USER MOD reduce.3.24.130724 H: found=0, std=0, add=591, rem=0, adj=17 USER MOD reduce.3.24.130724 removed 592 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 33 THR OG1 : rot 66:sc= 1.41 USER MOD Set 1.2: A 43 LYS NZ :NH3+ 152:sc= 0.933 (180deg=-0.727!) USER MOD Single : A 27 MET CE :methyl -138:sc= -0.575 (180deg=-0.987) USER MOD Single : A 30 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 36 SER OG : rot 180:sc= -0.396 USER MOD Single : A 39 SER OG : rot 81:sc= -0.403 USER MOD Single : A 47 SER OG : rot 180:sc= -0.152 USER MOD Single : A 50 SER OG : rot -160:sc= -0.184 USER MOD Single : A 52 MET CE :methyl 179:sc= -0.58 (180deg=-0.588) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 SER OG : rot 80:sc= 0.372 USER MOD Single : A 66 SER OG : rot 170:sc= 0.154 USER MOD Single : A 68 LYS NZ :NH3+ 148:sc= 0.137 (180deg=-1.51) USER MOD Single : A 71 LYS NZ :NH3+ -153:sc= -0.984 (180deg=-2.52!) USER MOD Single : A 76 THR OG1 : rot 140:sc= -0.504 USER MOD Single : A 87 THR OG1 : rot 180:sc= -0.152 USER MOD Single : A 93 GLN : amide:sc= 0.413 K(o=0.41,f=-0.33) USER MOD Single : A 97 LYS NZ :NH3+ 172:sc= 0.297 (180deg=0.286) USER MOD Single : A 98 HIS : no HE2:sc= -0.783 X(o=-0.78,f=-0.9) USER MOD ----------------------------------------------------------------- ATOM 392 N MET A 27 6.662 -9.656 -1.952 1.00 0.00 N ATOM 393 CA MET A 27 5.929 -8.508 -1.387 1.00 0.00 C ATOM 394 C MET A 27 5.328 -7.659 -2.522 1.00 0.00 C ATOM 395 O MET A 27 4.213 -7.179 -2.392 1.00 0.00 O ATOM 396 CB MET A 27 6.881 -7.640 -0.511 1.00 0.00 C ATOM 397 CG MET A 27 6.190 -6.583 0.383 1.00 0.00 C ATOM 398 SD MET A 27 5.387 -5.237 -0.520 1.00 0.00 S ATOM 399 CE MET A 27 6.788 -4.364 -1.213 1.00 0.00 C ATOM 0 HA MET A 27 5.120 -8.880 -0.758 1.00 0.00 H new ATOM 0 HB2 MET A 27 7.464 -8.304 0.127 1.00 0.00 H new ATOM 0 HB3 MET A 27 7.585 -7.129 -1.168 1.00 0.00 H new ATOM 0 HG2 MET A 27 5.445 -7.082 1.002 1.00 0.00 H new ATOM 0 HG3 MET A 27 6.932 -6.157 1.058 1.00 0.00 H new ATOM 0 HE1 MET A 27 6.630 -3.290 -1.119 1.00 0.00 H new ATOM 0 HE2 MET A 27 7.694 -4.646 -0.677 1.00 0.00 H new ATOM 0 HE3 MET A 27 6.894 -4.624 -2.266 1.00 0.00 H new ATOM 409 N GLU A 28 6.070 -7.530 -3.647 1.00 0.00 N ATOM 410 CA GLU A 28 5.779 -6.536 -4.706 1.00 0.00 C ATOM 411 C GLU A 28 4.439 -6.812 -5.419 1.00 0.00 C ATOM 412 O GLU A 28 3.511 -6.003 -5.342 1.00 0.00 O ATOM 413 CB GLU A 28 6.951 -6.503 -5.722 1.00 0.00 C ATOM 414 CG GLU A 28 6.835 -5.422 -6.821 1.00 0.00 C ATOM 415 CD GLU A 28 8.047 -5.386 -7.767 1.00 0.00 C ATOM 416 OE1 GLU A 28 9.119 -4.887 -7.349 1.00 0.00 O ATOM 417 OE2 GLU A 28 7.948 -5.868 -8.919 1.00 0.00 O ATOM 0 H GLU A 28 6.885 -8.111 -3.845 1.00 0.00 H new ATOM 0 HA GLU A 28 5.681 -5.559 -4.232 1.00 0.00 H new ATOM 0 HB2 GLU A 28 7.881 -6.345 -5.176 1.00 0.00 H new ATOM 0 HB3 GLU A 28 7.024 -7.480 -6.201 1.00 0.00 H new ATOM 0 HG2 GLU A 28 5.932 -5.602 -7.405 1.00 0.00 H new ATOM 0 HG3 GLU A 28 6.721 -4.446 -6.350 1.00 0.00 H new ATOM 424 N ASP A 29 4.346 -7.969 -6.093 1.00 0.00 N ATOM 425 CA ASP A 29 3.118 -8.411 -6.806 1.00 0.00 C ATOM 426 C ASP A 29 1.931 -8.539 -5.828 1.00 0.00 C ATOM 427 O ASP A 29 0.785 -8.247 -6.190 1.00 0.00 O ATOM 428 CB ASP A 29 3.373 -9.770 -7.526 1.00 0.00 C ATOM 429 CG ASP A 29 2.131 -10.343 -8.243 1.00 0.00 C ATOM 430 OD1 ASP A 29 1.854 -9.928 -9.386 1.00 0.00 O ATOM 431 OD2 ASP A 29 1.397 -11.166 -7.650 1.00 0.00 O ATOM 0 H ASP A 29 5.118 -8.632 -6.164 1.00 0.00 H new ATOM 0 HA ASP A 29 2.866 -7.658 -7.552 1.00 0.00 H new ATOM 0 HB2 ASP A 29 4.173 -9.639 -8.255 1.00 0.00 H new ATOM 0 HB3 ASP A 29 3.725 -10.497 -6.794 1.00 0.00 H new ATOM 436 N HIS A 30 2.232 -8.963 -4.585 1.00 0.00 N ATOM 437 CA HIS A 30 1.227 -9.116 -3.509 1.00 0.00 C ATOM 438 C HIS A 30 0.681 -7.756 -3.046 1.00 0.00 C ATOM 439 O