USER MOD reduce.3.24.130724 H: found=0, std=0, add=679, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 679 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 59 TYR OH : rot 180:sc= -0.0712 USER MOD Set 1.2: A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 ASN : amide:sc= -0.0141 X(o=-0.014,f=-0.064) USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 THR OG1 : rot 90:sc= 1.24 USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -0.842 K(o=-0.84,f=-3.9!) USER MOD Single : A 44 LYS NZ :NH3+ 147:sc= -0.234 (180deg=-1.55) USER MOD Single : A 46 LYS NZ :NH3+ -150:sc= 0.049 (180deg=0) USER MOD Single : A 49 CYS SG : rot 62:sc= -1.79 USER MOD Single : A 50 GLN : amide:sc= -0.0324 K(o=-0.032,f=-3.1!) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 68 ASN : amide:sc= 0 K(o=0,f=-0.51) USER MOD Single : A 70 CYS SG : rot -6:sc= -1.02 USER MOD Single : A 71 HIS : no HD1:sc= -3.71! C(o=-3.7!,f=-4.1!) USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.706 F(o=-1.8,f=-0.71) USER MOD Single : A 80 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 ASN : amide:sc= -0.0425 K(o=-0.043,f=-1.6!) USER MOD Single : A 91 LYS NZ :NH3+ -131:sc= 0.795 (180deg=-0.0088) USER MOD Single : A 92 THR OG1 : rot 180:sc= 0 USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot -1:sc= -0.316 USER MOD Single : A 104 TYR OH : rot 180:sc= 0 USER MOD Single : A 106 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 LYS NZ :NH3+ -171:sc=-0.00338 (180deg=-0.0998) USER MOD ----------------------------------------------------------------- ATOM 358 N PRO A 29 -13.811 5.996 -0.852 1.00 0.00 N ATOM 359 CA PRO A 29 -13.068 4.934 -1.539 1.00 0.00 C ATOM 360 C PRO A 29 -13.436 4.831 -3.015 1.00 0.00 C ATOM 361 O PRO A 29 -14.332 5.529 -3.492 1.00 0.00 O ATOM 362 CB PRO A 29 -13.491 3.666 -0.792 1.00 0.00 C ATOM 363 CG PRO A 29 -14.829 3.990 -0.223 1.00 0.00 C ATOM 364 CD PRO A 29 -14.797 5.459 0.100 1.00 0.00 C ATOM 0 HA PRO A 29 -11.993 5.114 -1.526 1.00 0.00 H new ATOM 0 HB2 PRO A 29 -13.544 2.810 -1.464 1.00 0.00 H new ATOM 0 HB3 PRO A 29 -12.778 3.412 -0.007 1.00 0.00 H new ATOM 0 HG2 PRO A 29 -15.622 3.764 -0.937 1.00 0.00 H new ATOM 0 HG3 PRO A 29 -15.027 3.398 0.671 1.00 0.00 H new ATOM 0 HD2 PRO A 29 -15.776 5.921 -0.032 1.00 0.00 H new ATOM 0 HD3 PRO A 29 -14.497 5.637 1.133 1.00 0.00 H new ATOM 372 N LEU A 30 -12.741 3.957 -3.733 1.00 0.00 N ATOM 373 CA LEU A 30 -12.995 3.761 -5.156 1.00 0.00 C ATOM 374 C LEU A 30 -14.257 2.933 -5.376 1.00 0.00 C ATOM 375 O LEU A 30 -14.385 1.828 -4.850 1.00 0.00 O ATOM 376 CB LEU A 30 -11.799 3.075 -5.819 1.00 0.00 C ATOM 377 CG LEU A 30 -11.590 3.376 -7.303 1.00 0.00 C ATOM 378 CD1 LEU A 30 -10.132 3.175 -7.688 1.00 0.00 C ATOM 379 CD2 LEU A 30 -12.495 2.501 -8.158 1.00 0.00 C ATOM 0 H LEU A 30 -11.997 3.372 -3.353 1.00 0.00 H new ATOM 0 HA LEU A 30 -13.142 4.741 -5.611 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -10.896 3.362 -5.280 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -11.912 1.997 -5.700 1.00 0.00 H new ATOM 0 HG LEU A 30 -11.852 4.419 -7.483 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -10.002 3.394 -8.748 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -9.505 3.845 -7.100 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -9.843 2.142 -7.493 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -12.332 2.729 -9.211 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -12.265 1.451 -7.975 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -13.537 2.695 -7.901 1.00 0.00 H new ATOM 391 N ASN A 31 -15.185 3.474 -6.158 1.00 0.00 N ATOM 392 CA ASN A 31 -16.437 2.784 -6.448 1.00 0.00 C ATOM 393 C ASN A 31 -16.186 1.529 -7.278 1.00 0.00 C ATOM 394 O ASN A 31 -16.315 1.545 -8.503 1.00 0.00 O ATOM 395 CB ASN A 31 -17.397 3.716 -7.190 1.00 0.00 C ATOM 396 CG ASN A 31 -17.651 5.006 -6.433 1.00 0.00 C ATOM 397 OD1 ASN A 31 -16.964 6.006 -6.641 1.00 0.00 O ATOM 398 ND2 ASN A 31 -18.642 4.988 -5.550 1.00 0.00 N ATOM 0 H ASN A 31 -15.094 4.388 -6.602 1.00 0.00 H new ATOM 0 HA ASN A 31 -16.888 2.488 -5.501 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -16.986 3.949 -8.172 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -18.344 3.202 -7.354 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -18.860 5.826 -5.011 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -19.185 4.136 -5.410 1.00 0.00 H new ATOM 405 N LEU A 32 -15.827 0.442 -6.604 1.00 0.00 N ATOM 406 CA LEU A 32 -15.559 -0.823 -7.279 1.00 0.00 C ATOM 407 C LEU A 32 -16.755 -1.256 -8.121 1.00 0.00 C ATOM 408 O LEU A 32 -16.625 -1.513 -9.318 1.00 0.00 O ATOM 409 CB LEU A 32 -15.222 -1.908 -6.254 1.00 0.00 C ATOM 410 CG LEU A 32 -14.164 -1.543 -5.213 1.00 0.00 C ATOM 411 CD1 LEU A 32 -14.059 -2.630 -4.155 1.00 0.00 C ATOM 412 CD2 LEU A 32 -12.815 -1.315 -5.881 1.00 0.00 C ATOM 0 H LEU A 32 -15.715 0.411 -5.591 1.00 0.00 H new ATOM 0 HA LEU A 32 -14.706 -0.680 -7.942 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -16.138 -2.182 -5.731 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -14.884 -2.794 -6.791 1.00 0.00 H new ATOM 0 HG LEU A 32 -14.467 -0.617 -4.725 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.301 -2.353 -3.422 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -15.021 -2.746 -3.656 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -13.780 -3.572 -4.627 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -12.074 -1.056 -5.125 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -12.506 -2.225 -6.396 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -12.898 -0.501 -6.601 1.00 0.00 H new ATOM 424 N THR A 33 -17.921 -1.332 -7.487 1.00 0.00 N ATOM 425 CA THR A 33 -19.141 -1.732 -8.178 1.00 0.00 C ATOM 426 C THR A 33 -19.204 -1.129 -9.576 1.00 0.00 C ATOM 427 O THR A 33 -19.381 0.078 -9.735 1.00 0.00 O ATOM 428 CB THR A 33 -20.396 -1.310 -7.391 1.00 0.00 C ATOM 429 OG1 THR A 33 -21.569 -1.546 -8.177 1.00 0.00 O ATOM 430 CG2 THR A 33 -20.324 0.161 -7.007 1.00 0.00 C ATOM 0 H THR A 33 -18.046 -1.122 -6.497 1.00 0.00 H new ATOM 0 HA THR A 33 -19.119 -2.819 -8.256 1.00 0.00 H new ATOM 0 HB THR A 33 -20.444 -1.906 -6.479 1.00 0.00 H new ATOM 0 HG1 THR A 33 -22.363 -1.277 -7.669 1.00 0.00 H new ATOM 0 HG21 THR A 33 -21.221 0.437 -6.452 1.00 0.00 H new ATOM 0 HG22 THR A 33 -19.445 0.332 -6.385 1.00 0.00 H new ATOM 0 HG23 THR A 33 -20.254 0.769 -7.909 1.00 0.00 H new ATOM 438 N GLY A 34 -19.060 -1.978 -10.589 1.00 0.00 N ATOM 439 CA GLY A 34 -19.104 -1.510 -11.962 1.00 0.00 C ATOM 440 C GLY A 34 -17.821 -1.799 -12.715 1.00 0.00 C ATOM 441 O GLY A 34 -17.850 -2.336 -13.823 1.00 0.00 O ATOM 0 H GLY A 34 -18.914 -2.982 -10.483 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -19.939 -1.985 -12.478 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -19.293 -0.436 -11.971 1.00 0.00 H new ATOM 445 N LEU A 35 -16.691 -1.441 -12.115 1.00 0.00 N ATOM 446 CA LEU A 35 -15.390 -1.663 -12.737 1.00 0.00 C ATOM 447 C LEU A 35 -15.198 -3.136 -13.084 1.00 0.00 C ATOM 448 O LEU A 35 -15.620 -4.032 -12.353 1.00 0.00 O ATOM 449 CB LEU A 35 -14.271 -1.197 -11.805 1.00 0.00 C ATOM 450 CG LEU A 35 -13.990 0.306 -11.793 1.00 0.00 C ATOM 451 CD1 LEU A 35 -13.250 0.701 -10.524 1.00 0.00 C ATOM 452 CD2 LEU A 35 -13.193 0.709 -13.025 1.00 0.00 C ATOM 0 H LEU A 35 -16.649 -0.996 -11.198 1.00 0.00 H new ATOM 0 HA LEU A 35 -15.351 -1.083 -13.659 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -14.518 -1.508 -10.790 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.354 -1.716 -12.084 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.943 0.835 -11.812 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -13.059 1.774 -10.533 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -13.857 0.448 -9.655 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.303 0.164 -10.473 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -13.002 1.782 -13.000 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -12.245 0.172 -13.037 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -13.761 0.462 -13.922 1.00 0.00 H new ATOM 464 N PRO A 36 -14.543 -3.394 -14.226 1.00 0.00 N ATOM 465 CA PRO A 36 -14.277 -4.757 -14.695 1.00 0.00 C ATOM 466 C PRO A 36 -13.250 -5.478 -13.828 1.00 0.00 C ATOM 467 O PRO A 36 -12.246 -4.894 -13.422 1.00 0.00 O ATOM 468 CB PRO A 36 -13.730 -4.546 -16.109 1.00 0.00 C ATOM 469 CG PRO A 36 -13.153 -3.172 -16.090 1.00 0.00 C ATOM 470 CD PRO A 36 -14.012 -2.375 -15.147 1.00 0.00 C ATOM 0 HA PRO A 36 -15.169 -5.382 -14.658 1.00 0.00 H new ATOM 0 HB2 PRO A 36 -12.973 -5.290 -16.356 1.00 0.00 H new ATOM 0 HB3 PRO A 36 -14.519 -4.634 -16.856 1.00 0.00 H new ATOM 0 HG2 PRO A 36 -12.116 -3.189 -15.754 1.00 0.00 H new ATOM 0 HG3 PRO A 36 -13.158 -2.733 -17.088 1.00 0.00 H new ATOM 0 HD2 PRO A 36 -13.433 -1.618 -14.618 1.00 0.00 H new ATOM 0 HD3 PRO A 36 -14.811 -1.854 -15.674 1.00 0.00 H new ATOM 478 N GLY A 37 -13.508 -6.752 -13.549 1.00 0.00 N ATOM 479 CA GLY A 37 -12.596 -7.532 -12.732 1.00 0.00 C ATOM 480 C GLY A 37 -12.997 -7.550 -11.271 1.00 0.00 C ATOM 481 O GLY A 37 -12.356 -8.208 -10.451 1.00 0.00 O ATOM 0 H GLY A 37 -14.332 -7.258 -13.874 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -12.560 -8.554 -13.108 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -11.590 -7.123 -12.824 1.00 0.00 H new ATOM 485 N THR A 38 -14.061 -6.824 -10.942 1.00 0.00 N ATOM 486 CA THR A 38 -14.546 -6.757 -9.569 1.00 0.00 C ATOM 487 C THR A 38 -15.101 -8.102 -9.115 1.00 0.00 C ATOM 488 O THR A 38 -15.303 -8.329 -7.923 1.00 0.00 O ATOM 489 CB THR A 38 -15.639 -5.683 -9.411 1.00 0.00 C ATOM 490 OG1 THR A 38 -15.113 -4.395 -9.745 1.00 0.00 O ATOM 491 CG2 THR A 38 -16.177 -5.664 -7.988 1.00 0.00 C ATOM 0 H THR A 38 -14.603 -6.274 -11.608 1.00 0.00 H new ATOM 0 HA THR A 38 -13.693 -6.491 -8.945 1.00 0.00 H new ATOM 0 HB THR A 38 -16.457 -5.927 -10.089 1.00 0.00 H new