.504 -5.739 1.00 0.00 H new ATOM 0 HA CYS A 78 3.687 -0.088 -7.221 1.00 0.00 H new ATOM 0 HB2 CYS A 78 4.389 1.843 -5.906 1.00 0.00 H new ATOM 0 HB3 CYS A 78 4.034 0.491 -4.850 1.00 0.00 H new ATOM 0 HG CYS A 78 7.284 0.745 -5.726 1.00 0.00 H new ATOM 1047 N SER A 79 5.092 0.853 -9.014 1.00 0.00 N ATOM 1048 CA SER A 79 5.895 1.353 -10.124 1.00 0.00 C ATOM 1049 C SER A 79 5.292 2.632 -10.697 1.00 0.00 C ATOM 1050 O SER A 79 4.074 2.750 -10.835 1.00 0.00 O ATOM 1051 CB SER A 79 6.005 0.292 -11.221 1.00 0.00 C ATOM 1052 OG SER A 79 6.988 0.648 -12.177 1.00 0.00 O ATOM 0 H SER A 79 4.086 0.864 -9.182 1.00 0.00 H new ATOM 0 HA SER A 79 6.892 1.579 -9.746 1.00 0.00 H new ATOM 0 HB2 SER A 79 6.257 -0.671 -10.776 1.00 0.00 H new ATOM 0 HB3 SER A 79 5.040 0.172 -11.714 1.00 0.00 H new ATOM 0 HG SER A 79 7.040 -0.047 -12.866 1.00 0.00 H new ATOM 1058 N ASP A 80 6.154 3.588 -11.029 1.00 0.00 N ATOM 1059 CA ASP A 80 5.708 4.859 -11.588 1.00 0.00 C ATOM 1060 C ASP A 80 5.358 4.709 -13.066 1.00 0.00 C ATOM 1061 O ASP A 80 5.917 3.864 -13.763 1.00 0.00 O ATOM 1062 CB ASP A 80 6.790 5.925 -11.413 1.00 0.00 C ATOM 1063 CG ASP A 80 6.880 6.430 -9.986 1.00 0.00 C ATOM 1064 OD1 ASP A 80 6.825 5.596 -9.058 1.00 0.00 O ATOM 1065 OD2 ASP A 80 7.004 7.658 -9.798 1.00 0.00 O ATOM 0 H ASP A 80 7.165 3.506 -10.921 1.00 0.00 H new ATOM 0 HA ASP A 80 4.812 5.170 -11.050 1.00 0.00 H new ATOM 0 HB2 ASP A 80 7.754 5.512 -11.711 1.00 0.00 H new ATOM 0 HB3 ASP A 80 6.582 6.762 -12.079 1.00 0.00 H new ATOM 1070 N ASN A 81 4.429 5.536 -13.535 1.00 0.00 N ATOM 1071 CA ASN A 81 4.003 5.494 -14.929 1.00 0.00 C ATOM 1072 C ASN A 81 4.758 6.528 -15.759 1.00 0.00 C ATOM 1073 O ASN A 81 5.209 6.240 -16.867 1.00 0.00 O ATOM 1074 CB ASN A 81 2.497 5.743 -15.032 1.00 0.00 C ATOM 1075 CG ASN A 81 1.688 4.724 -14.253 1.00 0.00 C ATOM 1076 OD1 ASN A 81 1.866 3.517 -14.417 1.00 0.00 O ATOM 1077 ND2 ASN A 81 0.793 5.207 -13.399 1.00 0.00 N ATOM 0 H ASN A 81 3.957 6.243 -12.971 1.00 0.00 H new ATOM 0 HA ASN A 81 4.228 4.503 -15.322 1.00 0.00 H new ATOM 0 HB2 ASN A 81 2.271 6.743 -14.661 1.00 0.00 H new ATOM 0 HB3 ASN A 81 2.198 5.716 -16.080 1.00 0.00 H new ATOM 0 HD21 ASN A 81 0.219 4.570 -12.847 1.00 0.00 H new ATOM 0 HD22 ASN A 81 0.679 6.215 -13.295 1.00 0.00 H new ATOM 1084 N GLY A 82 4.893 7.733 -15.214 1.00 0.00 N ATOM 1085 CA GLY A 82 5.594 8.791 -15.918 1.00 0.00 C ATOM 1086 C GLY A 82 4.698 9.973 -16.231 1.00 0.00 C ATOM 1087 O GLY A 82 5.176 11.094 -16.406 1.00 0.00 O ATOM 0 H GLY A 82 4.530 7.995 -14.298 1.00 0.00 H new ATOM 0 HA2 GLY A 82 6.437 9.128 -15.315 1.00 0.00 H new ATOM 0 HA3 GLY A 82 6.005 8.395 -16.847 1.00 0.00 H new ATOM 1091 N ASP A 83 3.396 9.722 -16.304 1.00 0.00 N ATOM 1092 CA ASP A 83 2.430 10.774 -16.599 1.00 0.00 C ATOM 1093 C ASP A 83 1.857 11.362 -15.313 1.00 0.00 C ATOM 1094 O ASP A 83 0.739 11.875 -15.297 1.00 0.00 O ATOM 1095 CB ASP A 83 1.299 10.227 -17.472 1.00 0.00 C ATOM 1096 CG ASP A 83 0.378 9.295 -16.710 1.00 0.00 C ATOM 1097 OD1 ASP A 83 0.666 8.080 -16.668 1.00 0.00 O ATOM 1098 OD2 ASP A 83 -0.630 9.780 -16.155 1.00 0.00 O ATOM 0 H ASP A 83 2.985 8.799 -16.163 1.00 0.00 H new ATOM 0 HA ASP A 83 2.947 11.566 -17.141 1.00 0.00 H new ATOM 0 HB2 ASP A 83 0.719 11.058 -17.873 1.00 0.00 H new ATOM 0 HB3 ASP A 83 1.725 9.696 -18.323 1.00 0.00 H new ATOM 1103 N GLY A 84 2.632 11.283 -14.235 1.00 0.00 N ATOM 1104 CA GLY A 84 2.184 11.810 -12.959 1.00 0.00 C ATOM 1105 C GLY A 84 1.223 10.876 -12.251 1.00 0.00 C ATOM 1106 O GLY A 84 0.444 11.304 -11.398 1.00 0.00 O ATOM 0 H GLY A 84 3.562 10.864 -14.223 1.00 0.00 H new ATOM 0 HA2 GLY A 84 3.049 11.989 -12.320 1.00 0.00 H new ATOM 0 HA3 GLY A 84 1.699 12.773 -13.117 1.00 0.00 H new ATOM 1110 N THR A 85 1.276 9.596 -12.605 1.00 0.00 N ATOM 1111 CA THR A 85 0.401 8.599 -12.000 1.00 0.00 C ATOM 1112 C THR A 85 1.204 7.428 -11.445 1.00 0.00 C ATOM 1113 O THR A 85 2.364 7.231 -11.808 1.00 0.00 O ATOM 1114 CB THR A 85 -0.629 8.066 -13.014 1.00 0.00 C ATOM 1115 OG1 THR A 85 0.031 7.675 -14.223 1.00 0.00 O ATOM 1116 CG2 THR A 85 -1.681 9.120 -13.322 1.00 0.00 C ATOM 0 H THR A 85 1.916 9.225 -13.308 1.00 0.00 H new ATOM 0 HA THR A 85 -0.126 9.094 -11.184 1.00 0.00 H new ATOM 0 HB THR A 85 -1.124 7.200 -12.575 1.00 0.00 H new ATOM 0 HG1 THR A 85 -0.630 7.336 -14.862 1.00 0.00 H new ATOM 0 HG21 THR A 85 -2.397 8.720 -14.040 1.00 0.00 H new ATOM 0 HG22 THR A 85 -2.202 9.393 -12.404 1.00 0.00 H new ATOM 0 HG23 THR A 85 -1.199 10.003 -13.743 1.00 0.00 H new ATOM 1124 N CYS A 86 0.580 6.655 -10.563 1.00 0.00 N ATOM 1125 CA CYS A 86 1.238 5.502 -9.957 1.00 0.00 C ATOM 1126 C CYS A 86 0.384 4.247 -10.110 1.00 0.00 C ATOM 1127 O CYS A 86 -0.826 4.277 -9.889 1.00 0.00 O ATOM 1128 CB CYS A 86 1.516 5.768 -8.477 1.00 0.00 C ATOM 1129 SG CYS A 86 2.747 7.058 -8.177 1.00 0.00 S ATOM 0 H CYS A 86 -0.380 6.805 -10.252 1.00 0.00 H new ATOM 0 HA CYS A 86 2.184 5.340 -10.473 1.00 0.00 H new ATOM 0 HB2 CYS A 86 0.583 6.050 -7.988 1.00 0.00 H new ATOM 0 HB3 CYS A 86 1.854 4.843 -8.010 1.00 0.00 H new ATOM 0 HG CYS A 86 2.912 7.211 -6.897 1.00 0.00 H new ATOM 1135 N SER A 87 1.024 3.146 -10.489 1.00 0.00 N ATOM 1136 CA SER A 87 0.322 1.881 -10.677 1.00 0.00 C ATOM 1137 C SER A 87 0.880 0.807 -9.747 1.00 0.00 C ATOM 1138 O SER A 87 1.866 0.144 -10.068 1.00 0.00 O ATOM 1139 CB SER A 87 0.436 1.421 -12.132 1.00 0.00 C ATOM 1140 OG SER A 87 -0.290 0.223 -12.346 1.00 0.00 O ATOM 0 H SER A 87 2.027 3.104 -10.672 1.00 0.00 H new ATOM 0 HA SER A 87 -0.729 2.037 -10.434 1.00 0.00 H new ATOM 0 HB2 SER A 87 0.060 2.201 -12.794 1.00 0.00 H new ATOM 0 HB3 SER A 87 1.484 1.265 -12.386 1.00 0.00 H new ATOM 0 HG SER A 87 -1.243 0.431 -12.443 1.00 0.00 H new ATOM 1146 N VAL A 88 0.242 0.643 -8.593 1.00 0.00 N ATOM 1147 CA VAL A 88 0.672 -0.350 -7.616 1.00 0.00 C ATOM 1148 C VAL A 88 -0.155 -1.626 -7.728 1.00 0.00 C ATOM 1149 O VAL A 88 -1.381 -1.594 -7.625 1.00 0.00 O ATOM 1150 CB VAL A 88 0.566 0.193 -6.179 1.00 0.00 C ATOM 1151 CG1 VAL A 88 1.176 -0.788 -5.190 1.00 0.00 C ATOM 1152 CG2 VAL A 88 1.236 1.555 -6.074 1.00 0.00 C ATOM 0 H VAL A 88 -0.575 1.185 -8.312 1.00 0.00 H new ATOM 0 HA VAL A 88 1.716 -0.577 -7.834 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.489 0.312 -5.931 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.091 -0.386 -4.180 1.00 0.00 H new ATOM 0 HG12 VAL A 88 0.647 -1.739 -5.248 1.00 0.00 H new ATOM 0 HG13 VAL A 88 2.227 -0.942 -5.432 1.00 0.00 H new ATOM 0 HG21 VAL A 88 1.152 1.924 -5.052 1.00 0.00 H new ATOM 0 HG22 VAL A 88 2.289 1.464 -6.341 1.00 0.00 H new ATOM 0 HG23 VAL A 88 0.748 2.254 -6.753 1.00 0.00 H new ATOM 1162 N SER A 89 0.524 -2.749 -7.939 1.00 0.00 N ATOM 1163 CA SER A 89 -0.149 -4.036 -8.068 1.00 0.00 C ATOM 1164 C SER A 89 0.233 -4.966 -6.921 1.00 0.00 C ATOM 1165 O SER A 89 1.409 -5.102 -6.582 1.00 0.00 O ATOM 1166 CB SER A 89 0.204 -4.688 -9.407 1.00 0.00 C ATOM 1167 OG SER A 89 1.557 -5.110 -9.428 1.00 0.00 O ATOM 0 H SER A 89 1.539 -2.794 -8.024 1.00 0.00 H new ATOM 0 HA SER A 89 -1.224 -3.861 -8.029 1.00 0.00 H new ATOM 0 HB2 SER A 89 -0.449 -5.543 -9.582 1.00 0.00 H new ATOM 0 HB3 SER A 89 0.028 -3.980 -10.217 1.00 0.00 H new ATOM 0 HG SER A 89 1.918 -5.098 -8.517 1.00 0.00 H new ATOM 1173 N TYR A 90 -0.769 -5.604 -6.326 1.00 0.00 N ATOM 1174 CA TYR A 90 -0.539 -6.520 -5.215 1.00 0.00 C ATOM 1175 C TYR A 90 -1.095 -7.906 -5.528 1.00 0.00 C ATOM 1176 O TYR A 90 -1.964 -8.061 -6.387 1.00 0.00 O ATOM 1177 CB TYR A 90 -1.183 -5.977 -3.938 1.00 0.00 C ATOM 1178 CG TYR A 90 -2.695 -5.976 -3.975 1.00 0.00 C ATOM 1179 CD1 TYR A 90 -3.395 -4.916 -4.538 1.00 0.00 C ATOM 1180 CD2 TYR A 90 -3.423 -7.035 -3.447 1.00 0.00 C ATOM 1181 CE1 TYR A 90 -4.776 -4.910 -4.574 1.00 0.00 C ATOM 1182 CE2 TYR A 90 -4.804 -7.039 -3.480 1.00 0.00 C ATOM 1183 CZ TYR A 90 -5.476 -5.974 -4.044 1.00 0.00 C ATOM 1184 OH TYR A 90 -6.852 -5.974 -4.077 1.00 0.00 O ATOM 0 H TYR A 90 -1.748 -5.504 -6.594 1.00 0.00 H new ATOM 0 HA TYR A 90 0.537 -6.605 -5.064 1.00 0.00 H new ATOM 0 HB2 TYR A 90 -0.849 -6.575 -3.090 1.00 0.00 H new ATOM 0 HB3 TYR A 90 -0.831 -4.959 -3.768 1.00 0.00 H new ATOM 0 HD1 TYR A 90 -2.850 -4.082 -4.955 1.00 0.00 H new ATOM 0 HD2 TYR A 90 -2.900 -7.869 -3.003 1.00 0.00 H new ATOM 0 HE1 TYR A 90 -5.304 -4.077 -5.014 1.00 0.00 H new ATOM 0 HE2 TYR A 90 -5.355 -7.871 -3.067 1.00 0.00 H new ATOM 0 HH TYR A 90 -7.177 -5.054 -4.173 1.00 0.00 H new ATOM 1194 N LEU A 91 -0.587 -8.912 -4.824 1.00 0.00 N ATOM 1195 CA LEU A 91 -1.032 -10.287 -5.025 1.00 0.00 C ATOM 1196 C LEU A 91 -1.404 -10.938 -3.697 1.00 0.00 C ATOM 1197 O LEU A 91 -0.545 -11.330 -2.907 1.00 0.00 O ATOM 1198 CB LEU A 91 0.063 -11.102 -5.716 1.00 0.00 C ATOM 1199 CG LEU A 91 0.012 -11.135 -7.244 1.00 0.00 C ATOM 1200 CD1 LEU A 91 1.371 -11.506 -7.816 1.00 0.00 C ATOM 1201 CD2 LEU A 91 -1.054 -12.112 -7.720 1.00 0.00 C ATOM 0 H LEU A 91 0.133 -8.802 -4.110 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.918 -10.267 -5.660 1.00 0.00 H new ATOM 0 HB2 LEU A 91 1.031 -10.703 -5.413 1.00 0.00 H new ATOM 0 HB3 LEU A 91 0.012 -12.127 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 91 -0.250 -10.139 -7.602 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.315 -11.524 -8.904 1.00 0.00 H new ATOM 0 HD12 LEU A 91 2.111 -10.769 -7.503 1.00 0.00 H new ATOM 0 HD13 LEU A 91 1.663 -12.491 -7.451 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -1.077 -12.123 -8.810 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -0.822 -13.111 -7.352 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -2.027 -11.802 -7.340 1.00 0.00 H new ATOM 1213 N PRO A 92 -2.716 -11.059 -3.444 1.00 0.00 N ATOM 1214 CA PRO A 92 -3.233 -11.665 -2.214 1.00 0.00 C ATOM 1215 C PRO A 92 -2.984 -13.168 -2.159 1.00 0.00 C ATOM 1216 O PRO A 92 -2.681 -13.796 -3.174 1.00 0.00 O ATOM 1217 CB PRO A 92 -4.734 -11.374 -2.278 1.00 0.00 C ATOM 1218 CG PRO A 92 -5.029 -11.221 -3.731 1.00 0.00 C ATOM 1219 CD PRO A 92 -3.796 -10.614 -4.341 1.00 0.00 C ATOM 0 HA PRO A 92 -2.745 -11.263 -1.326 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -5.314 -12.186 -1.840 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -4.986 -10.469 -1.726 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -5.256 -12.185 -4.187 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -5.898 -10.581 -3.888 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -3.640 -10.963 -5.362 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -3.862 -9.527 -4.382 1.00 0.00 H new ATOM 1227 N THR A 93 -3.113 -13.742 -0.967 1.00 0.00 N ATOM 1228 CA THR A 93 -2.902 -15.172 -0.779 1.00 0.00 C ATOM 1229 C THR A 93 -4.190 -15.868 -0.356 1.00 0.00 C ATOM 1230 O THR A 93 -4.497 -16.966 -0.820 1.00 0.00 O ATOM 1231 CB THR A 93 -1.814 -15.445 0.276 1.00 0.00 C ATOM 1232 OG1 THR A 93 -2.163 -14.817 1.514 1.00 0.00 O ATOM 1233 CG2 THR A 93 -0.461 -14.932 -0.196 1.00 0.00 C ATOM 0 H THR A 93 -3.363 -13.238 -0.116 1.00 0.00 H new ATOM 0 HA THR A 93 -2.576 -15.572 -1.739 1.00 0.00 H new ATOM 0 HB THR A 93 -1.745 -16.523 0.423 1.00 0.00 H new ATOM 0 HG1 THR A 93 -1.467 -14.997 2.180 1.00 0.00 H new ATOM 0 HG21 THR A 93 0.291 -15.136 0.566 1.00 0.00 H new ATOM 0 HG22 THR A 93 -0.185 -15.434 -1.123 1.00 0.00 H new ATOM 0 HG23 THR A 93 -0.520 -13.857 -0.369 1.00 0.00 H new ATOM 1241 N LYS A 94 -4.943 -15.221 0.528 1.00 0.00 N ATOM 1242 CA LYS A 94 -6.201 -15.776 1.013 1.00 0.00 C ATOM 1243 C LYS A 94 -7.332 -14.763 0.875 1.00 0.00 C ATOM 1244 O LYS A 94 -7.133 -13.554 0.995 1.00 0.00 O ATOM 1245 CB LYS A 94 -6.062 -16.206 2.476 1.00 0.00 C ATOM 1246 CG LYS A 94 -5.584 -15.093 3.393 1.00 0.00 C ATOM 1247 CD LYS A 94 -6.081 -15.292 4.815 1.00 0.00 C ATOM 1248 CE LYS A 94 -5.430 -16.501 5.470 1.00 0.00 C ATOM 1249 NZ LYS A 94 -6.157 -17.761 5.154 1.00 0.00 N ATOM 0 H LYS A 94 -4.703 -14.312 0.923 1.00 0.00 H new ATOM 0 HA LYS A 94 -6.443 -16.648 0.406 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -7.026 -16.571 2.832 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -5.363 -17.041 2.536 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.495 -15.059 3.389 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.934 -14.133 3.015 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -5.869 -14.400 5.404 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -7.164 -15.419 4.809 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -4.397 -16.584 5.134 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -5.403 -16.358 6.550 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -6.108 -18.404 5.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -7.152 -17.544 4.944 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -5.720 -18.216 4.327 1.00 0.00 H new ATOM 1263 N PRO A 95 -8.550 -15.264 0.618 1.00 0.00 N ATOM 1264 CA PRO A 95 -9.737 -14.419 0.461 1.00 0.00 C ATOM 1265 C PRO A 95 -10.171 -13.778 1.775 1.00 0.00 C ATOM 1266 O PRO A 95 -10.426 -14.470 2.759 1.00 0.00 O ATOM 1267 CB PRO A 95 -10.805 -15.397 -0.036 1.00 0.00 C ATOM 1268 CG PRO A 95 -10.364 -16.728 0.469 1.00 0.00 C ATOM 1269 CD PRO A 95 -8.861 -16.695 0.463 1.00 0.00 C ATOM 0 HA PRO A 95 -9.556 -13.584 -0.216 1.00 0.00 H new ATOM 0 HB2 PRO A 95 -11.791 -15.135 0.348 1.00 0.00 H new ATOM 0 HB3 PRO A 95 -10.874 -15.389 -1.124 1.00 0.00 H new ATOM 0 HG2 PRO A 95 -10.746 -16.911 1.473 1.00 0.00 H new ATOM 0 HG3 PRO A 95 -10.739 -17.530 -0.166 1.00 0.00 H new ATOM 0 HD2 PRO A 95 -8.443 -17.287 1.277 1.00 0.00 H new ATOM 0 HD3 PRO A 95 -8.454 -17.096 -0.465 1.00 0.00 H new ATOM 1277 N GLY A 96 -10.253 -12.451 1.782 1.00 0.00 N ATOM 1278 CA GLY A 96 -10.657 -11.740 2.981 1.00 0.00 C ATOM 1279 C GLY A 96 -10.840 -10.254 2.739 1.00 0.00 C ATOM 1280 O GLY A 96 -11.738 -9.845 2.004 1.00 0.00 O ATOM 0 H GLY A 96 -10.047 -11.856 0.979 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -11.590 -12.162 3.353 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -9.907 -11.889 3.758 1.00 0.00 H new ATOM 1284 N GLU A 97 -9.987 -9.446 3.360 1.00 0.00 N ATOM 1285 CA GLU A 97 -10.062 -7.997 3.210 1.00 0.00 C ATOM 1286 C GLU A 97 -8.697 -7.355 3.442 1.00 