HIS A 30 -0.504 -7.650 -2.748 1.00 0.00 O ATOM 440 CB HIS A 30 1.818 -9.913 -2.318 1.00 0.00 C ATOM 441 CG HIS A 30 1.997 -11.371 -2.622 1.00 0.00 C ATOM 442 ND1 HIS A 30 3.063 -11.869 -3.322 1.00 0.00 N ATOM 443 CD2 HIS A 30 1.207 -12.436 -2.348 1.00 0.00 C ATOM 444 CE1 HIS A 30 2.926 -13.166 -3.475 1.00 0.00 C ATOM 445 NE2 HIS A 30 1.809 -13.536 -2.891 1.00 0.00 N ATOM 0 H HIS A 30 3.179 -9.210 -4.296 1.00 0.00 H new ATOM 0 HA HIS A 30 0.388 -9.680 -3.917 1.00 0.00 H new ATOM 0 HB2 HIS A 30 2.781 -9.484 -2.042 1.00 0.00 H new ATOM 0 HB3 HIS A 30 1.162 -9.805 -1.454 1.00 0.00 H new ATOM 0 HD2 HIS A 30 0.275 -12.419 -1.802 1.00 0.00 H new ATOM 0 HE1 HIS A 30 3.614 -13.818 -3.993 1.00 0.00 H new ATOM 0 HE2 HIS A 30 1.449 -14.490 -2.850 1.00 0.00 H new ATOM 454 N LEU A 31 1.546 -6.722 -3.030 1.00 0.00 N ATOM 455 CA LEU A 31 1.151 -5.344 -2.665 1.00 0.00 C ATOM 456 C LEU A 31 0.297 -4.748 -3.789 1.00 0.00 C ATOM 457 O LEU A 31 -0.650 -4.018 -3.531 1.00 0.00 O ATOM 458 CB LEU A 31 2.389 -4.446 -2.397 1.00 0.00 C ATOM 459 CG LEU A 31 2.087 -2.968 -1.962 1.00 0.00 C ATOM 460 CD1 LEU A 31 1.298 -2.907 -0.628 1.00 0.00 C ATOM 461 CD2 LEU A 31 3.386 -2.131 -1.879 1.00 0.00 C ATOM 0 H LEU A 31 2.533 -6.816 -3.268 1.00 0.00 H new ATOM 0 HA LEU A 31 0.572 -5.385 -1.742 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.992 -4.916 -1.620 1.00 0.00 H new ATOM 0 HB3 LEU A 31 2.997 -4.420 -3.301 1.00 0.00 H new ATOM 0 HG LEU A 31 1.453 -2.530 -2.733 1.00 0.00 H new ATOM 0 HD11 LEU A 31 1.110 -1.866 -0.364 1.00 0.00 H new ATOM 0 HD12 LEU A 31 0.348 -3.429 -0.743 1.00 0.00 H new ATOM 0 HD13 LEU A 31 1.880 -3.382 0.161 1.00 0.00 H new ATOM 0 HD21 LEU A 31 3.144 -1.113 -1.575 1.00 0.00 H new ATOM 0 HD22 LEU A 31 4.060 -2.577 -1.148 1.00 0.00 H new ATOM 0 HD23 LEU A 31 3.870 -2.113 -2.855 1.00 0.00 H new ATOM 473 N LEU A 32 0.656 -5.095 -5.036 1.00 0.00 N ATOM 474 CA LEU A 32 -0.087 -4.697 -6.248 1.00 0.00 C ATOM 475 C LEU A 32 -1.529 -5.270 -6.218 1.00 0.00 C ATOM 476 O LEU A 32 -2.488 -4.609 -6.644 1.00 0.00 O ATOM 477 CB LEU A 32 0.680 -5.194 -7.502 1.00 0.00 C ATOM 478 CG LEU A 32 0.156 -4.678 -8.880 1.00 0.00 C ATOM 479 CD1 LEU A 32 0.357 -3.149 -9.021 1.00 0.00 C ATOM 480 CD2 LEU A 32 0.814 -5.443 -10.054 1.00 0.00 C ATOM 0 H LEU A 32 1.478 -5.665 -5.235 1.00 0.00 H new ATOM 0 HA LEU A 32 -0.165 -3.610 -6.284 1.00 0.00 H new ATOM 0 HB2 LEU A 32 1.726 -4.902 -7.402 1.00 0.00 H new ATOM 0 HB3 LEU A 32 0.652 -6.284 -7.511 1.00 0.00 H new ATOM 0 HG LEU A 32 -0.916 -4.874 -8.919 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -0.018 -2.821 -9.991 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -0.188 -2.636 -8.229 1.00 0.00 H new ATOM 0 HD13 LEU A 32 1.418 -2.913 -8.943 1.00 0.00 H new ATOM 0 HD21 LEU A 32 0.428 -5.061 -10.999 1.00 0.00 H new ATOM 0 HD22 LEU A 32 1.894 -5.303 -10.020 1.00 0.00 H new ATOM 0 HD23 LEU A 32 0.583 -6.505 -9.971 1.00 0.00 H new ATOM 492 N THR A 33 -1.653 -6.506 -5.686 1.00 0.00 N ATOM 493 CA THR A 33 -2.948 -7.185 -5.476 1.00 0.00 C ATOM 494 C THR A 33 -3.737 -6.501 -4.333 1.00 0.00 C ATOM 495 O THR A 33 -4.952 -6.321 -4.429 1.00 0.00 O ATOM 496 CB THR A 33 -2.752 -8.709 -5.138 1.00 0.00 C ATOM 497 OG1 THR A 33 -1.836 -9.312 -6.067 1.00 0.00 O ATOM 498 CG2 THR A 33 -4.088 -9.488 -5.185 1.00 0.00 C ATOM 0 H THR A 33 -0.852 -7.063 -5.389 1.00 0.00 H new ATOM 0 HA THR A 33 -3.512 -7.108 -6.406 1.00 0.00 H new ATOM 0 HB THR A 33 -2.353 -8.761 -4.125 1.00 0.00 H new ATOM 0 HG1 THR A 33 -0.945 -8.921 -5.948 1.00 0.00 H new ATOM 0 HG21 THR A 33 -3.907 -10.536 -4.946 1.00 0.00 H new ATOM 0 HG22 THR A 33 -4.782 -9.065 -4.459 1.00 0.00 H new ATOM 0 HG23 THR A 33 -4.518 -9.413 -6.184 1.00 0.00 H new ATOM 506 N VAL A 34 -3.010 -6.110 -3.266 1.00 0.00 N ATOM 507 CA VAL A 34 -3.571 -5.380 -2.108 1.00 0.00 