ATOM 0 HG1 THR A 38 -15.244 -4.226 -10.702 1.00 0.00 H new ATOM 0 HG21 THR A 38 -16.947 -4.898 -7.900 1.00 0.00 H new ATOM 0 HG22 THR A 38 -16.604 -6.637 -7.748 1.00 0.00 H new ATOM 0 HG23 THR A 38 -15.365 -5.443 -7.295 1.00 0.00 H new ATOM 499 N GLU A 39 -15.344 -8.990 -10.074 1.00 0.00 N ATOM 500 CA GLU A 39 -15.876 -10.314 -9.771 1.00 0.00 C ATOM 501 C GLU A 39 -14.755 -11.347 -9.695 1.00 0.00 C ATOM 502 O GLU A 39 -14.871 -12.356 -8.999 1.00 0.00 O ATOM 503 CB GLU A 39 -16.898 -10.732 -10.830 1.00 0.00 C ATOM 504 CG GLU A 39 -16.270 -11.270 -12.104 1.00 0.00 C ATOM 505 CD GLU A 39 -17.301 -11.649 -13.148 1.00 0.00 C ATOM 506 OE1 GLU A 39 -17.855 -10.735 -13.794 1.00 0.00 O ATOM 507 OE2 GLU A 39 -17.555 -12.860 -13.321 1.00 0.00 O ATOM 0 H GLU A 39 -15.181 -8.817 -11.066 1.00 0.00 H new ATOM 0 HA GLU A 39 -16.369 -10.266 -8.800 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -17.554 -11.494 -10.409 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.523 -9.874 -11.078 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -15.598 -10.519 -12.519 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -15.663 -12.143 -11.865 1.00 0.00 H new ATOM 514 N LYS A 40 -13.670 -11.087 -10.416 1.00 0.00 N ATOM 515 CA LYS A 40 -12.526 -11.992 -10.432 1.00 0.00 C ATOM 516 C LYS A 40 -11.917 -12.122 -9.039 1.00 0.00 C ATOM 517 O LYS A 40 -11.813 -13.223 -8.497 1.00 0.00 O ATOM 518 CB LYS A 40 -11.468 -11.493 -11.418 1.00 0.00 C ATOM 519 CG LYS A 40 -11.931 -11.508 -12.865 1.00 0.00 C ATOM 520 CD LYS A 40 -10.804 -11.137 -13.815 1.00 0.00 C ATOM 521 CE LYS A 40 -11.017 -11.739 -15.195 1.00 0.00 C ATOM 522 NZ LYS A 40 -11.827 -10.848 -16.070 1.00 0.00 N ATOM 0 H LYS A 40 -13.558 -10.256 -10.998 1.00 0.00 H new ATOM 0 HA LYS A 40 -12.875 -12.974 -10.751 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -11.182 -10.477 -11.147 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -10.575 -12.112 -11.324 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -12.309 -12.499 -13.117 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -12.759 -10.810 -12.990 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -10.738 -10.052 -13.897 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -9.854 -11.485 -13.408 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -10.050 -11.926 -15.663 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -11.516 -12.703 -15.097 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -11.950 -11.294 -17.001 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -12.759 -10.690 -15.637 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -11.339 -9.937 -16.184 1.00 0.00 H new ATOM 536 N LEU A 41 -11.516 -10.993 -8.466 1.00 0.00 N ATOM 537 CA LEU A 41 -10.919 -10.981 -7.135 1.00 0.00 C ATOM 538 C LEU A 41 -11.992 -11.064 -6.055 1.00 0.00 C ATOM 539 O LEU A 41 -13.185 -11.112 -6.354 1.00 0.00 O ATOM 540 CB LEU A 41 -10.081 -9.715 -6.942 1.00 0.00 C ATOM 541 CG LEU A 41 -10.666 -8.428 -7.525 1.00 0.00 C ATOM 542 CD1 LEU A 41 -12.093 -8.223 -7.040 1.00 0.00 C ATOM 543 CD2 LEU A 41 -9.799 -7.234 -7.157 1.00 0.00 C ATOM 0 H LEU A 41 -11.593 -10.074 -8.902 1.00 0.00 H new ATOM 0 HA LEU A 41 -10.273 -11.854 -7.046 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -9.923 -9.567 -5.874 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -9.101 -9.880 -7.389 1.00 0.00 H new ATOM 0 HG LEU A 41 -10.683 -8.518 -8.611 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -12.493 -7.302 -7.465 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -12.709 -9.066 -7.355 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -12.101 -8.154 -5.952 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -10.230 -6.327 -7.580 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -9.750 -7.141 -6.072 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -8.794 -7.378 -7.555 1.00 0.00 H new ATOM 555 N ASN A 42 -11.560 -11.077 -4.798 1.00 0.00 N ATOM 556 CA ASN A 42 -12.485 -11.152 -3.673 1.00 0.00 C ATOM 557 C ASN A 42 -12.315 -9.950 -2.748 1.00 0.00 C ATOM 558 O ASN A 42 -11.392 -9.154 -2.913 1.00 0.00 O ATOM 559 CB ASN A 42 -12.263 -12.448 -2.889 1.00 0.00 C ATOM 560 CG ASN A 42 -12.235 -13.669 -3.788 1.00 0.00 C ATOM 561 OD1 ASN A 42 -12.625 -13.605 -4.954 1.00 0.00 O ATOM 562 ND2 ASN A 42 -11.773 -14.791 -3.247 1.00 0.00 N ATOM 0 H ASN A 42 -10.576 -11.037 -4.533 1.00 0.00 H new ATOM 0 HA ASN A 42 -13.501 -11.143 -4.068 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -11.323 -12.382 -2.341 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -13.056 -12.563 -2.149 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -11.731 -15.645 -3.802 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -11.460 -14.798 -2.276 1.00 0.00 H new ATOM 569 N GLU A 43 -13.213 -9.828 -1.776 1.00 0.00 N ATOM 570 CA GLU A 43 -13.163 -8.723 -0.826 1.00 0.00 C ATOM 571 C GLU A 43 -11.722 -8.413 -0.427 1.00 0.00 C ATOM 572 O GLU A 43 -11.316 -7.252 -0.376 1.00 0.00 O ATOM 573 CB GLU A 43 -13.988 -9.054 0.420 1.00 0.00 C ATOM 574 CG GLU A 43 -13.400 -10.175 1.259 1.00 0.00 C ATOM 575 CD GLU A 43 -14.408 -10.776 2.219 1.00 0.00 C ATOM 576 OE1 GLU A 43 -15.450 -11.278 1.747 1.00 0.00 O ATOM 577 OE2 GLU A 43 -14.157 -10.744 3.442 1.00 0.00 O ATOM 0 H GLU A 43 -13.983 -10.480 -1.626 1.00 0.00 H new ATOM 0 HA GLU A 43 -13.586 -7.843 -1.310 1.00 0.00 H new ATOM 0 HB2 GLU A 43 -14.076 -8.159 1.035 1.00 0.00 H new ATOM 0 HB3 GLU A 43 -14.997 -9.331 0.114 1.00 0.00 H new ATOM 0 HG2 GLU A 43 -13.021 -10.956 0.600 1.00 0.00 H new ATOM 0 HG3 GLU A 43 -12.549 -9.793 1.823 1.00 0.00 H new ATOM 584 N LYS A 44 -10.954 -9.460 -0.146 1.00 0.00 N ATOM 585 CA LYS A 44 -9.559 -9.303 0.247 1.00 0.00 C ATOM 586 C LYS A 44 -8.866 -8.253 -0.615 1.00 0.00 C ATOM 587 O LYS A 44 -8.503 -7.181 -0.132 1.00 0.00 O ATOM 588 CB LYS A 44 -8.822 -10.640 0.133 1.00 0.00 C ATOM 589 CG LYS A 44 -8.905 -11.489 1.390 1.00 0.00 C ATOM 590 CD LYS A 44 -7.676 -12.369 1.550 1.00 0.00 C ATOM 591 CE LYS A 44 -7.786 -13.635 0.714 1.00 0.00 C ATOM 592 NZ LYS A 44 -7.606 -13.358 -0.738 1.00 0.00 N ATOM 0 H LYS A 44 -11.275 -10.428 -0.183 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.535 -8.969 1.284 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -9.235 -11.203 -0.704 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -7.774 -10.449 -0.098 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.006 -10.842 2.261 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.798 -12.113 1.351 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -6.787 -11.812 1.254 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -7.551 -12.634 2.600 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -7.035 -14.354 1.042 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -8.761 -14.095 0.878 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -7.142 -14.171 -1.192 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -8.534 -13.199 -1.179 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -7.015 -12.511 -0.859 1.00 0.00 H new ATOM 606 N GLU A 45 -8.687 -8.569 -1.894 1.00 0.00 N ATOM 607 CA GLU A 45 -8.037 -7.651 -2.823 1.00 0.00 C ATOM 608 C GLU A 45 -8.838 -6.359 -2.960 1.00 0.00 C ATOM 609 O GLU A 45 -8.273 -5.266 -2.997 1.00 0.00 O ATOM 610 CB GLU A 45 -7.872 -8.309 -4.194 1.00 0.00 C ATOM 611 CG GLU A 45 -7.191 -9.667 -4.139 1.00 0.00 C ATOM 612 CD GLU A 45 -7.648 -10.594 -5.249 1.00 0.00 C ATOM 613 OE1 GLU A 45 -7.214 -10.397 -6.403 1.00 0.00 O ATOM 614 OE2 GLU A 45 -8.440 -11.516 -4.962 1.00 0.00 O ATOM 0 H GLU A 45 -8.982 -9.452 -2.310 1.00 0.00 H new ATOM 0 HA GLU A 45 -7.052 -7.408 -2.424 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -8.854 -8.422 -4.654 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -7.293 -7.647 -4.838 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -6.112 -9.531 -4.206 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -7.395 -10.133 -3.175 1.00 0.00 H new ATOM 621 N LYS A 46 -10.158 -6.493 -3.036 1.00 0.00 N ATOM 622 CA LYS A 46 -11.038 -5.338 -3.169 1.00 0.00 C ATOM 623 C LYS A 46 -10.685 -4.264 -2.145 1.00 0.00 C ATOM 624 O LYS A 46 -10.730 -3.072 -2.443 1.00 0.00 O ATOM 625 CB LYS A 46 -12.499 -5.762 -2.996 1.00 0.00 C ATOM 626 CG LYS A 46 -12.989 -6.710 -4.077 1.00 0.00 C ATOM 627 CD LYS A 46 -14.407 -7.182 -3.804 1.00 0.00 C ATOM 628 CE LYS A 46 -15.199 -7.340 -5.093 1.00 0.00 C ATOM 629 NZ LYS A 46 -16.172 -8.465 -5.011 1.00 0.00 N ATOM 0 H LYS A 46 -10.642 -7.390 -3.008 1.00 0.00 H new ATOM 0 HA LYS A 46 -10.902 -4.922 -4.167 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -12.617 -6.241 -2.024 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -13.129 -4.872 -2.992 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -12.951 -6.210 -5.045 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -12.323 -7.571 -4.136 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -14.379 -8.134 -3.274 1.00 0.00 H new ATOM 0 HD3 LYS A 46 -14.910 -6.468 -3.152 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -15.732 -6.414 -5.308 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -14.513 -7.513 -5.922 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -16.312 -8.873 -5.957 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 -15.804 -9.196 -4.370 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 -17.081 -8.112 -4.648 1.00 0.00 H new ATOM 643 N GLU A 47 -10.333 -4.697 -0.938 1.00 0.00 N ATOM 644 CA GLU A 47 -9.972 -3.771 0.129 1.00 0.00 C ATOM 645 C GLU A 47 -8.830 -2.858 -0.307 1.00 0.00 C ATOM 646 O GLU A 47 -8.812 -1.669 0.016 1.00 0.00 O ATOM 647 CB GLU A 47 -9.572 -4.541 1.389 1.00 0.00 C ATOM 648 CG GLU A 47 -8.712 -3.735 2.348 1.00 0.00 C ATOM 649 CD GLU A 47 -8.903 -4.150 3.794 1.00 0.00 C ATOM 650 OE1 GLU A 47 -10.038 -4.525 4.157 1.00 0.00 O ATOM 651 OE2 GLU A 47 -7.920 -4.100 4.561 1.00 0.00 O ATOM 0 H GLU A 47 -10.290 -5.682 -0.675 1.00 0.00 H new ATOM 0 HA GLU A 47 -10.843 -3.154 0.351 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -10.474 -4.865 1.908 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -9.031 -5.441 1.098 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -7.663 -3.853 2.076 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -8.952 -2.677 2.243 1.00 0.00 H new ATOM 658 N LEU A 48 -7.877 -3.421 -1.041 1.00 0.00 N ATOM 659 CA LEU A 48 -6.730 -2.659 -1.522 1.00 0.00 C ATOM 660 C LEU A 48 -7.145 -1.683 -2.618 1.00 0.00 C ATOM 661 O LEU A 48 -6.610 -0.578 -2.713 1.00 0.00 O ATOM 662 CB LEU A 48 -5.649 -3.605 -2.048 1.00 0.00 C ATOM 663 CG LEU A 48 -4.698 -4.186 -1.001 1.00 0.00 C ATOM 664 CD1 LEU A 48 -3.857 -5.301 -1.603 1.00 0.00 C ATOM 665 CD2 LEU A 48 -3.806 -3.095 -0.426 1.00 0.00 C ATOM 0 H LEU A 48 -7.876 -4.403 -1.316 1.00 0.00 H new ATOM 0 HA LEU A 48 -6.328 -2.087 -0.685 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -6.138 -4.431 -2.564 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -5.057 -3.071 -2.791 1.00 0.00 H new ATOM 0 HG LEU A 48 -5.294 -4.605 -0.191 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -3.187 -5.702 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -4.511 -6.094 -1.965 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -3.270 -4.907 -2.433 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -3.136 -3.527 0.317 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -3.218 -2.646 -1.227 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -4.424 -2.330 0.044 1.00 0.00 H new ATOM 677 N CYS A 49 -8.101 -2.098 -3.441 1.00 0.00 N ATOM 678 CA CYS A 49 -8.590 -1.259 -4.530 1.00 0.00 C ATOM 679 C CYS A 49 -9.218 0.021 -3.990 1.00 0.00 C ATOM 680 O CYS A 49 -9.148 1.073 -4.625 1.00 0.00 O ATOM 681 CB CYS A 49 -9.609 -2.026 -5.374 1.00 0.00 C ATOM 682 SG CYS A 49 -8.992 -3.592 -6.033 1.00 0.00 S ATOM 0 H CYS A 49 -8.553 -3.010 -3.375 1.00 0.00 H new ATOM 0 HA CYS A 49 -7.741 -0.988 -5.157 1.00 0.00 H new ATOM 0 HB2 CYS A 49 -10.493 -2.223 -4.767 1.00 0.00 H new ATOM 0 HB3 CYS A 49 -9.926 -1.395 -6.204 1.00 0.00 H new ATOM 0 HG CYS A 49 -8.680 -4.384 -5.050 1.00 0.00 H new ATOM 688 N GLN A 50 -9.834 -0.077 -2.816 1.00 0.00 N ATOM 689 CA GLN A 50 -10.478 1.073 -2.193 1.00 0.00 C ATOM 690 C GLN A 50 -9.456 1.938 -1.461 1.00 0.00 C ATOM 691 O GLN A 50 -9.261 3.106 -1.799 1.00 0.00 O ATOM 692 CB GLN A 50 -11.563 0.611 -1.219 1.00 0.00 C ATOM 693 CG GLN A 50 -12.546 -0.375 -1.828 1.00 0.00 C ATOM 694 CD GLN A 50 -13.860 -0.431 -1.073 1.00 0.00 C ATOM 695 OE1 GLN A 50 -14.552 0.577 -0.932 1.00 0.00 O ATOM 696 NE2 GLN A 50 -14.211 -1.614 -0.582 1.00 0.00 N ATOM 0 H GLN A 50 -9.900 -0.941 -2.278 1.00 0.00 H new ATOM 0 HA GLN A 50 -10.937 1.671 -2.980 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -11.089 0.151 -0.352 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -12.111 1.482 -0.858 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -12.738 -0.097 -2.864 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -12.097 -1.368 -1.842 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -13.607 -2.424 -0.722 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.084 -1.713 -0.065 1.00 0.00 H new ATOM 705 N VAL A 51 -8.807 1.357 -0.458 1.00 0.00 N ATOM 706 CA VAL A 51 -7.805 2.075 0.322 1.00 0.00 C ATOM 707 C VAL A 51 -6.741 2.688 -0.583 1.00 0.00 C ATOM 708 O VAL A 51 -6.433 3.875 -0.479 1.00 0.00 O ATOM 709 CB VAL A 51 -7.121 1.149 1.345 1.00 0.00 C ATOM 710 CG1 VAL A 51 -6.015 1.890 2.081 1.00 0.00 C ATOM 711 CG2 VAL A 51 -8.143 0.591 2.324 1.00 0.00 C ATOM 0 H VAL A 51 -8.957 0.391 -0.166 1.00 0.00 H new ATOM 0 HA VAL A 51 -8.327 2.870 0.855 1.00 0.00 H new ATOM 0 HB VAL A 51 -6.671 0.314 0.809 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -5.543 1.220 2.799 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -5.270 2.236 1.365 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -6.438 2.746 2.607 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.643 -0.061 3.040 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.624 1.412 2.856 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -8.896 0.022 1.779 1.00 0.00 H new ATOM 721 N VAL A 52 -6.183 1.870 -1.470 1.00 0.00 N ATOM 722 CA VAL A 52 -5.155 2.332 -2.394 1.00 0.00 C ATOM 723 C VAL A 52 -5.766 3.120 -3.547 1.00 0.00 C ATOM 724 O VAL A 52 -5.065 3.830 -4.268 1.00 0.00 O ATOM 725 CB VAL A 52 -4.343 1.154 -2.965 1.00 0.00 C ATOM 726 CG1 VAL A 52 -3.107 1.660 -3.693 1.00 0.00 C ATOM 727 CG2 VAL A 52 -3.960 0.185 -1.856 1.00 0.00 C ATOM 0 H VAL A 52 -6.426 0.884 -1.568 1.00 0.00 H new ATOM 0 HA VAL A 52 -4.489 2.982 -1.827 1.00 0.00 H new ATOM 0 HB VAL A 52 -4.965 0.621 -3.684 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.546 0.814 -4.089 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -3.409 2.311 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.479 2.218 -2.999 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -3.387 -0.641 -2.277 1.00 0.00 H new ATOM 0 HG22 VAL A 52 -3.356 0.704 -1.112 1.00 0.00 H new ATOM 0 HG23 VAL A 52 -4.863 -0.203 -1.384 1.00 0.00 H new ATOM 737 N ARG A 53 -7.078 2.990 -3.716 1.00 0.00 N ATOM 738 CA ARG A 53 -7.784 3.689 -4.782 1.00 0.00 C ATOM 739 C ARG A 53 -7.278 3.246 -6.152 1.00 0.00 C ATOM 740 O ARG A 53 -7.017 4.073 -7.026 1.00 0.00 O ATOM 741 CB ARG A 53 -7.615 5.202 -4.629 1.00 0.00 C ATOM 742 CG ARG A 53 -8.209 5.754 -3.343 1.00 0.00 C ATOM 743 CD ARG A 53 -7.482 7.010 -2.888 1.00 0.00 C ATOM 744 NE ARG A 53 -8.362 7.918 -2.157 1.00 0.00 N ATOM 745 CZ ARG A 53 -7.927 8.969 -1.471 1.00 0.00 C ATOM 746 NH1 ARG A 53 -6.631 9.244 -1.423 1.00 0.00 N ATOM 747 NH2 ARG A 53 -8.790 9.748 -0.832 1.00 0.00 N ATOM 0 H ARG A 53 -7.673 2.407 -3.128 1.00 0.00 H new ATOM 0 HA ARG A 53 -8.842 3.439 -4.706 1.00 0.00 H new ATOM 0 HB2 ARG A 53 -6.553 5.446 -4.663 1.00 0.00 H new ATOM 0 HB3 ARG A 53 -8.083 5.699 -5.478 1.00 0.00 H new ATOM 0 HG2 ARG A 53 -9.265 5.978 -3.495 1.00 0.00 H new ATOM 0 HG3 ARG A 53 -8.154 4.997 -2.561 1.00 0.00 H new ATOM 0 HD2 ARG A 53 -6.640 6.732 -2.253 1.00 0.00 H new ATOM 0 HD3 ARG A 53 -7.070 7.525 -3.756 1.00 0.00 H new ATOM 0 HE ARG A 53 -9.365 7.735 -2.174 1.00 0.00 H new ATOM 0 HH11 ARG A 53 -5.965 8.648 -1.914 1.00 0.00 H new ATOM 0 HH12 ARG A 53 -6.300 10.052 -0.895 1.00 0.00 H new ATOM 0 HH21 ARG A 53 -9.788 9.540 -0.867 1.00 0.00 H new ATOM 0 HH22 ARG A 53 -8.456 10.555 -0.305 1.00 0.00 H new ATOM 761 N LEU A 54 -7.141 1.937 -6.330 1.00 0.00 N ATOM 762 CA LEU A 54 -6.665 1.383 -7.593 1.00 0.00 C ATOM 763 C LEU A 54 -7.700 0.441 -8.199 1.00 0.00 C ATOM 764 O LEU A 54 -8.415 -0.257 -7.481 1.00 0.00 O ATOM 765 CB LEU A 54 -5.344 0.640 -7.381 1.00 0.00 C ATOM 766 CG LEU A 54 -4.420 0.554 -8.596 1.00 0.00 C ATOM 767 CD1 LEU A 54 -3.057 0.014 -8.193 1.00 0.00 C ATOM 768 CD2 LEU A 54 -5.042 -0.315 -9.679 1.00 0.00 C ATOM 0 H LEU A 54 -7.353 1.240 -5.616 1.00 0.00 H new ATOM 0 HA LEU A 54 -6.503 2.209 -8.286 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.802 1.128 -6.571 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -5.569 -0.373 -7.049 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.285 1.558 -8.998 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -2.413 -0.040 -9.071 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -2.607 0.676 -7.453 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -3.172 -0.982 -7.766 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.370 -0.365 -10.536 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.208 -1.319 -9.289 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -5.994 0.116 -9.989 1.00 0.00 H new ATOM 780 N VAL A 55 -7.773 0.425 -9.526 1.00 0.00 N ATOM 781 CA VAL A 55 -8.718 -0.434 -10.230 1.00 0.00 C ATOM 782 C VAL A 55 -8.449 -1.905 -9.934 1.00 0.00 C ATOM 783 O VAL A 55 -7.312 -2.374 -9.976 1.00 0.00 O ATOM 784 CB VAL A 55 -8.657 -0.208 -11.752 1.00 0.00 C ATOM 785 CG1 VAL A 55 -9.577 -1.180 -12.474 1.00 0.00 C ATOM 786 CG2 VAL A 55 -9.016 1.231 -12.091 1.00 0.00 C ATOM 0 H VAL A 55 -7.189 0.997 -10.136 1.00 0.00 H new ATOM 0 HA VAL A 55 -9.713 -0.170 -9.871 1.00 0.00 H new ATOM 0 HB VAL A 55 -7.637 -0.393 -12.089 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -9.520 -1.005 -13.548 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -9.269 -2.203 -12.256 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -10.602 -1.030 -12.136 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -8.968 1.373 -13.171 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -10.026 1.446 -11.741 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -8.312 1.906 -11.604 1.00 0.00 H new ATOM 796 N PRO A 56 -9.520 -2.653 -9.628 1.00 0.00 N ATOM 797 CA PRO A 56 -9.425 -4.083 -9.321 1.00 0.00 C ATOM 798 C PRO A 56 -9.071 -4.917 -10.547 1.00 0.00 C ATOM 799 O PRO A 56 -8.270 -5.848 -10.466 1.00 0.00 O ATOM 800 CB PRO A 56 -10.830 -4.433 -8.824 1.00 0.00 C ATOM 801 CG PRO A 56 -11.719 -3.420 -9.458 1.00 0.00 C ATOM 802 CD PRO A 56 -10.906 -2.159 -9.560 1.00 0.00 C ATOM 0 HA PRO A 56 -8.637 -4.293 -8.598 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -11.112 -5.445 -9.115 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -10.888 -4.386 -7.737 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -12.049 -3.752 -10.442 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -12.615 -3.259 -8.859 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -11.171 -1.580 -10.445 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -11.060 -1.510 -8.698 1.00 0.00 H new ATOM 810 N GLY A 57 -9.672 -4.577 -11.683 1.00 0.00 N ATOM 811 CA GLY A 57 -9.407 -5.305 -12.910 1.00 0.00 C ATOM 812 C GLY A 57 -7.963 -5.184 -13.355 1.00 0.00 C ATOM 813 O GLY A 57 -7.473 -6.008 -14.126 1.00 0.00 O ATOM 0 H GLY A 57 -10.338 -3.810 -11.775 1.00 0.00 H new ATOM 0 HA2 GLY A 57 -9.652 -6.357 -12.765 1.00 