0.00 C ATOM 1287 O GLU A 97 -8.049 -7.598 4.460 1.00 0.00 O ATOM 1288 CB GLU A 97 -11.085 -7.413 4.186 1.00 0.00 C ATOM 1289 CG GLU A 97 -10.618 -7.418 5.632 1.00 0.00 C ATOM 1290 CD GLU A 97 -10.290 -8.811 6.134 1.00 0.00 C ATOM 1291 OE1 GLU A 97 -11.070 -9.744 5.851 1.00 0.00 O ATOM 1292 OE2 GLU A 97 -9.252 -8.968 6.811 1.00 0.00 O ATOM 0 H GLU A 97 -9.237 -9.769 3.971 1.00 0.00 H new ATOM 0 HA GLU A 97 -10.379 -7.779 2.190 1.00 0.00 H new ATOM 0 HB2 GLU A 97 -11.313 -6.389 3.890 1.00 0.00 H new ATOM 0 HB3 GLU A 97 -12.012 -7.981 4.110 1.00 0.00 H new ATOM 0 HG2 GLU A 97 -9.736 -6.784 5.727 1.00 0.00 H new ATOM 0 HG3 GLU A 97 -11.393 -6.982 6.262 1.00 0.00 H new ATOM 1299 N TYR A 98 -8.266 -6.535 2.489 1.00 0.00 N ATOM 1300 CA TYR A 98 -6.977 -5.860 2.587 1.00 0.00 C ATOM 1301 C TYR A 98 -7.153 -4.345 2.565 1.00 0.00 C ATOM 1302 O TYR A 98 -7.675 -3.783 1.602 1.00 0.00 O ATOM 1303 CB TYR A 98 -6.062 -6.295 1.442 1.00 0.00 C ATOM 1304 CG TYR A 98 -5.846 -7.790 1.374 1.00 0.00 C ATOM 1305 CD1 TYR A 98 -6.784 -8.621 0.773 1.00 0.00 C ATOM 1306 CD2 TYR A 98 -4.704 -8.372 1.910 1.00 0.00 C ATOM 1307 CE1 TYR A 98 -6.592 -9.987 0.710 1.00 0.00 C ATOM 1308 CE2 TYR A 98 -4.502 -9.737 1.850 1.00 0.00 C ATOM 1309 CZ TYR A 98 -5.449 -10.541 1.249 1.00 0.00 C ATOM 1310 OH TYR A 98 -5.252 -11.901 1.187 1.00 0.00 O ATOM 0 H TYR A 98 -8.790 -6.322 1.640 1.00 0.00 H new ATOM 0 HA TYR A 98 -6.519 -6.141 3.536 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -6.488 -5.955 0.498 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -5.096 -5.801 1.552 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.679 -8.191 0.348 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -3.961 -7.746 2.382 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.332 -10.618 0.241 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -3.608 -10.173 2.271 1.00 0.00 H new ATOM 0 HH TYR A 98 -6.058 -12.333 0.834 1.00 0.00 H new ATOM 1320 N PHE A 99 -6.713 -3.689 3.634 1.00 0.00 N ATOM 1321 CA PHE A 99 -6.821 -2.239 3.739 1.00 0.00 C ATOM 1322 C PHE A 99 -5.563 -1.560 3.208 1.00 0.00 C ATOM 1323 O PHE A 99 -4.487 -1.671 3.797 1.00 0.00 O ATOM 1324 CB PHE A 99 -7.060 -1.828 5.194 1.00 0.00 C ATOM 1325 CG PHE A 99 -8.416 -2.217 5.711 1.00 0.00 C ATOM 1326 CD1 PHE A 99 -8.815 -3.544 5.717 1.00 0.00 C ATOM 1327 CD2 PHE A 99 -9.290 -1.256 6.193 1.00 0.00 C ATOM 1328 CE1 PHE A 99 -10.062 -3.904 6.191 1.00 0.00 C ATOM 1329 CE2 PHE A 99 -10.538 -1.610 6.670 1.00 0.00 C ATOM 1330 CZ PHE A 99 -10.924 -2.936 6.670 1.00 0.00 C ATOM 0 H PHE A 99 -6.278 -4.139 4.440 1.00 0.00 H new ATOM 0 HA PHE A 99 -7.669 -1.918 3.134 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -6.295 -2.285 5.823 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -6.942 -0.748 5.282 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -8.144 -4.305 5.347 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -8.993 -0.218 6.196 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -10.363 -4.941 6.187 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -11.210 -0.851 7.042 1.00 0.00 H new ATOM 0 HZ PHE A 99 -11.898 -3.216 7.044 1.00 0.00 H new ATOM 1340 N VAL A 100 -5.705 -0.856 2.089 1.00 0.00 N ATOM 1341 CA VAL A 100 -4.580 -0.158 1.477 1.00 0.00 C ATOM 1342 C VAL A 100 -4.370 1.211 2.115 1.00 0.00 C ATOM 1343 O VAL A 100 -5.119 2.151 1.852 1.00 0.00 O ATOM 1344 CB VAL A 100 -4.788 0.021 -0.039 1.00 0.00 C ATOM 1345 CG1 VAL A 100 -3.568 0.671 -0.673 1.00 0.00 C ATOM 1346 CG2 VAL A 100 -5.091 -1.317 -0.696 1.00 0.00 C ATOM 0 H VAL A 100 -6.588 -0.754 1.588 1.00 0.00 H new ATOM 0 HA VAL A 100 -3.696 -0.774 1.645 1.00 0.00 H new ATOM 0 HB VAL A 100 -5.643 0.679 -0.196 1.00 0.00 H new ATOM 0 HG11 VAL A 100 -3.734 0.789 -1.744 1.00 0.00 H new ATOM 0 HG12 VAL A 100 -3.401 1.649 -0.222 1.00 0.00 H new ATOM 0 HG13 VAL A 100 -2.694 0.041 -0.509 1.00 0.00 H new ATOM 0 HG21 VAL A 100 -5.235 -1.172 -1.767 1.00 0.00 H new ATOM 0 HG22 VAL A 100 -4.258 -2.000 -0.531 1.00 0.00 H new ATOM 0 HG23 VAL A 100 -5.997 -1.739 -0.262 1.00 0.00 H new ATOM 1356 N ASN A 101 -3.345 1.315 2.954 1.00 0.00 N ATOM 1357 CA ASN A 101 -3.036 2.570 3.630 1.00 0.00 C ATOM 1358 C ASN A 101 -2.255 3.505 2.712 1.00 0.00 C ATOM 1359 O ASN A 101 -1.075 3.281 2.439 1.00 0.00 O ATOM 1360 CB ASN A 101 -2.233 2.302 4.905 1.00 0.00 C ATOM 1361 CG ASN A 101 -3.018 1.499 5.924 1.00 0.00 C ATOM 1362 OD1 ASN A 101 -3.582 2.054 6.867 1.00 0.00 O ATOM 1363 ND2 ASN A 101 -3.057 0.184 5.738 1.00 0.00 N ATOM 0 H ASN A 101 -2.715 0.546 3.182 1.00 0.00 H new ATOM 0 HA ASN A 101 -3.977 3.052 3.895 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -1.319 1.766 4.650 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -1.932 