C ATOM 508 C VAL A 34 -4.173 -4.026 -2.559 1.00 0.00 C ATOM 509 O VAL A 34 -5.240 -3.633 -2.088 1.00 0.00 O ATOM 510 CB VAL A 34 -2.463 -5.187 -0.984 1.00 0.00 C ATOM 511 CG1 VAL A 34 -2.825 -4.094 0.043 1.00 0.00 C ATOM 512 CG2 VAL A 34 -2.165 -6.530 -0.260 1.00 0.00 C ATOM 0 H VAL A 34 -2.010 -6.293 -3.182 1.00 0.00 H new ATOM 0 HA VAL A 34 -4.379 -5.970 -1.676 1.00 0.00 H new ATOM 0 HB VAL A 34 -1.564 -4.850 -1.500 1.00 0.00 H new ATOM 0 HG11 VAL A 34 -2.029 -4.012 0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 34 -2.945 -3.139 -0.469 1.00 0.00 H new ATOM 0 HG13 VAL A 34 -3.758 -4.358 0.542 1.00 0.00 H new ATOM 0 HG21 VAL A 34 -1.404 -6.371 0.504 1.00 0.00 H new ATOM 0 HG22 VAL A 34 -3.077 -6.901 0.208 1.00 0.00 H new ATOM 0 HG23 VAL A 34 -1.805 -7.261 -0.984 1.00 0.00 H new ATOM 522 N LEU A 35 -3.489 -3.364 -3.507 1.00 0.00 N ATOM 523 CA LEU A 35 -3.933 -2.083 -4.097 1.00 0.00 C ATOM 524 C LEU A 35 -5.120 -2.286 -5.031 1.00 0.00 C ATOM 525 O LEU A 35 -5.976 -1.417 -5.130 1.00 0.00 O ATOM 526 CB LEU A 35 -2.766 -1.411 -4.852 1.00 0.00 C ATOM 527 CG LEU A 35 -1.552 -1.016 -3.963 1.00 0.00 C ATOM 528 CD1 LEU A 35 -0.380 -0.480 -4.815 1.00 0.00 C ATOM 529 CD2 LEU A 35 -1.985 -0.013 -2.860 1.00 0.00 C ATOM 0 H LEU A 35 -2.606 -3.702 -3.890 1.00 0.00 H new ATOM 0 HA LEU A 35 -4.254 -1.431 -3.285 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -2.421 -2.088 -5.634 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -3.141 -0.516 -5.348 1.00 0.00 H new ATOM 0 HG LEU A 35 -1.187 -1.913 -3.462 1.00 0.00 H new ATOM 0 HD11 LEU A 35 0.452 -0.213 -4.163 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -0.059 -1.250 -5.517 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -0.705 0.402 -5.367 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -1.122 0.251 -2.249 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -2.389 0.886 -3.324 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -2.748 -0.471 -2.231 1.00 0.00 H new ATOM 541 N SER A 36 -5.148 -3.433 -5.723 1.00 0.00 N ATOM 542 CA SER A 36 -6.269 -3.807 -6.605 1.00 0.00 C ATOM 543 C SER A 36 -7.579 -3.914 -5.804 1.00 0.00 C ATOM 544 O SER A 36 -8.647 -3.510 -6.277 1.00 0.00 O ATOM 545 CB SER A 36 -5.958 -5.140 -7.321 1.00 0.00 C ATOM 546 OG SER A 36 -6.990 -5.522 -8.217 1.00 0.00 O ATOM 0 H SER A 36 -4.400 -4.126 -5.690 1.00 0.00 H new ATOM 0 HA SER A 36 -6.396 -3.028 -7.357 1.00 0.00 H new ATOM 0 HB2 SER A 36 -5.020 -5.046 -7.869 1.00 0.00 H new ATOM 0 HB3 SER A 36 -5.816 -5.925 -6.578 1.00 0.00 H new ATOM 0 HG SER A 36 -6.752 -6.369 -8.649 1.00 0.00 H new ATOM 552 N VAL A 37 -7.462 -4.443 -4.578 1.00 0.00 N ATOM 553 CA VAL A 37 -8.589 -4.596 -3.646 1.00 0.00 C ATOM 554 C VAL A 37 -8.904 -3.251 -2.942 1.00 0.00 C ATOM 555 O VAL A 37 -10.068 -2.919 -2.732 1.00 0.00 O ATOM 556 CB VAL A 37 -8.274 -5.728 -2.588 1.00 0.00 C ATOM 557 CG1 VAL A 37 -9.452 -5.942 -1.608 1.00 0.00 C ATOM 558 CG2 VAL A 37 -7.903 -7.058 -3.300 1.00 0.00 C ATOM 0 H VAL A 37 -6.576 -4.780 -4.202 1.00 0.00 H new ATOM 0 HA VAL A 37 -9.472 -4.892 -4.213 1.00 0.00 H new ATOM 0 HB VAL A 37 -7.417 -5.397 -2.001 1.00 0.00 H new ATOM 0 HG11 VAL A 37 -9.196 -6.728 -0.897 1.00 0.00 H new ATOM 0 HG12 VAL A 37 -9.650 -5.015 -1.069 1.00 0.00 H new ATOM 0 HG13 VAL A 37 -10.341 -6.234 -2.166 1.00 0.00 H new ATOM 0 HG21 VAL A 37 -7.690 -7.823 -2.554 1.00 0.00 H new ATOM 0 HG22 VAL A 37 -8.736 -7.381 -3.924 1.00 0.00 H new ATOM 0 HG23 VAL A 37 -7.022 -6.904 -3.923 1.00 0.00 H new ATOM 568 N ALA A 38 -7.848 -2.475 -2.620 1.00 0.00 N ATOM 569 CA ALA A 38 -7.963 -1.197 -1.874 1.00 0.00 C ATOM 570 C ALA A 38 -8.599 -0.080 -2.734 1.00 0.00 C ATOM 571 O ALA A 38 -9.367 0.743 -2.226 1.00 0.00 O ATOM 572 CB ALA A 38 -6.579 -0.756 -1.359 1.00 0.00 C ATOM 0 H ALA A 38 -6.888 -2.714 -2.869 1.00 0.00 H