0.00 H new ATOM 0 HA3 GLY A 57 -10.060 -4.931 -13.699 1.00 0.00 H new ATOM 817 N ALA A 58 -7.280 -4.152 -12.869 1.00 0.00 N ATOM 818 CA ALA A 58 -5.884 -3.926 -13.221 1.00 0.00 C ATOM 819 C ALA A 58 -4.950 -4.634 -12.245 1.00 0.00 C ATOM 820 O ALA A 58 -4.039 -5.354 -12.654 1.00 0.00 O ATOM 821 CB ALA A 58 -5.583 -2.435 -13.255 1.00 0.00 C ATOM 0 H ALA A 58 -7.671 -3.460 -12.230 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.713 -4.343 -14.214 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -4.537 -2.281 -13.519 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -6.219 -1.952 -13.997 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -5.777 -2.002 -12.274 1.00 0.00 H new ATOM 827 N TYR A 59 -5.182 -4.424 -10.954 1.00 0.00 N ATOM 828 CA TYR A 59 -4.359 -5.039 -9.920 1.00 0.00 C ATOM 829 C TYR A 59 -4.043 -6.491 -10.267 1.00 0.00 C ATOM 830 O TYR A 59 -3.018 -7.032 -9.852 1.00 0.00 O ATOM 831 CB TYR A 59 -5.068 -4.970 -8.566 1.00 0.00 C ATOM 832 CG TYR A 59 -4.594 -6.014 -7.580 1.00 0.00 C ATOM 833 CD1 TYR A 59 -3.334 -5.929 -7.001 1.00 0.00 C ATOM 834 CD2 TYR A 59 -5.406 -7.084 -7.227 1.00 0.00 C ATOM 835 CE1 TYR A 59 -2.896 -6.881 -6.101 1.00 0.00 C ATOM 836 CE2 TYR A 59 -4.977 -8.040 -6.326 1.00 0.00 C ATOM 837 CZ TYR A 59 -3.722 -7.934 -5.766 1.00 0.00 C ATOM 838 OH TYR A 59 -3.290 -8.884 -4.869 1.00 0.00 O ATOM 0 H TYR A 59 -5.933 -3.833 -10.599 1.00 0.00 H new ATOM 0 HA TYR A 59 -3.422 -4.486 -9.861 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.916 -3.980 -8.136 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.140 -5.089 -8.720 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -2.686 -5.105 -7.259 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -6.390 -7.170 -7.664 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -1.912 -6.801 -5.662 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -5.621 -8.866 -6.062 1.00 0.00 H new ATOM 0 HH TYR A 59 -3.991 -9.556 -4.742 1.00 0.00 H new ATOM 848 N LEU A 60 -4.931 -7.116 -11.032 1.00 0.00 N ATOM 849 CA LEU A 60 -4.748 -8.505 -11.437 1.00 0.00 C ATOM 850 C LEU A 60 -3.698 -8.618 -12.538 1.00 0.00 C ATOM 851 O LEU A 60 -2.878 -9.535 -12.535 1.00 0.00 O ATOM 852 CB LEU A 60 -6.075 -9.095 -11.920 1.00 0.00 C ATOM 853 CG LEU A 60 -7.283 -8.861 -11.013 1.00 0.00 C ATOM 854 CD1 LEU A 60 -8.575 -9.169 -11.754 1.00 0.00 C ATOM 855 CD2 LEU A 60 -7.175 -9.706 -9.752 1.00 0.00 C ATOM 0 H LEU A 60 -5.785 -6.683 -11.384 1.00 0.00 H new ATOM 0 HA LEU A 60 -4.401 -9.067 -10.570 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -6.298 -8.680 -12.903 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -5.946 -10.170 -12.050 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.297 -7.811 -10.722 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -9.424 -8.997 -11.092 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -8.657 -8.521 -12.626 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.571 -10.211 -12.075 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -8.043 -9.526 -9.118 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.136 -10.761 -10.023 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -6.268 -9.437 -9.210 1.00 0.00 H new ATOM 867 N GLU A 61 -3.730 -7.677 -13.477 1.00 0.00 N ATOM 868 CA GLU A 61 -2.779 -7.671 -14.583 1.00 0.00 C ATOM 869 C GLU A 61 -1.344 -7.613 -14.067 1.00 0.00 C ATOM 870 O GLU A 61 -0.444 -8.235 -14.631 1.00 0.00 O ATOM 871 CB GLU A 61 -3.048 -6.483 -15.509 1.00 0.00 C ATOM 872 CG GLU A 61 -4.028 -6.793 -16.628 1.00 0.00 C ATOM 873 CD GLU A 61 -4.783 -5.566 -17.100 1.00 0.00 C ATOM 874 OE1 GLU A 61 -5.670 -5.094 -16.359 1.00 0.00 O ATOM 875 OE2 GLU A 61 -4.485 -5.077 -18.210 1.00 0.00 O ATOM 0 H GLU A 61 -4.403 -6.911 -13.494 1.00 0.00 H new ATOM 0 HA GLU A 61 -2.908 -8.597 -15.144 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -3.435 -5.653 -14.918 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -2.105 -6.152 -15.944 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -3.488 -7.228 -17.469 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -4.740 -7.543 -16.284 1.00 0.00 H new ATOM 882 N TYR A 62 -1.139 -6.861 -12.991 1.00 0.00 N ATOM 883 CA TYR A 62 0.186 -6.718 -12.400 1.00 0.00 C ATOM 884 C TYR A 62 0.627 -8.017 -11.732 1.00 0.00 C ATOM 885 O TYR A 62 1.798 -8.395 -11.794 1.00 0.00 O ATOM 886 CB TYR A 62 0.192 -5.580 -11.379 1.00 0.00 C ATOM 887 CG TYR A 62 -0.424 -4.300 -11.896 1.00 0.00 C ATOM 888 CD1 TYR A 62 -0.524 -4.055 -13.260 1.00 0.00 C ATOM 889 CD2 TYR A 62 -0.908 -3.335 -11.020 1.00 0.00 C ATOM 890 CE1 TYR A 62 -1.086 -2.886 -13.736 1.00 0.00 C ATOM 891 CE2 TYR A 62 -1.472 -2.164 -11.488 1.00 0.00 C ATOM 892 CZ TYR A 62 -1.559 -1.944 -12.847 1.00 0.00 C ATOM 893 OH TYR A 62 -2.121 -0.779 -13.317 1.00 0.00 O ATOM 0 H TYR A 62 -1.873 -6.341 -12.511 1.00 0.00 H new ATOM 0 HA TYR A 62 0.889 -6.484 -13.199 1.00 0.00 H new ATOM 0 HB2 TYR A 62 -0.349 -5.900 -10.488 1.00 0.00 H new ATOM 0 HB3 TYR A 62 1.220 -5.382 -11.074 1.00 0.00 H new ATOM 0 HD1 TYR A 62 -0.156 -4.791 -13.960 1.00 0.00 H new ATOM 0 HD2 TYR A 62 -0.842 -3.504 -9.955 1.00 0.00 H new ATOM 0 HE1 TYR A 62 -1.155 -2.711 -14.799 1.00 0.00 H new ATOM 0 HE2 TYR A 62 -1.843 -1.425 -10.794 1.00 0.00 H new ATOM 0 HH TYR A 62 -2.404 -0.224 -12.561 1.00 0.00 H new ATOM 903 N LYS A 63 -0.319 -8.698 -11.095 1.00 0.00 N ATOM 904 CA LYS A 63 -0.031 -9.957 -10.417 1.00 0.00 C ATOM 905 C LYS A 63 0.795 -10.879 -11.308 1.00 0.00 C ATOM 906 O LYS A 63 1.641 -11.631 -10.824 1.00 0.00 O ATOM 907 CB LYS A 63 -1.334 -10.652 -10.014 1.00 0.00 C ATOM 908 CG LYS A 63 -2.125 -9.898 -8.960 1.00 0.00 C ATOM 909 CD LYS A 63 -1.726 -10.318 -7.556 1.00 0.00 C ATOM 910 CE LYS A 63 -2.391 -11.626 -7.155 1.00 0.00 C ATOM 911 NZ LYS A 63 -2.080 -11.998 -5.747 1.00 0.00 N ATOM 0 H LYS A 63 -1.292 -8.399 -11.034 1.00 0.00 H new ATOM 0 HA LYS A 63 0.548 -9.734 -9.521 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -1.956 -10.781 -10.900 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -1.103 -11.649 -9.639 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -1.963 -8.827 -9.080 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -3.190 -10.078 -9.106 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -0.643 -10.428 -7.502 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.003 -9.536 -6.849 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.470 -11.537 -7.277 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -2.059 -12.421 -7.822 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -2.552 -12.895 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -1.052 -12.108 -5.636 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -2.419 -11.251 -5.108 1.00 0.00 H new ATOM 925 N SER A 64 0.546 -10.814 -12.612 1.00 0.00 N ATOM 926 CA SER A 64 1.266 -11.645 -13.570 1.00 0.00 C ATOM 927 C SER A 64 2.705 -11.164 -13.733 1.00 0.00 C ATOM 928 O SER A 64 3.648 -11.945 -13.618 1.00 0.00 O ATOM 929 CB SER A 64 0.555 -11.630 -14.924 1.00 0.00 C ATOM 930 OG SER A 64 -0.618 -12.425 -14.893 1.00 0.00 O ATOM 0 H SER A 64 -0.149 -10.195 -13.029 1.00 0.00 H new ATOM 0 HA SER A 64 1.284 -12.666 -13.188 1.00 0.00 H new ATOM 0 HB2 SER A 64 0.297 -10.605 -15.191 1.00 0.00 H new ATOM 0 HB3 SER A 64 1.229 -12.001 -15.696 1.00 0.00 H new ATOM 0 HG SER A 64 -1.055 -12.398 -15.770 1.00 0.00 H new ATOM 936 N ALA A 65 2.863 -9.872 -14.001 1.00 0.00 N ATOM 937 CA ALA A 65 4.186 -9.285 -14.178 1.00 0.00 C ATOM 938 C ALA A 65 5.025 -9.432 -12.913 1.00 0.00 C ATOM 939 O ALA A 65 6.109 -10.018 -12.940 1.00 0.00 O ATOM 940 CB ALA A 65 4.065 -7.819 -14.566 1.00 0.00 C ATOM 0 H ALA A 65 2.092 -9.212 -14.100 1.00 0.00 H new ATOM 0 HA ALA A 65 4.690 -9.822 -14.982 1.00 0.00 H new ATOM 0 HB1 ALA A 65 5.060 -7.393 -14.695 1.00 0.00 H new ATOM 0 HB2 ALA A 65 3.510 -7.735 -15.501 1.00 0.00 H new ATOM 0 HB3 ALA A 65 3.538 -7.277 -13.781 1.00 0.00 H new ATOM 946 N LEU A 66 4.520 -8.897 -11.808 1.00 0.00 N ATOM 947 CA LEU A 66 5.224 -8.969 -10.532 1.00 0.00 C ATOM 948 C LEU A 66 5.688 -10.393 -10.245 1.00 0.00 C ATOM 949 O LEU A 66 6.863 -10.629 -9.962 1.00 0.00 O ATOM 950 CB LEU A 66 4.320 -8.477 -9.400 1.00 0.00 C ATOM 951 CG LEU A 66 3.927 -7.000 -9.448 1.00 0.00 C ATOM 952 CD1 LEU A 66 3.470 -6.525 -8.078 1.00 0.00 C ATOM 953 CD2 LEU A 66 5.091 -6.155 -9.947 1.00 0.00 C ATOM 0 H LEU A 66 3.626 -8.408 -11.769 1.00 0.00 H new ATOM 0 HA LEU A 66 6.102 -8.326 -10.593 1.00 0.00 H new ATOM 0 HB2 LEU A 66 3.409 -9.075 -9.404 1.00 0.00 H new ATOM 0 HB3 LEU A 66 4.822 -8.668 -8.452 1.00 0.00 H new ATOM 0 HG LEU A 66 3.096 -6.887 -10.145 1.00 0.00 H new ATOM 0 HD11 LEU A 66 3.194 -5.472 -8.131 1.00 0.00 H new ATOM 0 HD12 LEU A 66 2.607 -7.110 -7.759 1.00 0.00 H new ATOM 0 HD13 LEU A 66 4.280 -6.652 -7.360 1.00 0.00 H new ATOM 0 HD21 LEU A 66 4.794 -5.107 -9.975 1.00 0.00 H new ATOM 0 HD22 LEU A 66 5.941 -6.273 -9.275 1.00 0.00 H new ATOM 0 HD23 LEU A 66 5.373 -6.479 -10.949 1.00 0.00 H new ATOM 965 N LEU A 67 4.759 -11.339 -10.323 1.00 0.00 N ATOM 966 CA LEU A 67 5.073 -12.742 -10.074 1.00 0.00 C ATOM 967 C LEU A 67 6.014 -13.287 -11.144 1.00 0.00 C ATOM 968 O LEU A 67 6.701 -14.285 -10.930 1.00 0.00 O ATOM 969 CB LEU A 67 3.790 -13.573 -10.036 1.00 0.00 C ATOM 970 CG LEU A 67 2.788 -13.211 -8.939 1.00 0.00 C ATOM 971 CD1 LEU A 67 1.435 -13.846 -9.220 1.00 0.00 C ATOM 972 CD2 LEU A 67 3.309 -13.644 -7.576 1.00 0.00 C ATOM 0 H LEU A 67 3.782 -11.161 -10.557 1.00 0.00 H new ATOM 0 HA LEU A 67 5.572 -12.811 -9.107 1.00 0.00 H new ATOM 0 HB2 LEU A 67 3.292 -13.479 -11.001 1.00 0.00 H new ATOM 0 HB3 LEU A 67 4.063 -14.622 -9.919 1.00 0.00 H new ATOM 0 HG LEU A 67 2.664 -12.128 -8.931 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.735 -13.577 -8.429 1.00 0.00 H new ATOM 0 HD12 LEU A 67 1.056 -13.487 -10.177 1.00 0.00 H new ATOM 0 HD13 LEU A 67 1.542 -14.930 -9.256 