3.251 5.348 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -3.569 -0.408 6.391 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -2.574 -0.233 4.942 1.00 0.00 H new ATOM 1370 N ILE A 102 -2.921 4.552 2.238 1.00 0.00 N ATOM 1371 CA ILE A 102 -2.289 5.522 1.352 1.00 0.00 C ATOM 1372 C ILE A 102 -2.055 6.849 2.066 1.00 0.00 C ATOM 1373 O ILE A 102 -3.002 7.569 2.387 1.00 0.00 O ATOM 1374 CB ILE A 102 -3.140 5.772 0.093 1.00 0.00 C ATOM 1375 CG1 ILE A 102 -3.542 4.443 -0.550 1.00 0.00 C ATOM 1376 CG2 ILE A 102 -2.377 6.637 -0.899 1.00 0.00 C ATOM 1377 CD1 ILE A 102 -4.695 4.566 -1.521 1.00 0.00 C ATOM 0 H ILE A 102 -3.898 4.751 2.453 1.00 0.00 H new ATOM 0 HA ILE A 102 -1.330 5.099 1.054 1.00 0.00 H new ATOM 0 HB ILE A 102 -4.047 6.302 0.385 1.00 0.00 H new ATOM 0 HG12 ILE A 102 -2.681 4.026 -1.072 1.00 0.00 H new ATOM 0 HG13 ILE A 102 -3.812 3.736 0.234 1.00 0.00 H new ATOM 0 HG21 ILE A 102 -2.992 6.805 -1.783 1.00 0.00 H new ATOM 0 HG22 ILE A 102 -2.137 7.595 -0.437 1.00 0.00 H new ATOM 0 HG23 ILE A 102 -1.455 6.132 -1.188 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -4.926 3.586 -1.938 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -5.570 4.953 -0.999 1.00 0.00 H new ATOM 0 HD13 ILE A 102 -4.421 5.248 -2.326 1.00 0.00 H new ATOM 1389 N LEU A 103 -0.789 7.168 2.311 1.00 0.00 N ATOM 1390 CA LEU A 103 -0.430 8.410 2.986 1.00 0.00 C ATOM 1391 C LEU A 103 0.689 9.130 2.241 1.00 0.00 C ATOM 1392 O LEU A 103 1.714 8.533 1.911 1.00 0.00 O ATOM 1393 CB LEU A 103 0.001 8.125 4.426 1.00 0.00 C ATOM 1394 CG LEU A 103 0.644 6.761 4.677 1.00 0.00 C ATOM 1395 CD1 LEU A 103 2.145 6.828 4.440 1.00 0.00 C ATOM 1396 CD2 LEU A 103 0.347 6.283 6.090 1.00 0.00 C ATOM 0 H LEU A 103 0.006 6.584 2.052 1.00 0.00 H new ATOM 0 HA LEU A 103 -1.308 9.056 2.998 1.00 0.00 H new ATOM 0 HB2 LEU A 103 0.705 8.898 4.733 1.00 0.00 H new ATOM 0 HB3 LEU A 103 -0.873 8.216 5.070 1.00 0.00 H new ATOM 0 HG LEU A 103 0.217 6.044 3.975 1.00 0.00 H new ATOM 0 HD11 LEU A 103 2.586 5.848 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 103 2.338 7.126 3.409 1.00 0.00 H new ATOM 0 HD13 LEU A 103 2.588 7.558 5.117 1.00 0.00 H new ATOM 0 HD21 LEU A 103 0.813 5.311 6.251 1.00 0.00 H new ATOM 0 HD22 LEU A 103 0.746 6.999 6.808 1.00 0.00 H new ATOM 0 HD23 LEU A 103 -0.731 6.196 6.226 1.00 0.00 H new ATOM 1408 N PHE A 104 0.488 10.418 1.982 1.00 0.00 N ATOM 1409 CA PHE A 104 1.481 11.221 1.278 1.00 0.00 C ATOM 1410 C PHE A 104 2.312 12.042 2.259 1.00 0.00 C ATOM 1411 O PHE A 104 1.794 12.929 2.936 1.00 0.00 O ATOM 1412 CB PHE A 104 0.797 12.148 0.271 1.00 0.00 C ATOM 1413 CG PHE A 104 1.693 12.572 -0.858 1.00 0.00 C ATOM 1414 CD1 PHE A 104 2.302 11.629 -1.669 1.00 0.00 C ATOM 1415 CD2 PHE A 104 1.926 13.915 -1.107 1.00 0.00 C ATOM 1416 CE1 PHE A 104 3.127 12.016 -2.708 1.00 0.00 C ATOM 1417 CE2 PHE A 104 2.750 14.308 -2.145 1.00 0.00 C ATOM 1418 CZ PHE A 104 3.352 13.357 -2.946 1.00 0.00 C ATOM 0 H PHE A 104 -0.354 10.928 2.249 1.00 0.00 H new ATOM 0 HA PHE A 104 2.147 10.543 0.744 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.078 11.643 -0.140 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.438 13.035 0.792 1.00 0.00 H new ATOM 0 HD1 PHE A 104 2.130 10.578 -1.487 1.00 0.00 H new ATOM 0 HD2 PHE A 104 1.459 14.663 -0.483 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.595 11.270 -3.333 1.00 0.00 H new ATOM 0 HE2 PHE A 104 2.923 15.358 -2.330 1.00 0.00 H new ATOM 0 HZ PHE A 104 3.997 13.662 -3.757 1.00 0.00 H new ATOM 1428 N GLU A 105 3.604 11.738 2.330 1.00 0.00 N ATOM 1429 CA GLU A 105 4.507 12.446 3.229 1.00 0.00 C ATOM 1430 C GLU A 105 4.007 12.375 4.670 1.00 0.00 C ATOM 1431 O GLU A 105 4.014 13.373 5.389 1.00 0.00 O ATOM 1432 CB GLU A 105 4.648 13.908 2.799 1.00 0.00 C ATOM 1433 CG GLU A 105 5.379 14.086 1.479 1.00 0.00 C ATOM 1434 CD GLU A 105 6.883 14.168 1.651 1.00 0.00 C ATOM 1435 OE1 GLU A 105 7.333 14.619 2.725 1.00 0.00 O ATOM 1436 OE2 GLU A 105 7.610 13.780 0.713 1.00 0.00 O ATOM 0 H GLU A 105 4.049 11.006 1.776 1.00 0.00 H new ATOM 0 HA GLU A 105 5.483 11.963 3.176 1.00 0.00 H new ATOM 0 HB2 GLU A 105 3.656 14.351 2.718 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.180 14.457 3.576 1.00 0.00 H new ATOM 0 HG2 GLU A 105 5.138 13.253 0.819 1.00 0.00 H new ATOM 0 HG3 GLU A 105 5.023 14.993 0.990 1.00 0.00 H new ATOM 1443 N GLU A 106 3.574 11.187 5.081 1.00 0.00 N ATOM 1444 CA GLU A 106 3.069 10.986 6.434 1.00 0.00 C ATOM 1445 C GLU A 106 1.703 11.642 6.608 1.00 0.00 C ATOM 1446 O GLU A 106 1.347 12.081 7.702 1.00 0.00 O ATOM 1447 CB GLU A 106 4.054 11.553 7.459 1.00 0.00 C ATOM 1448 CG GLU A 106 5.502 11.191 7.177 1.00 0.00 C ATOM 