new ATOM 0 HA ALA A 38 -8.624 -1.370 -1.025 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -6.676 0.183 -0.813 1.00 0.00 H new ATOM 0 HB2 ALA A 38 -6.177 -1.522 -0.695 1.00 0.00 H new ATOM 0 HB3 ALA A 38 -5.904 -0.617 -2.203 1.00 0.00 H new ATOM 578 N SER A 39 -8.269 -0.077 -4.038 1.00 0.00 N ATOM 579 CA SER A 39 -8.758 0.930 -5.003 1.00 0.00 C ATOM 580 C SER A 39 -10.091 0.480 -5.620 1.00 0.00 C ATOM 581 O SER A 39 -10.997 1.287 -5.816 1.00 0.00 O ATOM 582 CB SER A 39 -7.709 1.140 -6.126 1.00 0.00 C ATOM 583 OG SER A 39 -6.434 1.425 -5.596 1.00 0.00 O ATOM 0 H SER A 39 -7.653 -0.775 -4.456 1.00 0.00 H new ATOM 0 HA SER A 39 -8.914 1.870 -4.473 1.00 0.00 H new ATOM 0 HB2 SER A 39 -7.655 0.245 -6.746 1.00 0.00 H new ATOM 0 HB3 SER A 39 -8.026 1.958 -6.773 1.00 0.00 H new ATOM 0 HG SER A 39 -5.998 0.590 -5.326 1.00 0.00 H new ATOM 589 N GLY A 40 -10.181 -0.832 -5.926 1.00 0.00 N ATOM 590 CA GLY A 40 -11.341 -1.421 -6.611 1.00 0.00 C ATOM 591 C GLY A 40 -11.018 -1.812 -8.044 1.00 0.00 C ATOM 592 O GLY A 40 -11.575 -2.785 -8.574 1.00 0.00 O ATOM 0 H GLY A 40 -9.450 -1.508 -5.704 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -11.678 -2.301 -6.062 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -12.165 -0.708 -6.607 1.00 0.00 H new ATOM 596 N VAL A 41 -10.110 -1.044 -8.675 1.00 0.00 N ATOM 597 CA VAL A 41 -9.643 -1.297 -10.045 1.00 0.00 C ATOM 598 C VAL A 41 -8.684 -2.522 -10.069 1.00 0.00 C ATOM 599 O VAL A 41 -7.950 -2.729 -9.102 1.00 0.00 O ATOM 600 CB VAL A 41 -8.938 -0.011 -10.637 1.00 0.00 C ATOM 601 CG1 VAL A 41 -9.898 1.203 -10.652 1.00 0.00 C ATOM 602 CG2 VAL A 41 -7.630 0.342 -9.886 1.00 0.00 C ATOM 0 H VAL A 41 -9.679 -0.226 -8.243 1.00 0.00 H new ATOM 0 HA VAL A 41 -10.504 -1.526 -10.673 1.00 0.00 H new ATOM 0 HB VAL A 41 -8.670 -0.252 -11.666 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -9.382 2.070 -11.065 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -10.768 0.972 -11.267 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -10.221 1.424 -9.635 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -7.184 1.232 -10.330 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -7.853 0.533 -8.836 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -6.931 -0.491 -9.962 1.00 0.00 H new ATOM 612 N PRO A 42 -8.714 -3.385 -11.145 1.00 0.00 N ATOM 613 CA PRO A 42 -7.807 -4.562 -11.263 1.00 0.00 C ATOM 614 C PRO A 42 -6.306 -4.183 -11.319 1.00 0.00 C ATOM 615 O PRO A 42 -5.949 -3.008 -11.499 1.00 0.00 O ATOM 616 CB PRO A 42 -8.286 -5.269 -12.560 1.00 0.00 C ATOM 617 CG PRO A 42 -9.027 -4.222 -13.332 1.00 0.00 C ATOM 618 CD PRO A 42 -9.669 -3.329 -12.293 1.00 0.00 C ATOM 0 HA PRO A 42 -7.865 -5.204 -10.384 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -7.442 -5.655 -13.132 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -8.930 -6.118 -12.330 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -8.351 -3.655 -13.972 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -9.779 -4.672 -13.981 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -9.794 -2.311 -12.661 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -10.658 -3.689 -12.010 1.00 0.00 H new ATOM 626 N LYS A 43 -5.441 -5.209 -11.191 1.00 0.00 N ATOM 627 CA LYS A 43 -3.970 -5.046 -11.094 1.00 0.00 C ATOM 628 C LYS A 43 -3.369 -4.429 -12.370 1.00 0.00 C ATOM 629 O LYS A 43 -2.313 -3.802 -12.311 1.00 0.00 O ATOM 630 CB LYS A 43 -3.305 -6.421 -10.818 1.00 0.00 C ATOM 631 CG LYS A 43 -3.774 -7.111 -9.510 1.00 0.00 C ATOM 632 CD LYS A 43 -3.142 -8.504 -9.276 1.00 0.00 C ATOM 633 CE LYS A 43 -1.609 -8.461 -9.174 1.00 0.00 C ATOM 634 NZ LYS A 43 -1.049 -9.788 -8.824 1.00 0.00 N ATOM 0 H LYS A 43 -5.742 -6.183 -11.151 1.00 0.00 H new ATOM 0 HA LYS A 43 -3.771 -4.361 -10.270 1.00 0.00 H new ATOM 0 HB2 LYS A 43 -3.510 -7.085 -11.658 1.00 0.00 H new ATOM 0 HB3 LYS A 43 -2.224 -6.286 -10.775 1.00 0.00 H new ATOM 0 HG2 LYS A 43 -3.533 -6.467 -8.664 1.00 0.00 H new ATOM 0 HG3 LYS A 43 -4.859 -7.214 -9.534 1.00 0.00 H new ATOM 0 HD2 LYS A 43 -3.549 -8.932 -8.360 1.00 0.00 H new ATOM 0 HD3 LYS A 43 -3.427 -9.168 -10.092 1.00 0.00 H new ATOM 0 HE2 LYS A 43 -1.190 -8.127 -10.123 1.00 0.00 H new ATOM 0 HE3 LYS A 43 -1.314 -7.731 -8.