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.583 -13.378 -6.808 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.464 -14.723 -7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 67 4.254 -13.141 -7.371 1.00 0.00 H new ATOM 984 N ASN A 68 6.041 -12.624 -12.295 1.00 0.00 N ATOM 985 CA ASN A 68 6.899 -13.041 -13.398 1.00 0.00 C ATOM 986 C ASN A 68 8.371 -12.949 -13.007 1.00 0.00 C ATOM 987 O ASN A 68 9.094 -13.945 -13.035 1.00 0.00 O ATOM 988 CB ASN A 68 6.633 -12.179 -14.633 1.00 0.00 C ATOM 989 CG ASN A 68 6.882 -12.929 -15.927 1.00 0.00 C ATOM 990 OD1 ASN A 68 8.026 -13.199 -16.291 1.00 0.00 O ATOM 991 ND2 ASN A 68 5.807 -13.270 -16.629 1.00 0.00 N ATOM 0 H ASN A 68 5.478 -11.795 -12.488 1.00 0.00 H new ATOM 0 HA ASN A 68 6.668 -14.080 -13.632 1.00 0.00 H new ATOM 0 HB2 ASN A 68 5.601 -11.828 -14.612 1.00 0.00 H new ATOM 0 HB3 ASN A 68 7.271 -11.295 -14.600 1.00 0.00 H new ATOM 0 HD21 ASN A 68 5.912 -13.777 -17.508 1.00 0.00 H new ATOM 0 HD22 ASN A 68 4.877 -13.025 -16.289 1.00 0.00 H new ATOM 998 N GLU A 69 8.807 -11.747 -12.642 1.00 0.00 N ATOM 999 CA GLU A 69 10.192 -11.526 -12.246 1.00 0.00 C ATOM 1000 C GLU A 69 10.541 -12.343 -11.005 1.00 0.00 C ATOM 1001 O GLU A 69 11.309 -13.303 -11.077 1.00 0.00 O ATOM 1002 CB GLU A 69 10.438 -10.040 -11.977 1.00 0.00 C ATOM 1003 CG GLU A 69 10.907 -9.269 -13.199 1.00 0.00 C ATOM 1004 CD GLU A 69 10.860 -7.767 -12.995 1.00 0.00 C ATOM 1005 OE1 GLU A 69 11.076 -7.317 -11.850 1.00 0.00 O ATOM 1006 OE2 GLU A 69 10.607 -7.042 -13.980 1.00 0.00 O ATOM 0 H GLU A 69 8.221 -10.913 -12.613 1.00 0.00 H new ATOM 0 HA GLU A 69 10.833 -11.851 -13.066 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.518 -9.590 -11.605 1.00 0.00 H new ATOM 0 HB3 GLU A 69 11.183 -9.941 -11.188 1.00 0.00 H new ATOM 0 HG2 GLU A 69 11.927 -9.567 -13.443 1.00 0.00 H new ATOM 0 HG3 GLU A 69 10.284 -9.536 -14.053 1.00 0.00 H new ATOM 1013 N CYS A 70 9.971 -11.955 -9.870 1.00 0.00 N ATOM 1014 CA CYS A 70 10.222 -12.650 -8.612 1.00 0.00 C ATOM 1015 C CYS A 70 10.369 -14.151 -8.840 1.00 0.00 C ATOM 1016 O CYS A 70 11.117 -14.827 -8.134 1.00 0.00 O ATOM 1017 CB CYS A 70 9.087 -12.381 -7.622 1.00 0.00 C ATOM 1018 SG CYS A 70 9.158 -13.393 -6.125 1.00 0.00 S ATOM 0 H CYS A 70 9.332 -11.163 -9.795 1.00 0.00 H new ATOM 0 HA CYS A 70 11.155 -12.271 -8.196 1.00 0.00 H new ATOM 0 HB2 CYS A 70 9.109 -11.329 -7.338 1.00 0.00 H new ATOM 0 HB3 CYS A 70 8.134 -12.557 -8.122 1.00 0.00 H new ATOM 0 HG CYS A 70 10.108 -14.273 -6.241 1.00 0.00 H new ATOM 1024 N HIS A 71 9.648 -14.667 -9.831 1.00 0.00 N ATOM 1025 CA HIS A 71 9.697 -16.089 -10.152 1.00 0.00 C ATOM 1026 C HIS A 71 11.041 -16.460 -10.771 1.00 0.00 C ATOM 1027 O HIS A 71 11.664 -17.449 -10.384 1.00 0.00 O ATOM 1028 CB HIS A 71 8.563 -16.457 -11.109 1.00 0.00 C ATOM 1029 CG HIS A 71 7.273 -16.772 -10.415 1.00 0.00 C ATOM 1030 ND1 HIS A 71 6.053 -16.771 -11.058 1.00 0.00 N ATOM 1031 CD2 HIS A 71 7.018 -17.102 -9.128 1.00 0.00 C ATOM 1032 CE1 HIS A 71 5.103 -17.084 -10.196 1.00 0.00 C ATOM 1033 NE2 HIS A 71 5.662 -17.291 -9.017 1.00 0.00 N ATOM 0 H HIS A 71 9.023 -14.122 -10.425 1.00 0.00 H new ATOM 0 HA HIS A 71 9.576 -16.650 -9.225 1.00 0.00 H new ATOM 0 HB2 HIS A 71 8.401 -15.632 -11.802 1.00 0.00 H new ATOM 0 HB3 HIS A 71 8.866 -17.318 -11.704 1.00 0.00 H new ATOM 0 HD2 HIS A 71 7.745 -17.199 -8.335 1.00 0.00 H new ATOM 0 HE1 HIS A 71 4.048 -17.158 -10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 71 5.167 -17.549 -8.163 1.00 0.00 H new ATOM 1042 N LYS A 72 11.484 -15.660 -11.735 1.00 0.00 N ATOM 1043 CA LYS A 72 12.754 -15.903 -12.409 1.00 0.00 C ATOM 1044 C LYS A 72 13.926 -15.676 -11.458 1.00 0.00 C ATOM 1045 O LYS A 72 14.662 -16.607 -11.133 1.00 0.00 O ATOM 1046 CB LYS A 72 12.890 -14.991 -13.630 1.00 0.00 C ATOM 1047 CG LYS A 72 11.720 -15.086 -14.593 1.00 0.00 C ATOM 1048 CD LYS A 72 11.493 -13.775 -15.326 1.00 0.00 C ATOM 1049 CE LYS A 72 12.594 -13.504 -16.340 1.00 0.00 C ATOM 1050 NZ LYS A 72 12.305 -14.137 -17.656 1.00 0.00 N ATOM 0 H LYS A 72 10.982 -14.837 -12.067 1.00 0.00 H new ATOM 0 HA LYS A 72 12.770 -16.942 -12.737 1.00 0.00 H new ATOM 0 HB2 LYS A 72 12.990 -13.959 -13.293 1.00 0.00 H new ATOM 0 HB3 LYS A 72 13.808 -15.243 -14.161 1.00 0.00 H new ATOM 0 HG2 LYS A 72 11.906 -15.880 -15.316 1.00 0.00 H new ATOM 0 HG3 LYS A 72 10.818 -15.358 -14.045 1.00 0.00 H new ATOM 0 HD2 LYS A 72 10.529 -13.803 -15.833 1.00 0.00 H new ATOM 0 HD3 LYS A 72 11.451 -12.957 -14.606 1.00 0.00 H new ATOM 0 HE2 LYS A 72 12.709 -12.428 -16.472 1.00 0.00 H new ATOM 0 HE3 LYS A 72 13.542 -13.881 -15.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 13.079 -13.929 -18.319 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 12.220 -15.166 -17.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 11.413 -13.759 -18.035 1.00 0.00 H new ATOM 1064 N GLN A 73 14.091 -14.433 -11.016 1.00 0.00 N ATOM 1065 CA GLN A 73 15.173 -14.086 -10.103 1.00 0.00 C ATOM 1066 C GLN A 73 14.983 -14.765 -8.751 1.00 0.00 C ATOM 1067 O GLN A 73 15.866 -15.477 -8.273 1.00 0.00 O ATOM 1068 CB GLN A 73 15.245 -12.569 -9.918 1.00 0.00 C ATOM 1069 CG GLN A 73 13.936 -11.948 -9.458 1.00 0.00 C ATOM 1070 CD GLN A 73 13.850 -10.468 -9.771 1.00 0.00 C ATOM 1071 OE1 GLN A 73 13.612 -10.142 -11.036 1.00 0.00 O flip ATOM 1072 NE2 GLN A 73 13.997 -9.625 -8.885 1.00 0.00 N flip ATOM 0 H GLN A 73 13.490 -13.651 -11.275 1.00 0.00 H new ATOM 0 HA GLN A 73 16.109 -14.438 -10.538 1.00 0.00 H new ATOM 0 HB2 GLN A 73 16.023 -12.337 -9.190 1.00 0.00 H new ATOM 0 HB3 GLN A 73 15.543 -12.110 -10.861 1.00 0.00 H new ATOM 0 HG2 GLN A 73 13.105 -12.466 -9.937 1.00 0.00 H new ATOM 0 HG3 GLN A 73 13.826 -12.095 -8.384 1.00 0.00 H new ATOM 0 HE21 GLN A 73 14.178 -9.920 -7.926 1.00 0.00 H new ATOM 0 HE22 GLN A 73 13.937 -8.632 -9.111 1.00 0.00 H new ATOM 1081 N GLY A 74 13.825 -14.540 -8.137 1.00 0.00 N ATOM 1082 CA GLY A 74 13.541 -15.137 -6.846 1.00 0.00 C ATOM 1083 C GLY A 74 13.227 -14.102 -5.784 1.00 0.00 C ATOM 1084 O GLY A 74 12.475 -14.370 -4.849 1.00 0.00 O ATOM 0 H GLY A 74 13.079 -13.954 -8.512 1.00 0.00 H new ATOM 0 HA2 GLY A 74 12.698 -15.821 -6.943 1.00 0.00 H new ATOM 0 HA3 GLY A 74 14.398 -15.731 -6.528 1.00 0.00 H new ATOM 1088 N GLY A 75 13.808 -12.914 -5.928 1.00 0.00 N ATOM 1089 CA GLY A 75 13.575 -11.853 -4.966 1.00 0.00 C ATOM 1090 C GLY A 75 13.275 -10.524 -5.629 1.00 0.00 C ATOM 1091 O GLY A 75 14.111 -9.979 -6.352 1.00 0.00 O ATOM 0 H GLY A 75 14.436 -12.668 -6.694 1.00 0.00 H new ATOM 0 HA2 GLY A 75 12.742 -12.129 -4.320 1.00 0.00 H new ATOM 0 HA3 GLY A 75 14.452 -11.747 -4.327 1.00 0.00 H new ATOM 1095 N LEU A 76 12.079 -10.000 -5.386 1.00 0.00 N ATOM 1096 CA LEU A 76 11.669 -8.726 -5.967 1.00 0.00 C ATOM 1097 C LEU A 76 11.371 -7.702 -4.877 1.00 0.00 C ATOM 1098 O LEU A 76 10.738 -8.018 -3.870 1.00 0.00 O ATOM 1099 CB LEU A 76 10.436 -8.920 -6.851 1.00 0.00 C ATOM 1100 CG LEU A 76 10.248 -7.900 -7.975 1.00 0.00 C ATOM 1101 CD1 LEU A 76 11.228 -8.166 -9.107 1.00 0.00 C ATOM 1102 CD2 LEU A 76 8.816 -7.929 -8.488 1.00 0.00 C ATOM 0 H LEU A 76 11.376 -10.437 -4.791 1.00 0.00 H new ATOM 0 HA LEU A 76 12.491 -8.351 -6.577 1.00 0.00 H new ATOM 0 HB2 LEU A 76 10.485 -9.914 -7.295 1.00 0.00 H new ATOM 0 HB3 LEU A 76 9.551 -8.897 -6.215 1.00 0.00 H new ATOM 0 HG LEU A 76 10.449 -6.906 -7.575 1.00 0.00 H new ATOM 0 HD11 LEU A 76 11.079 -7.430 -9.897 1.00 0.00 H new ATOM 0 HD12 LEU A 76 12.248 -8.092 -8.730 1.00 0.00 H new ATOM 0 HD13 LEU A 76 11.060 -9.166 -9.506 1.00 0.00 H new ATOM 0 HD21 LEU A 76 8.701 -7.197 -9.287 1.00 0.00 H new ATOM 0 HD22 LEU A 76 8.587 -8.923 -8.871 1.00 0.00 H new ATOM 0 HD23 LEU A 76 8.133 -7.688 -7.674 1.00 0.00 H new ATOM 1114 N ARG A 77 11.830 -6.472 -5.087 1.00 0.00 N ATOM 1115 CA ARG A 77 11.612 -5.401 -4.123 1.00 0.00 C ATOM 1116 C ARG A 77 10.626 -4.371 -4.667 1.00 0.00 C ATOM 1117 O ARG A 77 10.097 -4.525 -5.769 1.00 0.00 O ATOM 1118 CB ARG A 77 12.938 -4.719 -3.777 1.00 0.00 C ATOM 1119 CG ARG A 77 13.662 -4.147 -4.985 1.00 0.00 C ATOM 1120 CD ARG A 77 14.683 -3.097 -4.576 1.00 0.00 C ATOM 1121 NE ARG A 77 15.401 -2.555 -5.727 1.00 0.00 N ATOM 1122 CZ ARG A 77 16.295 -3.245 -6.427 1.00 0.00 C ATOM 1123 NH1 ARG A 77 16.579 -4.496 -6.096 1.00 0.00 N ATOM 1124 NH2 ARG A 77 16.906 -2.682 -7.462 1.00 0.00 N ATOM 0 H ARG A 77 12.355 -6.193 -5.916 1.00 0.00 H new ATOM 0 HA ARG A 77 11.190 -5.841 -3.219 1.00 0.00 H new ATOM 0 HB2 ARG A 77 12.749 -3.917 -3.064 1.00 0.00 H new ATOM 0 HB3 ARG A 77 13.589 -5.439 -3.281 1.00 0.00 H new ATOM 0 HG2 ARG A 77 14.162 -4.951 -5.526 1.00 0.00 H new ATOM 0 HG3 ARG A 77 12.938 -3.705 -5.669 1.00 0.00 H new ATOM 0 HD2 ARG A 77 14.179 -2.287 -4.049 1.00 0.00 H new ATOM 0 HD3 ARG A 77 15.396 -3.537 -3.878 1.00 0.00 H new ATOM 0 HE ARG A 77 15.205 -1.594 -6.009 1.00 0.00 H new ATOM 0 HH11 ARG A 77 16.111 -4.932 -5.302 1.00 0.00 H new ATOM 0 HH12 ARG A 77 17.266 -5.023 -6.635 1.00 0.00 H new ATOM 0 HH21 ARG A 77 16.689 -1.719 -7.720 1.00 0.00 H new ATOM 0 HH22 ARG A 77 17.592 -3.212 -7.999 1.00 0.00 H new ATOM 1138 N LEU A 78 10.383 -3.323 -3.889 1.00 0.00 N ATOM 1139 CA LEU A 78 9.460 -2.268 -4.292 1.00 0.00 C ATOM 1140 C LEU A 78 10.018 -1.478 -5.472 1.00 0.00 C ATOM 1141 O LEU A 78 9.399 -1.409 -6.534 1.00 0.00 O ATOM 1142 CB LEU A 78 9.185 -1.327 -3.118 1.00 0.00 C ATOM 1143 CG LEU A 78 8.295 -0.120 -3.419 1.00 0.00 C ATOM 1144 CD1 LEU A 78 6.877 -0.569 -3.739 1.00 0.00 C ATOM 1145 CD2 LEU A 78 8.298 0.850 -2.247 1.00 0.00 C ATOM 0 H LEU A 78 10.812 -3.181 -2.975 1.00 0.00 H new ATOM 0 HA LEU A 78 8.525 -2.736 -4.601 1.00 0.00 H new ATOM 0 HB2 LEU A 78 8.722 -1.904 -2.317 1.00 0.00 H new ATOM 0 HB3 LEU A 78 10.140 -0.963 -2.738 1.00 0.00 H new ATOM 0 HG LEU A 78 8.696 0.395 -4.292 1.00 0.00 H new ATOM 0 HD11 LEU A 78 6.258 0.303 -3.950 1.00 0.00 H new ATOM 0 HD12 LEU A 78 6.891 -1.224 -4.610 1.00 0.00 H new ATOM 0 