1449 CD GLU A 106 6.463 11.812 8.172 1.00 0.00 C ATOM 1450 OE1 GLU A 106 6.918 12.949 7.927 1.00 0.00 O ATOM 1451 OE2 GLU A 106 6.761 11.162 9.196 1.00 0.00 O ATOM 0 H GLU A 106 3.563 10.351 4.497 1.00 0.00 H new ATOM 0 HA GLU A 106 2.961 9.914 6.599 1.00 0.00 H new ATOM 0 HB2 GLU A 106 3.957 12.638 7.481 1.00 0.00 H new ATOM 0 HB3 GLU A 106 3.784 11.189 8.450 1.00 0.00 H new ATOM 0 HG2 GLU A 106 5.612 10.107 7.199 1.00 0.00 H new ATOM 0 HG3 GLU A 106 5.765 11.518 6.171 1.00 0.00 H new ATOM 1458 N VAL A 107 0.940 11.705 5.521 1.00 0.00 N ATOM 1459 CA VAL A 107 -0.388 12.306 5.553 1.00 0.00 C ATOM 1460 C VAL A 107 -1.423 11.387 4.914 1.00 0.00 C ATOM 1461 O VAL A 107 -1.421 11.180 3.700 1.00 0.00 O ATOM 1462 CB VAL A 107 -0.406 13.664 4.826 1.00 0.00 C ATOM 1463 CG1 VAL A 107 -1.713 14.395 5.092 1.00 0.00 C ATOM 1464 CG2 VAL A 107 0.784 14.511 5.251 1.00 0.00 C ATOM 0 H VAL A 107 1.219 11.347 4.607 1.00 0.00 H new ATOM 0 HA VAL A 107 -0.641 12.459 6.602 1.00 0.00 H new ATOM 0 HB VAL A 107 -0.330 13.484 3.754 1.00 0.00 H new ATOM 0 HG11 VAL A 107 -1.707 15.352 4.570 1.00 0.00 H new ATOM 0 HG12 VAL A 107 -2.547 13.791 4.734 1.00 0.00 H new ATOM 0 HG13 VAL A 107 -1.823 14.566 6.163 1.00 0.00 H new ATOM 0 HG21 VAL A 107 0.756 15.467 4.728 1.00 0.00 H new ATOM 0 HG22 VAL A 107 0.742 14.684 6.326 1.00 0.00 H new ATOM 0 HG23 VAL A 107 1.709 13.989 5.004 1.00 0.00 H new ATOM 1474 N HIS A 108 -2.307 10.836 5.740 1.00 0.00 N ATOM 1475 CA HIS A 108 -3.350 9.939 5.256 1.00 0.00 C ATOM 1476 C HIS A 108 -4.302 10.670 4.315 1.00 0.00 C ATOM 1477 O HIS A 108 -4.996 11.603 4.721 1.00 0.00 O ATOM 1478 CB HIS A 108 -4.129 9.347 6.431 1.00 0.00 C ATOM 1479 CG HIS A 108 -3.567 8.052 6.931 1.00 0.00 C ATOM 1480 ND1 HIS A 108 -4.139 6.828 6.656 1.00 0.00 N ATOM 1481 CD2 HIS A 108 -2.478 7.794 7.692 1.00 0.00 C ATOM 1482 CE1 HIS A 108 -3.426 5.873 7.227 1.00 0.00 C ATOM 1483 NE2 HIS A 108 -2.412 6.433 7.861 1.00 0.00 N ATOM 0 H HIS A 108 -2.322 10.995 6.747 1.00 0.00 H new ATOM 0 HA HIS A 108 -2.872 9.130 4.703 1.00 0.00 H new ATOM 0 HB2 HIS A 108 -4.141 10.068 7.248 1.00 0.00 H new ATOM 0 HB3 HIS A 108 -5.164 9.191 6.128 1.00 0.00 H new ATOM 0 HD2 HIS A 108 -1.789 8.523 8.092 1.00 0.00 H new ATOM 0 HE1 HIS A 108 -3.637 4.815 7.183 1.00 0.00 H new ATOM 0 HE2 HIS A 108 -1.696 5.935 8.390 1.00 0.00 H new ATOM 1492 N ILE A 109 -4.330 10.241 3.058 1.00 0.00 N ATOM 1493 CA ILE A 109 -5.198 10.855 2.061 1.00 0.00 C ATOM 1494 C ILE A 109 -6.668 10.663 2.418 1.00 0.00 C ATOM 1495 O ILE A 109 -7.052 9.693 3.072 1.00 0.00 O ATOM 1496 CB ILE A 109 -4.942 10.274 0.658 1.00 0.00 C ATOM 1497 CG1 ILE A 109 -5.363 8.804 0.606 1.00 0.00 C ATOM 1498 CG2 ILE A 109 -3.475 10.424 0.282 1.00 0.00 C ATOM 1499 CD1 ILE A 109 -5.770 8.341 -0.776 1.00 0.00 C ATOM 0 H ILE A 109 -3.762 9.471 2.706 1.00 0.00 H new ATOM 0 HA ILE A 109 -4.965 11.920 2.053 1.00 0.00 H new ATOM 0 HB ILE A 109 -5.541 10.830 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -4.538 8.185 0.959 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -6.195 8.648 1.292 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -3.310 10.009 -0.712 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -3.205 11.480 0.284 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -2.858 9.891 1.005 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -6.056 7.290 -0.738 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -6.615 8.935 -1.124 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -4.932 8.465 -1.462 1.00 0.00 H new ATOM 1511 N PRO A 110 -7.512 11.607 1.977 1.00 0.00 N ATOM 1512 CA PRO A 110 -8.954 11.563 2.236 1.00 0.00 C ATOM 1513 C PRO A 110 -9.647 10.445 1.465 1.00 0.00 C ATOM 1514 O PRO A 110 -10.197 10.669 0.387 1.00 0.00 O ATOM 1515 CB PRO A 110 -9.444 12.930 1.751 1.00 0.00 C ATOM 1516 CG PRO A 110 -8.441 13.352 0.733 1.00 0.00 C ATOM 1517 CD PRO A 110 -7.124 12.791 1.192 1.00 0.00 C ATOM 0 HA PRO A 110 -9.174 11.364 3.285 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -10.442 12.862 1.319 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -9.500 13.645 2.572 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -8.704 12.973 -0.254 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -8.397 14.438 0.656 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -6.486 12.523 0.350 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -6.570 13.510 1.796 1.00 0.00 H new ATOM 1525 N GLY A 111 -9.619 9.239 2.026 1.00 0.00 N ATOM 1526 CA GLY A 111 -10.248 8.104 1.377 1.00 0.00 C ATOM 1527 C GLY A 111 -9.591 6.789 1.744 1.00 0.00 C ATOM 1528 O GLY A 111 -10.129 5.718 1.461 1.00 0.00 O ATOM 0 H GLY A 111 -9.172 9.029 2.918 