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 -0.086 -9.871 -9.208 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 -1.019 -9.890 -7.789 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 -1.648 -10.535 -9.229 1.00 0.00 H new ATOM 648 N GLU A 44 -4.057 -4.618 -13.508 1.00 0.00 N ATOM 649 CA GLU A 44 -3.620 -4.139 -14.838 1.00 0.00 C ATOM 650 C GLU A 44 -3.688 -2.599 -14.917 1.00 0.00 C ATOM 651 O GLU A 44 -2.935 -1.969 -15.664 1.00 0.00 O ATOM 652 CB GLU A 44 -4.498 -4.766 -15.961 1.00 0.00 C ATOM 653 CG GLU A 44 -4.390 -6.306 -16.133 1.00 0.00 C ATOM 654 CD GLU A 44 -4.828 -7.118 -14.899 1.00 0.00 C ATOM 655 OE1 GLU A 44 -5.974 -6.930 -14.443 1.00 0.00 O ATOM 656 OE2 GLU A 44 -4.020 -7.904 -14.356 1.00 0.00 O ATOM 0 H GLU A 44 -4.947 -5.115 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 44 -2.585 -4.450 -14.983 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -5.540 -4.515 -15.762 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.232 -4.296 -16.908 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -4.999 -6.607 -16.986 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -3.358 -6.561 -16.372 1.00 0.00 H new ATOM 663 N GLU A 45 -4.602 -2.018 -14.127 1.00 0.00 N ATOM 664 CA GLU A 45 -4.807 -0.558 -14.070 1.00 0.00 C ATOM 665 C GLU A 45 -3.699 0.118 -13.244 1.00 0.00 C ATOM 666 O GLU A 45 -3.433 1.318 -13.397 1.00 0.00 O ATOM 667 CB GLU A 45 -6.196 -0.240 -13.452 1.00 0.00 C ATOM 668 CG GLU A 45 -7.367 -1.055 -14.013 1.00 0.00 C ATOM 669 CD GLU A 45 -7.575 -0.897 -15.524 1.00 0.00 C ATOM 670 OE1 GLU A 45 -8.167 0.127 -15.944 1.00 0.00 O ATOM 671 OE2 GLU A 45 -7.155 -1.784 -16.297 1.00 0.00 O ATOM 0 H GLU A 45 -5.221 -2.543 -13.509 1.00 0.00 H new ATOM 0 HA GLU A 45 -4.767 -0.166 -15.086 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -6.143 -0.406 -12.376 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -6.408 0.819 -13.601 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -7.202 -2.109 -13.788 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -8.281 -0.758 -13.499 1.00 0.00 H new ATOM 678 N ILE A 46 -3.068 -0.673 -12.354 1.00 0.00 N ATOM 679 CA ILE A 46 -2.081 -0.182 -11.380 1.00 0.00 C ATOM 680 C ILE A 46 -0.669 -0.660 -11.766 1.00 0.00 C ATOM 681 O ILE A 46 -0.488 -1.775 -12.276 1.00 0.00 O ATOM 682 CB ILE A 46 -2.435 -0.681 -9.921 1.00 0.00 C ATOM 683 CG1 ILE A 46 -3.955 -0.449 -9.622 1.00 0.00 C ATOM 684 CG2 ILE A 46 -1.548 0.016 -8.840 1.00 0.00 C ATOM 685 CD1 ILE A 46 -4.425 -0.930 -8.266 1.00 0.00 C ATOM 0 H ILE A 46 -3.232 -1.678 -12.293 1.00 0.00 H new ATOM 0 HA ILE A 46 -2.106 0.908 -11.391 1.00 0.00 H new ATOM 0 HB ILE A 46 -2.225 -1.750 -9.875 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -4.167 0.617 -9.705 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -4.541 -0.951 -10.391 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -1.822 -0.353 -7.852 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -0.498 -0.206 -9.033 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -1.705 1.094 -8.881 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -5.490 -0.724 -8.156 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -4.252 -2.003 -8.181 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -3.872 -0.410 -7.484 1.00 0.00 H new ATOM 697 N SER A 47 0.310 0.205 -11.514 1.00 0.00 N ATOM 698 CA SER A 47 1.741 -0.071 -11.682 1.00 0.00 C ATOM 699 C