HD13 LEU A 78 6.465 -1.108 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 78 7.660 1.703 -2.479 1.00 0.00 H new ATOM 0 HD22 LEU A 78 7.922 0.346 -1.357 1.00 0.00 H new ATOM 0 HD23 LEU A 78 9.315 1.197 -2.065 1.00 0.00 H new ATOM 1157 N ALA A 79 11.191 -0.885 -5.278 1.00 0.00 N ATOM 1158 CA ALA A 79 11.834 -0.104 -6.327 1.00 0.00 C ATOM 1159 C ALA A 79 11.571 -0.708 -7.702 1.00 0.00 C ATOM 1160 O ALA A 79 11.310 0.011 -8.666 1.00 0.00 O ATOM 1161 CB ALA A 79 13.331 -0.006 -6.070 1.00 0.00 C ATOM 0 H ALA A 79 11.715 -0.931 -4.404 1.00 0.00 H new ATOM 0 HA ALA A 79 11.407 0.899 -6.312 1.00 0.00 H new ATOM 0 HB1 ALA A 79 13.798 0.580 -6.861 1.00 0.00 H new ATOM 0 HB2 ALA A 79 13.504 0.478 -5.109 1.00 0.00 H new ATOM 0 HB3 ALA A 79 13.764 -1.006 -6.055 1.00 0.00 H new ATOM 1167 N GLN A 80 11.641 -2.033 -7.785 1.00 0.00 N ATOM 1168 CA GLN A 80 11.410 -2.733 -9.043 1.00 0.00 C ATOM 1169 C GLN A 80 9.919 -2.933 -9.289 1.00 0.00 C ATOM 1170 O GLN A 80 9.429 -2.722 -10.398 1.00 0.00 O ATOM 1171 CB GLN A 80 12.125 -4.085 -9.036 1.00 0.00 C ATOM 1172 CG GLN A 80 13.569 -4.009 -8.567 1.00 0.00 C ATOM 1173 CD GLN A 80 14.446 -5.070 -9.203 1.00 0.00 C ATOM 1174 OE1 GLN A 80 14.763 -6.084 -8.580 1.00 0.00 O ATOM 1175 NE2 GLN A 80 14.842 -4.842 -10.449 1.00 0.00 N ATOM 0 H GLN A 80 11.856 -2.643 -6.996 1.00 0.00 H new ATOM 0 HA GLN A 80 11.813 -2.121 -9.850 1.00 0.00 H new ATOM 0 HB2 GLN A 80 11.578 -4.772 -8.390 1.00 0.00 H new ATOM 0 HB3 GLN A 80 12.100 -4.505 -10.042 1.00 0.00 H new ATOM 0 HG2 GLN A 80 13.971 -3.023 -8.800 1.00 0.00 H new ATOM 0 HG3 GLN A 80 13.601 -4.118 -7.483 1.00 0.00 H new ATOM 0 HE21 GLN A 80 14.555 -3.988 -10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 80 15.433 -5.521 -10.929 1.00 0.00 H new ATOM 1184 N ALA A 81 9.202 -3.343 -8.248 1.00 0.00 N ATOM 1185 CA ALA A 81 7.766 -3.570 -8.351 1.00 0.00 C ATOM 1186 C ALA A 81 7.050 -2.329 -8.874 1.00 0.00 C ATOM 1187 O ALA A 81 6.021 -2.430 -9.543 1.00 0.00 O ATOM 1188 CB ALA A 81 7.198 -3.979 -7.001 1.00 0.00 C ATOM 0 H ALA A 81 9.592 -3.525 -7.323 1.00 0.00 H new ATOM 0 HA ALA A 81 7.602 -4.379 -9.062 1.00 0.00 H new ATOM 0 HB1 ALA A 81 6.125 -4.145 -7.093 1.00 0.00 H new ATOM 0 HB2 ALA A 81 7.680 -4.898 -6.667 1.00 0.00 H new ATOM 0 HB3 ALA A 81 7.382 -3.188 -6.274 1.00 0.00 H new ATOM 1194 N ARG A 82 7.600 -1.160 -8.565 1.00 0.00 N ATOM 1195 CA ARG A 82 7.012 0.101 -9.002 1.00 0.00 C ATOM 1196 C ARG A 82 7.374 0.394 -10.455 1.00 0.00 C ATOM 1197 O ARG A 82 6.794 1.280 -11.083 1.00 0.00 O ATOM 1198 CB ARG A 82 7.486 1.247 -8.106 1.00 0.00 C ATOM 1199 CG ARG A 82 8.763 1.912 -8.593 1.00 0.00 C ATOM 1200 CD ARG A 82 9.440 2.698 -7.481 1.00 0.00 C ATOM 1201 NE ARG A 82 10.863 2.899 -7.741 1.00 0.00 N ATOM 1202 CZ ARG A 82 11.633 3.714 -7.027 1.00 0.00 C ATOM 1203 NH1 ARG A 82 11.119 4.398 -6.015 1.00 0.00 N ATOM 1204 NH2 ARG A 82 12.919 3.844 -7.326 1.00 0.00 N ATOM 0 H ARG A 82 8.452 -1.059 -8.014 1.00 0.00 H new ATOM 0 HA ARG A 82 5.928 0.014 -8.926 1.00 0.00 H new ATOM 0 HB2 ARG A 82 6.698 1.997 -8.042 1.00 0.00 H new ATOM 0 HB3 ARG A 82 7.646 0.866 -7.097 1.00 0.00 H new ATOM 0 HG2 ARG A 82 9.448 1.154 -8.973 1.00 0.00 H new ATOM 0 HG3 ARG A 82 8.533 2.579 -9.424 1.00 0.00 H new ATOM 0 HD2 ARG A 82 8.951 3.666 -7.372 1.00 0.00 H new ATOM 0 HD3 ARG A 82 9.315 2.170 -6.536 1.00 0.00 H new ATOM 0 HE ARG A 82 11.289 2.386 -8.513 1.00 0.00 H new ATOM 0 HH11 ARG A 82 10.131 4.300 -5.783 1.00 0.00 H new ATOM 0 HH12 ARG A 82 11.712 5.023 -5.468 1.00 0.00 H new ATOM 0 HH21 ARG A 82 13.317 3.318 -8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 82 13.509 4.470 -6.778 1.00 0.00 H new ATOM 1218 N ALA A 83 8.335 -0.356 -10.983 1.00 0.00 N ATOM 1219 CA ALA A 83 8.773 -0.178 -12.362 1.00 0.00 C ATOM 1220 C ALA A 83 8.009 -1.102 -13.304 1.00 0.00 C ATOM 1221 O ALA A 83 7.656 -0.715 -14.419 1.00 0.00 O ATOM 1222 CB ALA A 83 10.270 -0.423 -12.477 1.00 0.00 C ATOM 0 H ALA A 83 8.826 -1.093 -10.477 1.00 0.00 H new ATOM 0 HA ALA A 83 8.562 0.851 -12.654 1.00 0.00 H new ATOM 0 HB1 ALA A 83 10.583 -0.287 -13.512 1.00 0.00 H new ATOM 0 HB2 ALA A 83 10.804 0.283 -11.841 1.00 0.00 H new ATOM 0 HB3 ALA A 83 10.497 -1.441 -12.161 1.00 0.00 H new ATOM 1228 N LEU A 84 7.759 -2.325 -12.850 1.00 0.00 N ATOM 1229 CA LEU A 84 7.037 -3.307 -13.654 1.00 0.00 C ATOM 1230 C LEU A 84 5.671 -2.771 -14.069 1.00 0.00 C ATOM 1231 O LEU A 84 5.071 -3.252 -15.031 1.00 0.00 O ATOM 1232 CB LEU A 84 6.870 -4.611 -12.872 1.00 0.00 C ATOM 1233 CG LEU A 84 7.999 -5.631 -13.020 1.00 0.00 C ATOM 1234 CD1 LEU A 84 7.840 -6.755 -12.008 1.00 0.00 C ATOM 1235 CD2 LEU A 84 8.033 -6.188 -14.436 1.00 0.00 C ATOM 0 H LEU A 84 8.045 -2.661 -11.930 1.00 0.00 H new ATOM 0 HA LEU A 84 7.619 -3.503 -14.555 1.00 0.00 H new ATOM 0 HB2 LEU A 84 6.764 -4.367 -11.815 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.938 -5.082 -13.185 1.00 0.00 H new ATOM 0 HG LEU A 84 8.945 -5.126 -12.826 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.653 -7.471 -12.129 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.866 -6.343 -10.999 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.886 -7.258 -12.170 1.00 0.00 H new ATOM 0 HD21 LEU A 84 8.843 -6.912 -14.523 1.00 0.00 H new ATOM 0 HD22 LEU A 84 7.084 -6.676 -14.658 1.00 0.00 H new ATOM 0 HD23 LEU A 84 8.196 -5.375 -15.143 1.00 0.00 H new ATOM 1247 N ILE A 85 5.186 -1.772 -13.340 1.00 0.00 N ATOM 1248 CA ILE A 85 3.892 -1.169 -13.636 1.00 0.00 C ATOM 1249 C ILE A 85 4.050 0.282 -14.078 1.00 0.00 C ATOM 1250 O ILE A 85 3.163 0.848 -14.717 1.00 0.00 O ATOM 1251 CB ILE A 85 2.954 -1.222 -12.415 1.00 0.00 C ATOM 1252 CG1 ILE A 85 3.754 -1.050 -11.122 1.00 0.00 C ATOM 1253 CG2 ILE A 85 2.183 -2.534 -12.397 1.00 0.00 C ATOM 1254 CD1 ILE A 85 2.924 -1.228 -9.870 1.00 0.00 C ATOM 0 H ILE A 85 5.669 -1.363 -12.540 1.00 0.00 H new ATOM 0 HA ILE A 85 3.452 -1.748 -14.448 1.00 0.00 H new ATOM 0 HB ILE A 85 2.238 -0.403 -12.489 1.00 0.00 H new ATOM 0 HG12 ILE A 85 4.572 -1.771 -11.112 1.00 0.00 H new ATOM 0 HG13 ILE A 85 4.204 -0.057 -11.112 1.00 0.00 H new ATOM 0 HG21 ILE A 85 1.524 -2.557 -11.529 1.00 0.00 H new ATOM 0 HG22 ILE A 85 1.588 -2.619 -13.306 1.00 0.00 H new ATOM 0 HG23 ILE A 85 2.884 -3.367 -12.343 1.00 0.00 H new ATOM 0 HD11 ILE A 85 3.556 -1.092 -8.992 1.00 0.00 H new ATOM 0 HD12 ILE A 85 2.122 -0.490 -9.857 1.00 0.00 H new ATOM 0 HD13 ILE A 85 2.495 -2.230 -9.857 1.00 0.00 H new ATOM 1266 N LYS A 86 5.187 0.879 -13.736 1.00 0.00 N ATOM 1267 CA LYS A 86 5.464 2.263 -14.100 1.00 0.00 C ATOM 1268 C LYS A 86 4.435 3.205 -13.483 1.00 0.00 C ATOM 1269 O LYS A 86 3.983 4.152 -14.127 1.00 0.00 O ATOM 1270 CB LYS A 86 5.468 2.421 -15.622 1.00 0.00 C ATOM 1271 CG LYS A 86 6.833 2.205 -16.252 1.00 0.00 C ATOM 1272 CD LYS A 86 7.703 3.445 -16.137 1.00 0.00 C ATOM 1273 CE LYS A 86 7.303 4.504 -17.152 1.00 0.00 C ATOM 1274 NZ LYS A 86 8.045 4.352 -18.434 1.00 0.00 N ATOM 0 H LYS A 86 5.932 0.425 -13.207 1.00 0.00 H new ATOM 0 HA LYS A 86 6.448 2.524 -13.711 1.00 0.00 H new ATOM 0 HB2 LYS A 86 4.761 1.713 -16.054 1.00 0.00 H new ATOM 0 HB3 LYS A 86 5.114 3.420 -15.876 1.00 0.00 H new ATOM 0 HG2 LYS A 86 7.330 1.365 -15.767 1.00 0.00 H new ATOM 0 HG3 LYS A 86 6.712 1.940 -17.302 1.00 0.00 H new ATOM 0 HD2 LYS A 86 7.622 3.855 -15.131 1.00 0.00 H new ATOM 0 HD3 LYS A 86 8.748 3.173 -16.287 1.00 0.00 H new ATOM 0 HE2 LYS A 86 6.232 4.438 -17.342 1.00 0.00 H new ATOM 0 HE3 LYS A 86 7.493 5.494 -16.738 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 7.744 5.093 -19.099 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 9.066 4.440 -18.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 7.844 3.417 -18.843 1.00 0.00 H new ATOM 1288 N ILE A 87 4.070 2.938 -12.234 1.00 0.00 N ATOM 1289 CA ILE A 87 3.096 3.764 -11.530 1.00 0.00 C ATOM 1290 C ILE A 87 3.678 4.315 -10.233 1.00 0.00 C ATOM 1291 O ILE A 87 4.603 3.739 -9.661 1.00 0.00 O ATOM 1292 CB ILE A 87 1.814 2.973 -11.209 1.00 0.00 C ATOM 1293 CG1 ILE A 87 2.109 1.876 -10.184 1.00 0.00 C ATOM 1294 CG2 ILE A 87 1.229 2.374 -12.480 1.00 0.00 C ATOM 1295 CD1 ILE A 87 0.920 1.524 -9.317 1.00 0.00 C ATOM 0 H ILE A 87 4.434 2.157 -11.688 1.00 0.00 H new ATOM 0 HA ILE A 87 2.846 4.592 -12.194 1.00 0.00 H new ATOM 0 HB ILE A 87 1.080 3.656 -10.781 1.00 0.00 H new ATOM 0 HG12 ILE A 87 2.444 0.981 -10.708 1.00 0.00 H new ATOM 0 HG13 ILE A 87 2.931 2.198 -9.545 1.00 0.00 H new ATOM 0 HG21 ILE A 87 0.324 1.818 -12.237 1.00 0.00 H new ATOM 0 HG22 ILE A 87 0.987 3.173 -13.181 1.00 0.00 H new ATOM 0 HG23 ILE A 87 1.957 1.701 -12.934 1.00 0.00 H new ATOM 0 HD11 ILE A 87 1.202 0.740 -8.614 1.00 0.00 H new ATOM 0 HD12 ILE A 87 0.598 2.407 -8.765 1.00 0.00 H new ATOM 0 HD13 ILE A 87 0.103 1.171 -9.946 1.00 0.00 H new ATOM 1307 N ASP A 88 3.128 5.434 -9.774 1.00 0.00 N ATOM 1308 CA ASP A 88 3.590 6.063 -8.541 1.00 0.00 C ATOM 1309 C ASP A 88 3.868 5.015 -7.468 1.00 0.00 C ATOM 1310 O ASP A 88 3.006 4.198 -7.145 1.00 0.00 O ATOM 1311 CB ASP A 88 2.552 7.066 -8.036 1.00 0.00 C ATOM 1312 CG ASP A 88 3.179 8.202 -7.252 1.00 0.00 C ATOM 1313 OD1 ASP A 88 3.879 7.921 -6.256 1.00 0.00 O ATOM 1314 OD2 ASP A 88 2.971 9.372 -7.635 1.00 0.00 O ATOM 0 H ASP A 88 2.362 5.924 -10.236 1.00 0.00 H new ATOM 0 HA ASP A 88 4.519 6.591 -8.757 1.00 0.00 H new ATOM 0 HB2 ASP A 88 2.002 7.474 -8.884 1.00 0.00 H new ATOM 0 HB3 ASP A 88 1.828 6.549 -7.406 1.00 0.00 H new ATOM 1319 N VAL A 89 5.078 5.045 -6.919 1.00 0.00 N ATOM 1320 CA VAL A 89 5.471 4.098 -5.882 1.00 0.00 C ATOM 1321 C VAL A 89 4.460 4.083 -4.741 1.00 0.00 C ATOM 1322 O VAL A 89 4.163 3.031 -4.175 1.00 0.00 O ATOM 1323 CB VAL A 89 6.863 4.432 -5.315 1.00 0.00 C ATOM 1324 CG1 VAL A 89 6.887 5.845 -4.753 1.00 0.00 C ATOM 1325 CG2 VAL A 89 7.262 3.419 -4.252 1.00 0.00 C ATOM 0 H VAL A 89 5.803 5.715 -7.175 1.00 0.00 H new ATOM 0 HA VAL A 89 5.504 3.113 -6.348 1.00 0.00 H new ATOM 