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -11.302 8.070 1.653 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -10.206 8.238 0.296 1.00 0.00 H new ATOM 1532 N SER A 112 -8.423 6.868 2.373 1.00 0.00 N ATOM 1533 CA SER A 112 -7.689 5.673 2.775 1.00 0.00 C ATOM 1534 C SER A 112 -7.840 5.420 4.271 1.00 0.00 C ATOM 1535 O SER A 112 -8.090 6.332 5.059 1.00 0.00 O ATOM 1536 CB SER A 112 -6.208 5.816 2.417 1.00 0.00 C ATOM 1537 OG SER A 112 -5.474 6.370 3.495 1.00 0.00 O ATOM 0 H SER A 112 -7.964 7.746 2.615 1.00 0.00 H new ATOM 0 HA SER A 112 -8.106 4.822 2.237 1.00 0.00 H new ATOM 0 HB2 SER A 112 -5.798 4.840 2.157 1.00 0.00 H new ATOM 0 HB3 SER A 112 -6.103 6.451 1.537 1.00 0.00 H new ATOM 0 HG SER A 112 -4.648 6.773 3.155 1.00 0.00 H new ATOM 1543 N PRO A 113 -7.686 4.150 4.674 1.00 0.00 N ATOM 1544 CA PRO A 113 -7.389 3.055 3.745 1.00 0.00 C ATOM 1545 C PRO A 113 -8.570 2.727 2.839 1.00 0.00 C ATOM 1546 O PRO A 113 -9.670 3.250 3.022 1.00 0.00 O ATOM 1547 CB PRO A 113 -7.082 1.876 4.672 1.00 0.00 C ATOM 1548 CG PRO A 113 -7.812 2.186 5.933 1.00 0.00 C ATOM 1549 CD PRO A 113 -7.789 3.684 6.067 1.00 0.00 C ATOM 0 HA PRO A 113 -6.573 3.306 3.068 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -7.420 0.934 4.240 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -6.011 1.779 4.848 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -8.836 1.813 5.893 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -7.333 1.710 6.789 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -8.692 4.058 6.550 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -6.944 4.021 6.667 1.00 0.00 H new ATOM 1557 N PHE A 114 -8.337 1.858 1.861 1.00 0.00 N ATOM 1558 CA PHE A 114 -9.383 1.461 0.926 1.00 0.00 C ATOM 1559 C PHE A 114 -9.699 -0.026 1.063 1.00 0.00 C ATOM 1560 O PHE A 114 -9.013 -0.874 0.490 1.00 0.00 O ATOM 1561 CB PHE A 114 -8.958 1.773 -0.511 1.00 0.00 C ATOM 1562 CG PHE A 114 -9.075 3.227 -0.868 1.00 0.00 C ATOM 1563 CD1 PHE A 114 -8.160 4.149 -0.384 1.00 0.00 C ATOM 1564 CD2 PHE A 114 -10.100 3.673 -1.686 1.00 0.00 C ATOM 1565 CE1 PHE A 114 -8.265 5.488 -0.711 1.00 0.00 C ATOM 1566 CE2 PHE A 114 -10.209 5.010 -2.017 1.00 0.00 C ATOM 1567 CZ PHE A 114 -9.291 5.919 -1.528 1.00 0.00 C ATOM 0 H PHE A 114 -7.433 1.415 1.695 1.00 0.00 H new ATOM 0 HA PHE A 114 -10.282 2.029 1.163 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -7.926 1.454 -0.653 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -9.570 1.188 -1.198 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -7.356 3.817 0.256 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -10.822 2.968 -2.069 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -7.545 6.196 -0.328 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -11.012 5.344 -2.658 1.00 0.00 H new ATOM 0 HZ PHE A 114 -9.376 6.965 -1.784 1.00 0.00 H new ATOM 1577 N LYS A 115 -10.741 -0.335 1.826 1.00 0.00 N ATOM 1578 CA LYS A 115 -11.151 -1.718 2.039 1.00 0.00 C ATOM 1579 C LYS A 115 -11.362 -2.435 0.709 1.00 0.00 C ATOM 1580 O LYS A 115 -12.223 -2.052 -0.082 1.00 0.00 O ATOM 1581 CB LYS A 115 -12.436 -1.769 2.868 1.00 0.00 C ATOM 1582 CG LYS A 115 -12.907 -3.181 3.174 1.00 0.00 C ATOM 1583 CD LYS A 115 -14.375 -3.206 3.565 1.00 0.00 C ATOM 1584 CE LYS A 115 -14.578 -2.754 5.003 1.00 0.00 C ATOM 1585 NZ LYS A 115 -14.454 -3.885 5.963 1.00 0.00 N ATOM 0 H LYS A 115 -11.318 0.354 2.308 1.00 0.00 H new ATOM 0 HA LYS A 115 -10.355 -2.227 2.583 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -12.275 -1.238 3.806 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.225 -1.240 2.333 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -12.751 -3.815 2.301 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -12.307 -3.599 3.982 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -14.942 -2.559 2.896 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -14.768 -4.215 3.441 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -13.844 -1.987 5.249 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.563 -2.298 5.105 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -14.599 -3.536 6.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -15.171 -4.606 5.