SER A 47 2.517 0.873 -10.769 1.00 0.00 C ATOM 700 O SER A 47 1.935 1.814 -10.210 1.00 0.00 O ATOM 701 CB SER A 47 2.173 0.121 -13.157 1.00 0.00 C ATOM 702 OG SER A 47 3.551 -0.175 -13.332 1.00 0.00 O ATOM 0 H SER A 47 0.127 1.150 -11.176 1.00 0.00 H new ATOM 0 HA SER A 47 1.950 -1.107 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 47 1.575 -0.524 -13.801 1.00 0.00 H new ATOM 0 HB3 SER A 47 1.977 1.148 -13.465 1.00 0.00 H new ATOM 0 HG SER A 47 3.796 -0.047 -14.272 1.00 0.00 H new ATOM 708 N ARG A 48 3.836 0.641 -10.642 1.00 0.00 N ATOM 709 CA ARG A 48 4.725 1.492 -9.834 1.00 0.00 C ATOM 710 C ARG A 48 4.755 2.932 -10.400 1.00 0.00 C ATOM 711 O ARG A 48 4.837 3.911 -9.645 1.00 0.00 O ATOM 712 CB ARG A 48 6.159 0.892 -9.762 1.00 0.00 C ATOM 713 CG ARG A 48 6.967 0.958 -11.077 1.00 0.00 C ATOM 714 CD ARG A 48 8.408 0.447 -10.918 1.00 0.00 C ATOM 715 NE ARG A 48 9.245 0.802 -12.077 1.00 0.00 N ATOM 716 CZ ARG A 48 10.291 1.648 -12.055 1.00 0.00 C ATOM 717 NH1 ARG A 48 10.677 2.228 -10.923 1.00 0.00 N ATOM 718 NH2 ARG A 48 10.949 1.916 -13.172 1.00 0.00 N ATOM 0 H ARG A 48 4.313 -0.139 -11.095 1.00 0.00 H new ATOM 0 HA ARG A 48 4.331 1.531 -8.819 1.00 0.00 H new ATOM 0 HB2 ARG A 48 6.716 1.416 -8.985 1.00 0.00 H new ATOM 0 HB3 ARG A 48 6.084 -0.150 -9.452 1.00 0.00 H new ATOM 0 HG2 ARG A 48 6.459 0.368 -11.840 1.00 0.00 H new ATOM 0 HG3 ARG A 48 6.989 1.988 -11.433 1.00 0.00 H new ATOM 0 HD2 ARG A 48 8.845 0.867 -10.012 1.00 0.00 H new ATOM 0 HD3 ARG A 48 8.398 -0.636 -10.795 1.00 0.00 H new ATOM 0 HE ARG A 48 9.012 0.370 -12.971 1.00 0.00 H new ATOM 0 HH11 ARG A 48 10.178 2.034 -10.055 1.00 0.00 H new ATOM 0 HH12 ARG A 48 11.472 2.867 -10.923 1.00 0.00 H new ATOM 0 HH21 ARG A 48 10.663 1.481 -14.049 1.00 0.00 H new ATOM 0 HH22 ARG A 48 11.742 2.557 -13.155 1.00 0.00 H new ATOM 732 N ASP A 49 4.620 3.038 -11.736 1.00 0.00 N ATOM 733 CA ASP A 49 4.725 4.316 -12.462 1.00 0.00 C ATOM 734 C ASP A 49 3.331 4.953 -12.691 1.00 0.00 C ATOM 735 O ASP A 49 3.232 6.062 -13.227 1.00 0.00 O ATOM 736 CB ASP A 49 5.469 4.081 -13.809 1.00 0.00 C ATOM 737 CG ASP A 49 5.864 5.385 -14.541 1.00 0.00 C ATOM 738 OD1 ASP A 49 6.769 6.091 -14.052 1.00 0.00 O ATOM 739 OD2 ASP A 49 5.273 5.710 -15.592 1.00 0.00 O ATOM 0 H ASP A 49 4.435 2.238 -12.342 1.00 0.00 H new ATOM 0 HA ASP A 49 5.297 5.021 -11.858 1.00 0.00 H new ATOM 0 HB2 ASP A 49 6.369 3.496 -13.619 1.00 0.00 H new ATOM 0 HB3 ASP A 49 4.834 3.486 -14.465 1.00 0.00 H new ATOM 744 N SER A 50 2.250 4.267 -12.247 1.00 0.00 N ATOM 745 CA SER A 50 0.864 4.774 -12.374 1.00 0.00 C ATOM 746 C SER A 50 0.579 5.954 -11.414 1.00 0.00 C ATOM 747 O SER A 50 -0.506 6.540 -11.482 1.00 0.00 O ATOM 748 CB SER A 50 -0.144 3.631 -12.122 1.00 0.00 C ATOM 749 OG SER A 50 0.021 2.592 -13.066 1.00 0.00 O ATOM 0 H SER A 50 2.314 3.355 -11.795 1.00 0.00 H new ATOM 0 HA SER A 50 0.748 5.148 -13.391 1.00 0.00 H new ATOM 0 HB2 SER A 50 -0.008 3.237 -11.115 1.00 0.00 H new ATOM 0 HB3 SER A 50 -1.161 4.019 -12.178 1.00 0.00 H new ATOM 0 HG SER A 50 -0.794 2.049 -13.100 1.00 0.00 H new ATOM 755 N ARG A 51 1.560 6.271 -10.519 1.00 0.00 N ATOM 756 CA ARG A 51 1.507 7.413 -9.569 1.00 0.00 C ATOM 757 C ARG A 51 0.442 7.222 -8.470 1.00 0.00 C ATOM 758 O ARG A 51 -0.384 6.305 -8.524 1.00 0.00 O ATOM 759 CB ARG A 51 1.324 8.768 -10.313 1.00 0.00 C ATOM 760 CG ARG A 51 2.488 9.132 -11.265 1.00 0.00 C ATOM 761 CD ARG A 51 2.232 10.428 -12.051 1.00 0.00 C ATOM 762 NE ARG A 51 1.908 11.554 -11.149 1.00 0.00 N ATOM 763 CZ ARG A 51 2.784 12.454 -10.678 1.00 0.00 C ATOM 764 NH1 ARG A 51 4.051 12.439 -11.066 1.00 0.00 N ATOM 765 NH2 ARG A 51 2.370 13.384 -9.829 1.00 0.00 N ATOM 0 H ARG A 51 2.421 5.729 -10.440 1.00 0.00 H new ATOM 0 HA ARG A 51 2.472 7.440 -9.064 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.398 