0 HB VAL A 89 7.589 4.378 -6.126 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.879 6.062 -4.357 1.00 0.00 H new ATOM 0 HG12 VAL A 89 6.649 6.555 -5.545 1.00 0.00 H new ATOM 0 HG13 VAL A 89 6.151 5.931 -3.954 1.00 0.00 H new ATOM 0 HG21 VAL A 89 8.248 3.670 -3.862 1.00 0.00 H new ATOM 0 HG22 VAL A 89 6.535 3.438 -3.440 1.00 0.00 H new ATOM 0 HG23 VAL A 89 7.289 2.422 -4.691 1.00 0.00 H new ATOM 1335 N ASN A 90 3.934 5.257 -4.408 1.00 0.00 N ATOM 1336 CA ASN A 90 2.955 5.379 -3.334 1.00 0.00 C ATOM 1337 C ASN A 90 1.782 4.429 -3.556 1.00 0.00 C ATOM 1338 O ASN A 90 1.004 4.161 -2.640 1.00 0.00 O ATOM 1339 CB ASN A 90 2.449 6.820 -3.238 1.00 0.00 C ATOM 1340 CG ASN A 90 3.468 7.751 -2.610 1.00 0.00 C ATOM 1341 OD1 ASN A 90 4.385 7.309 -1.918 1.00 0.00 O ATOM 1342 ND2 ASN A 90 3.311 9.047 -2.849 1.00 0.00 N ATOM 0 H ASN A 90 4.169 6.137 -4.866 1.00 0.00 H new ATOM 0 HA ASN A 90 3.444 5.110 -2.398 1.00 0.00 H new ATOM 0 HB2 ASN A 90 2.198 7.181 -4.235 1.00 0.00 H new ATOM 0 HB3 ASN A 90 1.531 6.841 -2.651 1.00 0.00 H new ATOM 0 HD21 ASN A 90 3.966 9.722 -2.453 1.00 0.00 H new ATOM 0 HD22 ASN A 90 2.536 9.368 -3.429 1.00 0.00 H new ATOM 1349 N LYS A 91 1.662 3.922 -4.778 1.00 0.00 N ATOM 1350 CA LYS A 91 0.586 3.001 -5.122 1.00 0.00 C ATOM 1351 C LYS A 91 0.987 1.560 -4.822 1.00 0.00 C ATOM 1352 O LYS A 91 0.452 0.933 -3.907 1.00 0.00 O ATOM 1353 CB LYS A 91 0.219 3.142 -6.601 1.00 0.00 C ATOM 1354 CG LYS A 91 -0.123 4.564 -7.010 1.00 0.00 C ATOM 1355 CD LYS A 91 -1.596 4.869 -6.790 1.00 0.00 C ATOM 1356 CE LYS A 91 -1.934 4.945 -5.309 1.00 0.00 C ATOM 1357 NZ LYS A 91 -3.095 5.840 -5.051 1.00 0.00 N ATOM 0 H LYS A 91 2.297 4.134 -5.547 1.00 0.00 H new ATOM 0 HA LYS A 91 -0.282 3.253 -4.513 1.00 0.00 H new ATOM 0 HB2 LYS A 91 1.052 2.789 -7.209 1.00 0.00 H new ATOM 0 HB3 LYS A 91 -0.631 2.496 -6.819 1.00 0.00 H new ATOM 0 HG2 LYS A 91 0.484 5.264 -6.436 1.00 0.00 H new ATOM 0 HG3 LYS A 91 0.127 4.711 -8.061 1.00 0.00 H new ATOM 0 HD2 LYS A 91 -1.849 5.814 -7.271 1.00 0.00 H new ATOM 0 HD3 LYS A 91 -2.203 4.098 -7.264 1.00 0.00 H new ATOM 0 HE2 LYS A 91 -2.156 3.945 -4.935 1.00 0.00 H new ATOM 0 HE3 LYS A 91 -1.067 5.307 -4.757 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 -2.859 6.503 -4.285 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 -3.320 6.374 -5.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 -3.918 5.269 -4.773 1.00 0.00 H new ATOM 1371 N THR A 92 1.933 1.040 -5.598 1.00 0.00 N ATOM 1372 CA THR A 92 2.406 -0.327 -5.415 1.00 0.00 C ATOM 1373 C THR A 92 2.768 -0.593 -3.958 1.00 0.00 C ATOM 1374 O THR A 92 2.570 -1.697 -3.451 1.00 0.00 O ATOM 1375 CB THR A 92 3.633 -0.620 -6.298 1.00 0.00 C ATOM 1376 OG1 THR A 92 4.279 -1.819 -5.858 1.00 0.00 O ATOM 1377 CG2 THR A 92 4.619 0.538 -6.256 1.00 0.00 C ATOM 0 H THR A 92 2.387 1.545 -6.359 1.00 0.00 H new ATOM 0 HA THR A 92 1.589 -0.986 -5.710 1.00 0.00 H new ATOM 0 HB THR A 92 3.291 -0.748 -7.325 1.00 0.00 H new ATOM 0 HG1 THR A 92 5.057 -1.999 -6.426 1.00 0.00 H new ATOM 0 HG21 THR A 92 5.477 0.308 -6.887 1.00 0.00 H new ATOM 0 HG22 THR A 92 4.133 1.443 -6.620 1.00 0.00 H new ATOM 0 HG23 THR A 92 4.954 0.694 -5.231 1.00 0.00 H new ATOM 1385 N ARG A 93 3.298 0.426 -3.289 1.00 0.00 N ATOM 1386 CA ARG A 93 3.688 0.301 -1.890 1.00 0.00 C ATOM 1387 C ARG A 93 2.653 -0.501 -1.106 1.00 0.00 C ATOM 1388 O ARG A 93 3.001 -1.333 -0.269 1.00 0.00 O ATOM 1389 CB ARG A 93 3.860 1.685 -1.261 1.00 0.00 C ATOM 1390 CG ARG A 93 5.267 2.244 -1.392 1.00 0.00 C ATOM 1391 CD ARG A 93 5.583 3.225 -0.275 1.00 0.00 C ATOM 1392 NE ARG A 93 6.041 2.548 0.936 1.00 0.00 N ATOM 1393 CZ ARG A 93 7.303 2.188 1.143 1.00 0.00 C ATOM 1394 NH1 ARG A 93 8.227 2.439 0.226 1.00 0.00 N ATOM 1395 NH2 ARG A 93 7.642 1.575 2.270 1.00 0.00 N ATOM 0 H ARG A 93 3.467 1.347 -3.693 1.00 0.00 H new ATOM 0 HA ARG A 93 4.639 -0.230 -1.850 1.00 0.00 H new ATOM 0 HB2 ARG A 93 3.159 2.376 -1.728 1.00 0.00 H new ATOM 0 HB3 ARG A 93 3.597 1.630 -0.205 1.00 0.00 H new ATOM 0 HG2 ARG A 93 5.988 1.426 -1.374 1.00 0.00 H new ATOM 0 HG3 ARG A 93 5.374 2.742 -2.356 1.00 0.00 H new ATOM 0 HD2 ARG A 93 6.349 3.923 -0.612 1.00 0.00 H new ATOM 0 HD3 ARG A 93 4.694 3.813 -0.047 1.00 0.00 H new ATOM 0 HE ARG A 93 5.355 2.341 1.662 1.00 0.00 H new ATOM 0 HH11 ARG A 93 7.970 2.910 -0.642 1.00 0.00 H new ATOM 0 HH12 ARG A 93 9.195 2.161 0.388 1.00 0.00 H new ATOM 0 HH21 ARG A 93 6.934 1.380 2.978 1.00 0.00 H new ATOM 0 HH22 ARG A 93 8.611 1.299 2.429 1.00 0.00 H new ATOM 1409 N LYS A 94 1.379 -0.244 -1.384 1.00 0.00 N ATOM 1410 CA LYS A 94 0.292 -0.941 -0.707 1.00 0.00 C ATOM 1411 C LYS A 94 0.121 -2.351 -1.263 1.00 0.00 C ATOM 1412 O LYS A 94 -0.152 -3.293 -0.518 1.00 0.00 O ATOM 1413 CB LYS A 94 -1.015 -0.160 -0.858 1.00 0.00 C ATOM 1414 CG LYS A 94 -0.861 1.333 -0.624 1.00 0.00 C ATOM 1415 CD LYS A 94 -1.057 1.691 0.840 1.00 0.00 C ATOM 1416 CE LYS A 94 -0.775 3.163 1.096 1.00 0.00 C ATOM 1417 NZ LYS A 94 0.655 3.402 1.436 1.00 0.00 N ATOM 0 H LYS A 94 1.074 0.442 -2.074 1.00 0.00 H new ATOM 0 HA LYS A 94 0.544 -1.014 0.351 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -1.413 -0.323 -1.860 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -1.748 -0.556 -0.155 1.00 0.00 H new ATOM 0 HG2 LYS A 94 0.129 1.653 -0.948 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -1.586 1.874 -1.232 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -2.079 1.458 1.139 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -0.397 1.080 1.456 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -1.040 3.743 0.212 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -1.406 3.518 1.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 0.807 4.417 1.603 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 0.902 2.869 2.294 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 1.256 3.087 0.648 1.00 0.00 H new ATOM 1431 N ILE A 95 0.284 -2.489 -2.574 1.00 0.00 N ATOM 1432 CA ILE A 95 0.150 -3.785 -3.228 1.00 0.00 C ATOM 1433 C ILE A 95 1.299 -4.714 -2.849 1.00 0.00 C ATOM 1434 O ILE A 95 1.095 -5.732 -2.188 1.00 0.00 O ATOM 1435 CB ILE A 95 0.106 -3.641 -4.761 1.00 0.00 C ATOM 1436 CG1 ILE A 95 -0.901 -2.562 -5.164 1.00 0.00 C ATOM 1437 CG2 ILE A 95 -0.248 -4.972 -5.408 1.00 0.00 C ATOM 1438 CD1 ILE A 95 -0.960 -2.318 -6.656 1.00 0.00 C ATOM 0 H ILE A 95 0.509 -1.719 -3.205 1.00 0.00 H new ATOM 0 HA ILE A 95 -0.791 -4.215 -2.885 1.00 0.00 H new ATOM 0 HB ILE A 95 1.093 -3.340 -5.112 1.00 0.00 H new ATOM 0 HG12 ILE A 95 -1.891 -2.851 -4.812 1.00 0.00 H new ATOM 0 HG13 ILE A 95 -0.643 -1.630 -4.661 1.00 0.00 H new ATOM 0 HG21 ILE A 95 -0.275 -4.854 -6.491 1.00 0.00 H new ATOM 0 HG22 ILE A 95 0.503 -5.717 -5.143 1.00 0.00 H new ATOM 0 HG23 ILE A 95 -1.225 -5.300 -5.054 1.00 0.00 H new ATOM 0 HD11 ILE A 95 -1.694 -1.541 -6.869 1.00 0.00 H new ATOM 0 HD12 ILE A 95 0.020 -1.999 -7.011 1.00 0.00 H new ATOM 0 HD13 ILE A 95 -1.248 -3.238 -7.164 1.00 0.00 H new ATOM 1450 N TYR A 96 2.506 -4.355 -3.271 1.00 0.00 N ATOM 1451 CA TYR A 96 3.688 -5.156 -2.976 1.00 0.00 C ATOM 1452 C TYR A 96 3.576 -5.807 -1.601 1.00 0.00 C ATOM 1453 O TYR A 96 3.465 -7.028 -1.488 1.00 0.00 O ATOM 1454 CB TYR A 96 4.947 -4.289 -3.041 1.00 0.00 C ATOM 1455 CG TYR A 96 6.214 -5.034 -2.689 1.00 0.00 C ATOM 1456 CD1 TYR A 96 6.726 -6.011 -3.534 1.00 0.00 C ATOM 1457 CD2 TYR A 96 6.901 -4.760 -1.513 1.00 0.00 C ATOM 1458 CE1 TYR A 96 7.883 -6.695 -3.216 1.00 0.00 C ATOM 1459 CE2 TYR A 96 8.060 -5.438 -1.188 1.00 0.00 C ATOM 1460 CZ TYR A 96 8.547 -6.405 -2.042 1.00 0.00 C ATOM 1461 OH TYR A 96 9.701 -7.083 -1.723 1.00 0.00 O ATOM 0 H TYR A 96 2.692 -3.515 -3.818 1.00 0.00 H new ATOM 0 HA TYR A 96 3.758 -5.944 -3.726 1.00 0.00 H new ATOM 0 HB2 TYR A 96 5.044 -3.879 -4.046 1.00 0.00 H new ATOM 0 HB3 TYR A 96 4.832 -3.444 -2.362 1.00 0.00 H new ATOM 0 HD1 TYR A 96 6.210 -6.239 -4.455 1.00 0.00 H new ATOM 0 HD2 TYR A 96 6.522 -4.004 -0.841 1.00 0.00 H new ATOM 0 HE1 TYR A 96 8.266 -7.453 -3.883 1.00 0.00 H new ATOM 0 HE2 TYR A 96 8.582 -5.212 -0.270 1.00 0.00 H new ATOM 0 HH TYR A 96 9.899 -7.740 -2.423 1.00 0.00 H new ATOM 1471 N ASP A 97 3.605 -4.984 -0.560 1.00 0.00 N ATOM 1472 CA ASP A 97 3.505 -5.478 0.809 1.00 0.00 C ATOM 1473 C ASP A 97 2.487 -6.610 0.905 1.00 0.00 C ATOM 1474 O ASP A 97 2.827 -7.735 1.273 1.00 0.00 O ATOM 1475 CB ASP A 97 3.114 -4.343 1.756 1.00 0.00 C ATOM 1476 CG ASP A 97 3.191 -4.753 3.214 1.00 0.00 C ATOM 1477 OD1 ASP A 97 2.690 -5.846 3.549 1.00 0.00 O ATOM 1478 OD2 ASP A 97 3.751 -3.980 4.020 1.00 0.00 O ATOM 0 H ASP A 97 3.697 -3.971 -0.637 1.00 0.00 H new ATOM 0 HA ASP A 97 4.481 -5.865 1.102 1.00 0.00 H new ATOM 0 HB2 ASP A 97 3.771 -3.490 1.586 1.00 0.00 H new ATOM 0 HB3 ASP A 97 2.100 -4.015 1.527 1.00 0.00 H new ATOM 1483 N PHE A 98 1.237 -6.305 0.571 1.00 0.00 N ATOM 1484 CA PHE A 98 0.169 -7.296 0.622 1.00 0.00 C ATOM 1485 C PHE A 98 0.625 -8.619 0.013 1.00 0.00 C ATOM 1486 O PHE A 98 0.418 -9.687 0.592 1.00 0.00 O ATOM 1487 CB PHE A 98 -1.068 -6.782 -0.117 1.00 0.00 C ATOM 1488 CG PHE A 98 -2.197 -7.772 -0.157 1.00 0.00 C ATOM 1489 CD1 PHE A 98 -3.041 -7.924 0.931 1.00 0.00 C ATOM 1490 CD2 PHE A 98 -2.414 -8.551 -1.282 1.00 0.00 C ATOM 1491 CE1 PHE A 98 -4.082 -8.833 0.898 1.00 0.00 C ATOM 1492 CE2 PHE A 98 -3.453 -9.461 -1.321 1.00 0.00 C ATOM 1493 CZ PHE A 98 -4.287 -9.604 -0.229 1.00 0.00 C ATOM 0 H PHE A 98 0.939 -5.380 0.262 1.00 0.00 H new ATOM 0 HA PHE A 98 -0.085 -7.466 1.668 1.00 0.00 H new ATOM 0 HB2 PHE A 98 -1.414 -5.867 0.364 1.00 0.00 H new ATOM 0 HB3 PHE A 98 -0.789 -6.520 -1.138 1.00 0.00 H new ATOM 0 HD1 PHE A 98 -2.884 -7.325 1.816 1.00 0.00 H new ATOM 0 HD2 PHE A 98 -1.764 -8.446 -2.138 1.00 0.00 H new ATOM 0 HE1 PHE A 98 -4.734 -8.940 1.752 1.00 0.00 H new ATOM 0 HE2 PHE A 98 -3.613 -10.060 -2.205 1.00 0.00 H new ATOM 0 HZ PHE A 98 -5.098 -10.317 -0.257 1.00 0.00 H new ATOM 1503 N LEU A 