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -13.506 -4.305 5.885 1.00 0.00 H new ATOM 1599 N ALA A 116 -10.571 -3.476 0.471 1.00 0.00 N ATOM 1600 CA ALA A 116 -10.674 -4.247 -0.761 1.00 0.00 C ATOM 1601 C ALA A 116 -11.105 -5.682 -0.476 1.00 0.00 C ATOM 1602 O ALA A 116 -10.307 -6.502 -0.023 1.00 0.00 O ATOM 1603 CB ALA A 116 -9.348 -4.231 -1.507 1.00 0.00 C ATOM 0 H ALA A 116 -9.852 -3.805 1.115 1.00 0.00 H new ATOM 0 HA ALA A 116 -11.436 -3.783 -1.387 1.00 0.00 H new ATOM 0 HB1 ALA A 116 -9.440 -4.811 -2.425 1.00 0.00 H new ATOM 0 HB2 ALA A 116 -9.081 -3.203 -1.752 1.00 0.00 H new ATOM 0 HB3 ALA A 116 -8.572 -4.667 -0.879 1.00 0.00 H new ATOM 1609 N ASP A 117 -12.372 -5.978 -0.745 1.00 0.00 N ATOM 1610 CA ASP A 117 -12.910 -7.315 -0.518 1.00 0.00 C ATOM 1611 C ASP A 117 -12.446 -8.279 -1.605 1.00 0.00 C ATOM 1612 O ASP A 117 -12.821 -8.142 -2.770 1.00 0.00 O ATOM 1613 CB ASP A 117 -14.438 -7.273 -0.473 1.00 0.00 C ATOM 1614 CG ASP A 117 -14.966 -6.849 0.883 1.00 0.00 C ATOM 1615 OD1 ASP A 117 -14.806 -5.662 1.238 1.00 0.00 O ATOM 1616 OD2 ASP A 117 -15.541 -7.703 1.589 1.00 0.00 O ATOM 0 H ASP A 117 -13.046 -5.310 -1.120 1.00 0.00 H new ATOM 0 HA ASP A 117 -12.537 -7.672 0.442 1.00 0.00 H new ATOM 0 HB2 ASP A 117 -14.802 -6.582 -1.234 1.00 0.00 H new ATOM 0 HB3 ASP A 117 -14.833 -8.258 -0.722 1.00 0.00 H new ATOM 1621 N ILE A 118 -11.629 -9.252 -1.217 1.00 0.00 N ATOM 1622 CA ILE A 118 -11.115 -10.238 -2.159 1.00 0.00 C ATOM 1623 C ILE A 118 -12.015 -11.468 -2.213 1.00 0.00 C ATOM 1624 O ILE A 118 -12.579 -11.882 -1.201 1.00 0.00 O ATOM 1625 CB ILE A 118 -9.686 -10.678 -1.790 1.00 0.00 C ATOM 1626 CG1 ILE A 118 -8.725 -9.491 -1.876 1.00 0.00 C ATOM 1627 CG2 ILE A 118 -9.226 -11.806 -2.702 1.00 0.00 C ATOM 1628 CD1 ILE A 118 -8.624 -8.895 -3.263 1.00 0.00 C ATOM 0 H ILE A 118 -11.309 -9.379 -0.257 1.00 0.00 H new ATOM 0 HA ILE A 118 -11.098 -9.760 -3.138 1.00 0.00 H new ATOM 0 HB ILE A 118 -9.689 -11.045 -0.764 1.00 0.00 H new ATOM 0 HG12 ILE A 118 -9.052 -8.718 -1.180 1.00 0.00 H new ATOM 0 HG13 ILE A 118 -7.734 -9.812 -1.554 1.00 0.00 H new ATOM 0 HG21 ILE A 118 -8.214 -12.106 -2.428 1.00 0.00 H new ATOM 0 HG22 ILE A 118 -9.898 -12.657 -2.595 1.00 0.00 H new ATOM 0 HG23 ILE A 118 -9.236 -11.464 -3.737 1.00 0.00 H new ATOM 0 HD11 ILE A 118 -7.926 -8.058 -3.249 1.00 0.00 H new ATOM 0 HD12 ILE A 118 -8.268 -9.654 -3.960 1.00 0.00 H new ATOM 0 HD13 ILE A 118 -9.606 -8.543 -3.580 1.00 0.00 H new ATOM 1640 N GLU A 119 -12.144 -12.049 -3.402 1.00 0.00 N ATOM 1641 CA GLU A 119 -12.975 -13.232 -3.588 1.00 0.00 C ATOM 1642 C GLU A 119 -12.194 -14.341 -4.287 1.00 0.00 C ATOM 1643 O GLU A 119 -11.231 -14.078 -5.007 1.00 0.00 O ATOM 1644 CB GLU A 119 -14.224 -12.883 -4.400 1.00 0.00 C ATOM 1645 CG GLU A 119 -15.037 -11.745 -3.806 1.00 0.00 C ATOM 1646 CD GLU A 119 -15.862 -12.179 -2.610 1.00 0.00 C ATOM 1647 OE1 GLU A 119 -16.458 -13.274 -2.666 1.00 0.00 O ATOM 1648 OE2 GLU A 119 -15.911 -11.421 -1.618 1.00 0.00 O ATOM 0 H GLU A 119 -11.684 -11.719 -4.250 1.00 0.00 H new ATOM 0 HA GLU A 119 -13.279 -13.590 -2.604 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -13.925 -12.615 -5.413 1.00 0.00 H new ATOM 0 HB3 GLU A 119 -14.856 -13.768 -4.478 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -14.365 -10.941 -3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 119 -15.699 -11.339 -4.571 1.00 0.00 H new ATOM 1655 N MET A 120 -12.617 -15.582 -4.070 1.00 0.00 N ATOM 1656 CA MET A 120 -11.958 -16.732 -4.680 1.00 0.00 C ATOM 1657 C MET A 120 -12.363 -16.877 -6.143 1.00 0.00 C ATOM 1658 O MET A 120 -13.534 -16.761 -6.503 1.00 0.00 O ATOM 1659 CB MET A 120 -12.304 -18.010 -3.914 1.00 0.00 C ATOM 1660 CG MET A 120 -11.517 -18.177 -2.624 1.00 0.00 C ATOM 1661 SD MET A 120 -11.266 -19.907 -2.182 1.00 0.00 S ATOM 1662 CE MET A 120 -9.743 -19.799 -1.245 1.00 0.00 C ATOM 0 H MET A 120 -13.413 -15.817 -3.477 1.00 0.00 H new ATOM 0 HA MET A 120 -10.881 -16.569 -4.634 1.00 0.00 H new ATOM 0 HB2 MET A 120 -13.369 -18.008 -3.683 1.00 0.00 H new ATOM 0 HB3 MET A 120 -12.119 -18.871 -4.557 1.00 0.00 H new ATOM 0 HG2 MET A 120 -10.548 -17.689 -2.728 1.00 0.00 H new ATOM 0 HG3 MET A 120 -12.043 -17.672 -1.814 1.00 0.00 H new ATOM 0 HE1 MET A 120 -9.174 -20.721 -1.368 1.00 0.00 H new ATOM 0 HE2 MET A 120 -9.152 -18.957 -1.607 1.00 0.00 H new ATOM 0 HE3 MET A 120 -9.975 -19.653 -0.190 1.00 0.00 H new ATOM 1672 N PRO A 121 -11.372 -17.136 -7.009 1.00 0.00 N ATOM 1673 CA PRO A 121 -11.601 -17.302 -8.447 1.00 0.00 C ATOM 1674 C PRO A 121 -12.351 -18.590 -8.770 1.00 0.00 C ATOM 1675 O PRO A 121 -12.167 -19.610 -8.105 1.00 0.00 O ATOM 1676 CB PRO A 121 -10.185 -17.348 -9.029 1.00 0.00 C ATOM 1677 CG PRO A 121 -9.331 -17.830 -7.908 1.00 0.00 C ATOM 1678 CD PRO A 121 -9.951 -17.286 -6.651 1.00 0.00 C ATOM 0 HA PRO A 121 -12.219 -16.503 -8.856 1.00 0.00 H new ATOM 0 HB2 PRO A 121 -10.131 -18.020 -9.886 1.00 0.00 H new ATOM 0 HB3 PRO A 121 -9.867 -16.364 -9.375 1.00 0.00 H new ATOM 0 HG2 PRO A 121 -9.295 -18.919 -7.885 1.00 0.00 H new ATOM 0 HG3 PRO A 121 -8.305 -17.479 -8.020 1.00 0.00 H new ATOM 0 HD2 PRO A 121 -9.818 -17.967 -5.810 1.00 0.00 H new ATOM 0 HD3 PRO A 121 -9.506 -16.333 -6.363 1.00 0.00 H new