8.732 -10.887 1.00 0.00 H new ATOM 0 HB3 ARG A 51 1.211 9.562 -9.575 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.405 9.239 -10.686 1.00 0.00 H new ATOM 0 HG3 ARG A 51 2.648 8.313 -11.966 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.113 10.676 -12.642 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.411 10.274 -12.751 1.00 0.00 H new ATOM 0 HE ARG A 51 0.935 11.655 -10.860 1.00 0.00 H new ATOM 0 HH11 ARG A 51 4.372 11.736 -11.732 1.00 0.00 H new ATOM 0 HH12 ARG A 51 4.705 13.130 -10.699 1.00 0.00 H new ATOM 0 HH21 ARG A 51 1.392 13.411 -9.539 1.00 0.00 H new ATOM 0 HH22 ARG A 51 3.029 14.073 -9.466 1.00 0.00 H new ATOM 779 N MET A 52 0.472 8.110 -7.470 1.00 0.00 N ATOM 780 CA MET A 52 -0.365 7.994 -6.267 1.00 0.00 C ATOM 781 C MET A 52 -1.409 9.133 -6.232 1.00 0.00 C ATOM 782 O MET A 52 -1.130 10.235 -5.748 1.00 0.00 O ATOM 783 CB MET A 52 0.547 7.988 -5.005 1.00 0.00 C ATOM 784 CG MET A 52 -0.166 7.606 -3.708 1.00 0.00 C ATOM 785 SD MET A 52 -1.022 6.026 -3.849 1.00 0.00 S ATOM 786 CE MET A 52 0.344 4.889 -4.076 1.00 0.00 C ATOM 0 H MET A 52 1.077 8.931 -7.470 1.00 0.00 H new ATOM 0 HA MET A 52 -0.919 7.056 -6.284 1.00 0.00 H new ATOM 0 HB2 MET A 52 1.370 7.293 -5.171 1.00 0.00 H new ATOM 0 HB3 MET A 52 0.986 8.978 -4.885 1.00 0.00 H new ATOM 0 HG2 MET A 52 0.560 7.554 -2.897 1.00 0.00 H new ATOM 0 HG3 MET A 52 -0.882 8.384 -3.445 1.00 0.00 H new ATOM 0 HE1 MET A 52 -0.039 3.872 -4.159 1.00 0.00 H new ATOM 0 HE2 MET A 52 0.886 5.148 -4.986 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.017 4.954 -3.221 1.00 0.00 H new ATOM 796 N GLU A 53 -2.598 8.860 -6.816 1.00 0.00 N ATOM 797 CA GLU A 53 -3.750 9.791 -6.831 1.00 0.00 C ATOM 798 C GLU A 53 -4.868 9.255 -5.924 1.00 0.00 C ATOM 799 O GLU A 53 -5.161 9.822 -4.873 1.00 0.00 O ATOM 800 CB GLU A 53 -4.267 9.968 -8.296 1.00 0.00 C ATOM 801 CG GLU A 53 -5.523 10.854 -8.475 1.00 0.00 C ATOM 802 CD GLU A 53 -5.317 12.318 -8.043 1.00 0.00 C ATOM 803 OE1 GLU A 53 -4.813 13.127 -8.853 1.00 0.00 O ATOM 804 OE2 GLU A 53 -5.649 12.669 -6.893 1.00 0.00 O ATOM 0 H GLU A 53 -2.787 7.979 -7.295 1.00 0.00 H new ATOM 0 HA GLU A 53 -3.434 10.763 -6.453 1.00 0.00 H new ATOM 0 HB2 GLU A 53 -3.461 10.392 -8.895 1.00 0.00 H new ATOM 0 HB3 GLU A 53 -4.483 8.981 -8.705 1.00 0.00 H new ATOM 0 HG2 GLU A 53 -5.825 10.833 -9.522 1.00 0.00 H new ATOM 0 HG3 GLU A 53 -6.343 10.427 -7.898 1.00 0.00 H new ATOM 811 N ASP A 54 -5.490 8.148 -6.344 1.00 0.00 N ATOM 812 CA ASP A 54 -6.623 7.512 -5.628 1.00 0.00 C ATOM 813 C ASP A 54 -6.240 6.108 -5.138 1.00 0.00 C ATOM 814 O ASP A 54 -6.888 5.572 -4.233 1.00 0.00 O ATOM 815 CB ASP A 54 -7.856 7.426 -6.574 1.00 0.00 C ATOM 816 CG ASP A 54 -7.610 6.519 -7.802 1.00 0.00 C ATOM 817 OD1 ASP A 54 -6.797 6.899 -8.675 1.00 0.00 O ATOM 818 OD2 ASP A 54 -8.198 5.418 -7.881 1.00 0.00 O ATOM 0 H ASP A 54 -5.225 7.657 -7.198 1.00 0.00 H new ATOM 0 HA ASP A 54 -6.872 8.121 -4.759 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -8.711 7.047 -6.014 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -8.117 8.428 -6.915 1.00 0.00 H new ATOM 823 N LEU A 55 -5.165 5.544 -5.737 1.00 0.00 N ATOM 824 CA LEU A 55 -4.744 4.141 -5.541 1.00 0.00 C ATOM 825 C LEU A 55 -4.389 3.823 -4.079 1.00 0.00 C ATOM 826 O LEU A 55 -4.589 2.686 -3.620 1.00 0.00 O ATOM 827 CB LEU A 55 -3.555 3.816 -6.486 1.00 0.00 C ATOM 828 CG LEU A 55 -3.851 3.990 -8.018 1.00 0.00 C ATOM 829 CD1 LEU A 55 -2.578 3.780 -8.875 1.00 0.00 C ATOM 830 CD2 LEU A 55 -4.996 3.046 -8.476 1.00 0.00 C ATOM 0 H LEU A 55 -4.560 6.058 -6.377 1.00 0.00 H new ATOM 0 HA LEU A 55 -5.593 3.505 -5.791 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -2.715 4.457 -6.220 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -3.241 2.788 -6.308 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.180 