99 1.248 -8.541 -1.158 1.00 0.00 N ATOM 1504 CA LEU A 99 1.734 -9.732 -1.847 1.00 0.00 C ATOM 1505 C LEU A 99 2.831 -10.418 -1.039 1.00 0.00 C ATOM 1506 O LEU A 99 2.893 -11.647 -0.978 1.00 0.00 O ATOM 1507 CB LEU A 99 2.262 -9.362 -3.234 1.00 0.00 C ATOM 1508 CG LEU A 99 1.233 -8.799 -4.216 1.00 0.00 C ATOM 1509 CD1 LEU A 99 1.909 -8.369 -5.508 1.00 0.00 C ATOM 1510 CD2 LEU A 99 0.146 -9.826 -4.496 1.00 0.00 C ATOM 0 H LEU A 99 1.429 -7.666 -1.650 1.00 0.00 H new ATOM 0 HA LEU A 99 0.900 -10.426 -1.955 1.00 0.00 H new ATOM 0 HB2 LEU A 99 3.059 -8.628 -3.114 1.00 0.00 H new ATOM 0 HB3 LEU A 99 2.711 -10.250 -3.679 1.00 0.00 H new ATOM 0 HG LEU A 99 0.769 -7.923 -3.764 1.00 0.00 H new ATOM 0 HD11 LEU A 99 1.162 -7.971 -6.195 1.00 0.00 H new ATOM 0 HD12 LEU A 99 2.650 -7.599 -5.292 1.00 0.00 H new ATOM 0 HD13 LEU A 99 2.401 -9.228 -5.965 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -0.577 -9.408 -5.196 1.00 0.00 H new ATOM 0 HD22 LEU A 99 0.594 -10.721 -4.927 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -0.358 -10.085 -3.565 1.00 0.00 H new ATOM 1522 N ILE A 100 3.691 -9.618 -0.419 1.00 0.00 N ATOM 1523 CA ILE A 100 4.783 -10.149 0.387 1.00 0.00 C ATOM 1524 C ILE A 100 4.252 -10.946 1.574 1.00 0.00 C ATOM 1525 O ILE A 100 4.763 -12.020 1.892 1.00 0.00 O ATOM 1526 CB ILE A 100 5.698 -9.024 0.907 1.00 0.00 C ATOM 1527 CG1 ILE A 100 6.403 -8.331 -0.261 1.00 0.00 C ATOM 1528 CG2 ILE A 100 6.715 -9.581 1.891 1.00 0.00 C ATOM 1529 CD1 ILE A 100 7.504 -9.162 -0.882 1.00 0.00 C ATOM 0 H ILE A 100 3.653 -8.600 -0.459 1.00 0.00 H new ATOM 0 HA ILE A 100 5.362 -10.807 -0.261 1.00 0.00 H new ATOM 0 HB ILE A 100 5.085 -8.287 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 100 5.666 -8.088 -1.027 1.00 0.00 H new ATOM 0 HG13 ILE A 100 6.824 -7.388 0.087 1.00 0.00 H new ATOM 0 HG21 ILE A 100 7.354 -8.774 2.249 1.00 0.00 H new ATOM 0 HG22 ILE A 100 6.195 -10.034 2.735 1.00 0.00 H new ATOM 0 HG23 ILE A 100 7.326 -10.335 1.395 1.00 0.00 H new ATOM 0 HD11 ILE A 100 7.959 -8.608 -1.703 1.00 0.00 H new ATOM 0 HD12 ILE A 100 8.261 -9.383 -0.130 1.00 0.00 H new ATOM 0 HD13 ILE A 100 7.086 -10.095 -1.261 1.00 0.00 H new ATOM 1541 N ARG A 101 3.223 -10.413 2.226 1.00 0.00 N ATOM 1542 CA ARG A 101 2.623 -11.075 3.377 1.00 0.00 C ATOM 1543 C ARG A 101 1.711 -12.216 2.935 1.00 0.00 C ATOM 1544 O ARG A 101 1.440 -13.139 3.702 1.00 0.00 O ATOM 1545 CB ARG A 101 1.829 -10.069 4.213 1.00 0.00 C ATOM 1546 CG ARG A 101 0.818 -9.270 3.407 1.00 0.00 C ATOM 1547 CD ARG A 101 -0.156 -8.531 4.311 1.00 0.00 C ATOM 1548 NE ARG A 101 0.385 -7.254 4.771 1.00 0.00 N ATOM 1549 CZ ARG A 101 1.177 -7.131 5.830 1.00 0.00 C ATOM 1550 NH1 ARG A 101 1.519 -8.200 6.535 1.00 0.00 N ATOM 1551 NH2 ARG A 101 1.629 -5.935 6.186 1.00 0.00 N ATOM 0 H ARG A 101 2.788 -9.525 1.976 1.00 0.00 H new ATOM 0 HA ARG A 101 3.427 -11.490 3.985 1.00 0.00 H new ATOM 0 HB2 ARG A 101 1.307 -10.602 5.008 1.00 0.00 H new ATOM 0 HB3 ARG A 101 2.524 -9.380 4.693 1.00 0.00 H new ATOM 0 HG2 ARG A 101 1.341 -8.555 2.772 1.00 0.00 H new ATOM 0 HG3 ARG A 101 0.267 -9.939 2.747 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -1.088 -8.357 3.774 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.396 -9.155 5.172 1.00 0.00 H new ATOM 0 HE ARG A 101 0.141 -6.411 4.251 1.00 0.00 H new ATOM 0 HH11 ARG A 101 1.174 -9.121 6.265 1.00 0.00 H new ATOM 0 HH12 ARG A 101 2.127 -8.102 7.348 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.368 -5.110 5.646 1.00 0.00 H new ATOM 0 HH22 ARG A 101 2.237 -5.841 6.999 1.00 0.00 H new ATOM 1565 N GLU A 102 1.243 -12.144 1.693 1.00 0.00 N ATOM 1566 CA GLU A 102 0.361 -13.171 1.149 1.00 0.00 C ATOM 1567 C GLU A 102 1.155 -14.408 0.739 1.00 0.00 C ATOM 1568 O GLU A 102 0.589 -15.479 0.525 1.00 0.00 O ATOM 1569 CB GLU A 102 -0.412 -12.626 -0.053 1.00 0.00 C ATOM 1570 CG GLU A 102 -1.645 -11.824 0.329 1.00 0.00 C ATOM 1571 CD GLU A 102 -2.805 -12.704 0.754 1.00 0.00 C ATOM 1572 OE1 GLU A 102 -3.156 -13.630 -0.007 1.00 0.00 O ATOM 1573 OE2 GLU A 102 -3.361 -12.466 1.846 1.00 0.00 O ATOM 0 H GLU A 102 1.459 -11.387 1.045 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.347 -13.456 1.928 1.00 0.00 H new ATOM 0 HB2 GLU A 102 0.251 -11.996 -0.646 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.713 -13.459 -0.689 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -1.393 -11.143 1.142 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -1.951 -11.210 -0.518 1.00 0.00 H new ATOM 1580 N GLY A 103 2.471 -14.251 0.631 1.00 0.00 N ATOM 1581 CA GLY A 103 3.321 -15.362 0.246 1.00 0.00 C ATOM 1582 C GLY A 103 3.388 -15.548 -1.257 1.00 0.00 C ATOM 1583 O GLY A 103 3.549 -16.667 -1.744 1.00 0.00 O ATOM 0 H GLY A 103 2.963 -13.374 0.803 1.00 0.00 H new ATOM 0 HA2 GLY A 103 4.326 -15.197 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 103 2.948 -16.277 0.706 1.00 0.00 H new ATOM 1587 N TYR A 104 3.262 -14.449 -1.993 1.00 0.00 N ATOM 1588 CA TYR A 104 3.305 -14.497 -3.450 1.00 0.00 C ATOM 1589 C TYR A 104 4.700 -14.153 -3.965 1.00 0.00 C ATOM 1590 O TYR A 104 5.197 -14.775 -4.904 1.00 0.00 O ATOM 1591 CB TYR A 104 2.278 -13.531 -4.043 1.00 0.00 C ATOM 1592 CG TYR A 104 0.855 -14.036 -3.961 1.00 0.00 C ATOM 1593 CD1 TYR A 104 0.443 -15.133 -4.707 1.00 0.00 C ATOM 1594 CD2 TYR A 104 -0.077 -13.415 -3.139 1.00 0.00 C ATOM 1595 CE1 TYR A 104 -0.857 -15.597 -4.637 1.00 0.00 C ATOM 1596 CE2 TYR A 104 -1.378 -13.873 -3.060 1.00 0.00 C ATOM 1597 CZ TYR A 104 -1.763 -14.964 -3.811 1.00 0.00 C ATOM 1598 OH TYR A 104 -3.058 -15.423 -3.738 1.00 0.00 O ATOM 0 H TYR A 104 3.129 -13.515 -1.605 1.00 0.00 H new ATOM 0 HA TYR A 104 3.062 -15.513 -3.763 1.00 0.00 H new ATOM 0 HB2 TYR A 104 2.346 -12.576 -3.522 1.00 0.00 H new ATOM 0 HB3 TYR A 104 2.529 -13.343 -5.087 1.00 0.00 H new ATOM 0 HD1 TYR A 104 1.151 -15.632 -5.353 1.00 0.00 H new ATOM 0 HD2 TYR A 104 0.221 -12.559 -2.551 1.00 0.00 H new ATOM 0 HE1 TYR A 104 -1.162 -16.450 -5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 104 -2.089 -13.380 -2.414 1.00 0.00 H new ATOM 0 HH TYR A 104 -3.567 -14.868 -3.111 1.00 0.00 H new ATOM 1608 N ILE A 105 5.325 -13.159 -3.343 1.00 0.00 N ATOM 1609 CA ILE A 105 6.662 -12.733 -3.736 1.00 0.00 C ATOM 1610 C ILE A 105 7.591 -12.653 -2.530 1.00 0.00 C ATOM 1611 O ILE A 105 7.145 -12.717 -1.383 1.00 0.00 O ATOM 1612 CB ILE A 105 6.632 -11.363 -4.439 1.00 0.00 C ATOM 1613 CG1 ILE A 105 5.770 -10.378 -3.648 1.00 0.00 C ATOM 1614 CG2 ILE A 105 6.110 -11.508 -5.861 1.00 0.00 C ATOM 1615 CD1 ILE A 105 5.747 -8.985 -4.238 1.00 0.00 C ATOM 0 H ILE A 105 4.927 -12.634 -2.565 1.00 0.00 H new ATOM 0 HA ILE A 105 7.039 -13.482 -4.432 1.00 0.00 H new ATOM 0 HB ILE A 105 7.649 -10.973 -4.484 1.00 0.00 H new ATOM 0 HG12 ILE A 105 4.750 -10.759 -3.598 1.00 0.00 H new ATOM 0 HG13 ILE A 105 6.141 -10.324 -2.624 1.00 0.00 H new ATOM 0 HG21 ILE A 105 6.095 -10.531 -6.344 1.00 0.00 H new ATOM 0 HG22 ILE A 105 6.761 -12.180 -6.421 1.00 0.00 H new ATOM 0 HG23 ILE A 105 5.100 -11.917 -5.838 1.00 0.00 H new ATOM 0 HD11 ILE A 105 5.116 -8.341 -3.625 1.00 0.00 H new ATOM 0 HD12 ILE A 105 6.760 -8.584 -4.263 1.00 0.00 H new ATOM 0 HD13 ILE A 105 5.348 -9.026 -5.251 1.00 0.00 H new ATOM 1627 N THR A 106 8.886 -12.509 -2.795 1.00 0.00 N ATOM 1628 CA THR A 106 9.878 -12.419 -1.731 1.00 0.00 C ATOM 1629 C THR A 106 10.528 -11.040 -1.701 1.00 0.00 C ATOM 1630 O THR A 106 10.517 -10.315 -2.696 1.00 0.00 O ATOM 1631 CB THR A 106 10.975 -13.488 -1.895 1.00 0.00 C ATOM 1632 OG1 THR A 106 10.381 -14.766 -2.144 1.00 0.00 O ATOM 1633 CG2 THR A 106 11.848 -13.562 -0.651 1.00 0.00 C ATOM 0 H THR A 106 9.272 -12.452 -3.737 1.00 0.00 H new ATOM 0 HA THR A 106 9.352 -12.590 -0.792 1.00 0.00 H new ATOM 0 HB THR A 106 11.600 -13.208 -2.743 1.00 0.00 H new ATOM 0 HG1 THR A 106 11.085 -15.439 -2.249 1.00 0.00 H new ATOM 0 HG21 THR A 106 12.615 -14.323 -0.790 1.00 0.00 H new ATOM 0 HG22 THR A 106 12.322 -12.595 -0.481 1.00 0.00 H new ATOM 0 HG23 THR A 106 11.232 -13.820 0.211 1.00 0.00 H new ATOM 1641 N LYS A 107 11.094 -10.683 -0.553 1.00 0.00 N ATOM 1642 CA LYS A 107 11.751 -9.392 -0.393 1.00 0.00 C ATOM 1643 C LYS A 107 13.164 -9.425 -0.966 1.00 0.00 C ATOM 1644 O LYS A 107 14.010 -10.196 -0.512 1.00 0.00 O ATOM 1645 CB LYS A 107 11.798 -9.000 1.086 1.00 0.00 C ATOM 1646 CG LYS A 107 11.775 -7.500 1.319 1.00 0.00 C ATOM 1647 CD LYS A 107 10.355 -6.978 1.458 1.00 0.00 C ATOM 1648 CE LYS A 107 10.329 -5.464 1.602 1.00 0.00 C ATOM 1649 NZ LYS A 107 11.015 -5.014 2.845 1.00 0.00 N ATOM 0 H LYS A 107 11.111 -11.270 0.281 1.00 0.00 H new ATOM 0 HA LYS A 107 11.173 -8.648 -0.942 1.00 0.00 H new ATOM 0 HB2 LYS A 107 10.950 -9.452 1.600 1.00 0.00 H new ATOM 0 HB3 LYS A 107 12.701 -9.415 1.535 1.00 0.00 H new ATOM 0 HG2 LYS A 107 12.341 -7.262 2.220 1.00 0.00 H new ATOM 0 HG3 LYS A 107 12.270 -6.995 0.490 1.00 0.00 H new ATOM 0 HD2 LYS A 107 9.771 -7.272 0.585 1.00 0.00 H new ATOM 0 HD3 LYS A 107 9.882 -7.435 2.327 1.00 0.00 H new ATOM 0 HE2 LYS A 107 10.810 -5.008 0.736 1.00 0.00 H new ATOM 0 HE3 LYS A 107 9.296 -5.118 1.612 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 10.846 -3.998 2.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 10.642 -5.544 3.659 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 12.037 -5.186 2.759 1.00 0.00 H new ATOM 1663 N ALA A 108 13.413 -8.585 -1.964 1.00 0.00 N ATOM 1664 CA ALA A 108 14.725 -8.516 -2.596 1.00 0.00 C ATOM 1665 C ALA A 108 15.627 -7.515 -1.883 1.00 0.00 C ATOM 1666 O ALA A 108 16.752 -7.840 -1.502 1.00 0.00 O ATOM 1667 CB ALA A 108 14.584 -8.148 -4.066 1.00 0.00 C ATOM 0 H ALA A 108 12.723 -7.942 -2.353 1.00 0.00 H new ATOM 0 HA ALA A 108 15.188 -9.500 -2.521 1.00 0.00 H new ATOM 0 HB1 ALA A 108 15.571 -8.100 -4.525 1.00 0.00 H new ATOM 0 HB2 ALA A 108 13.984 -8.903 -4.574 1.00 0.00 H new ATOM 0 HB3 ALA A 108 14.096 -7.177 -4.153 1.00 0.00 H new