5.018 -8.172 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -2.824 3.909 -9.929 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -1.821 4.510 -8.587 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.192 2.774 -8.713 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.180 3.187 -9.541 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.710 2.011 -8.292 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.903 3.277 -7.917 1.00 0.00 H new ATOM 842 N ALA A 56 -3.845 4.833 -3.367 1.00 0.00 N ATOM 843 CA ALA A 56 -3.535 4.737 -1.924 1.00 0.00 C ATOM 844 C ALA A 56 -3.316 6.125 -1.284 1.00 0.00 C ATOM 845 O ALA A 56 -2.810 6.200 -0.157 1.00 0.00 O ATOM 846 CB ALA A 56 -2.316 3.828 -1.697 1.00 0.00 C ATOM 0 H ALA A 56 -3.608 5.737 -3.776 1.00 0.00 H new ATOM 0 HA ALA A 56 -4.400 4.293 -1.431 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -2.101 3.768 -0.630 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -2.529 2.830 -2.081 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -1.452 4.241 -2.219 1.00 0.00 H new ATOM 852 N PHE A 57 -3.705 7.216 -1.990 1.00 0.00 N ATOM 853 CA PHE A 57 -3.558 8.603 -1.467 1.00 0.00 C ATOM 854 C PHE A 57 -4.889 9.122 -0.908 1.00 0.00 C ATOM 855 O PHE A 57 -4.890 9.929 0.034 1.00 0.00 O ATOM 856 CB PHE A 57 -3.019 9.569 -2.565 1.00 0.00 C ATOM 857 CG PHE A 57 -2.865 11.037 -2.118 1.00 0.00 C ATOM 858 CD1 PHE A 57 -1.712 11.465 -1.459 1.00 0.00 C ATOM 859 CD2 PHE A 57 -3.877 11.978 -2.349 1.00 0.00 C ATOM 860 CE1 PHE A 57 -1.584 12.773 -1.036 1.00 0.00 C ATOM 861 CE2 PHE A 57 -3.743 13.283 -1.925 1.00 0.00 C ATOM 862 CZ PHE A 57 -2.592 13.686 -1.274 1.00 0.00 C ATOM 0 H PHE A 57 -4.122 7.165 -2.920 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.830 8.571 -0.656 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -2.050 9.204 -2.906 1.00 0.00 H new ATOM 0 HB3 PHE A 57 -3.692 9.534 -3.422 1.00 0.00 H new ATOM 0 HD1 PHE A 57 -0.910 10.765 -1.278 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -4.775 11.677 -2.867 1.00 0.00 H new ATOM 0 HE1 PHE A 57 -0.690 13.084 -0.516 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -4.539 13.992 -2.102 1.00 0.00 H new ATOM 0 HZ PHE A 57 -2.482 14.711 -0.953 1.00 0.00 H new ATOM 872 N ASP A 58 -6.015 8.677 -1.507 1.00 0.00 N ATOM 873 CA ASP A 58 -7.364 9.024 -1.025 1.00 0.00 C ATOM 874 C ASP A 58 -7.501 8.625 0.456 1.00 0.00 C ATOM 875 O ASP A 58 -7.128 7.513 0.806 1.00 0.00 O ATOM 876 CB ASP A 58 -8.444 8.326 -1.889 1.00 0.00 C ATOM 877 CG ASP A 58 -9.874 8.536 -1.351 1.00 0.00 C ATOM 878 OD1 ASP A 58 -10.428 9.641 -1.542 1.00 0.00 O ATOM 879 OD2 ASP A 58 -10.424 7.626 -0.698 1.00 0.00 O ATOM 0 H ASP A 58 -6.013 8.074 -2.329 1.00 0.00 H new ATOM 0 HA ASP A 58 -7.511 10.100 -1.113 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -8.386 8.705 -2.909 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -8.232 7.258 -1.933 1.00 0.00 H new ATOM 884 N SER A 59 -8.044 9.540 1.284 1.00 0.00 N ATOM 885 CA SER A 59 -8.066 9.423 2.761 1.00 0.00 C ATOM 886 C SER A 59 -8.662 8.086 3.252 1.00 0.00 C ATOM 887 O SER A 59 -8.166 7.502 4.229 1.00 0.00 O ATOM 888 CB SER A 59 -8.839 10.625 3.364 1.00 0.00 C ATOM 889 OG SER A 59 -8.802 10.627 4.785 1.00 0.00 O ATOM 0 H SER A 59 -8.486 10.394 0.944 1.00 0.00 H new ATOM 0 HA SER A 59 -7.032 9.437 3.106 1.00 0.00 H new ATOM 0 HB2 SER A 59 -8.411 11.555 2.990 1.00 0.00 H new ATOM 0 HB3 SER A 59 -9.876 10.593 3.029 1.00 0.00 H new ATOM 0 HG SER A 59 -9.299 11.401 5.124 1.00 0.00 H new ATOM 895 N LEU A 60 -9.707 7.607 2.553 1.00 0.00 N ATOM 896 CA LEU A 60 -10.360 6.323 2.870 1.00 0.00 C ATOM 897 C LEU A 60 -9.417 5.148 2.559 1.00 0.00 C ATOM 898 O LEU A 60 -9.284 4.219 3.362 1.00 0.00 O ATOM 899 CB LEU A 60 -11.676 6.173 2.070 1.00 0.00 C ATOM 900 CG LEU A 60 -12.506 4.883 2.373 1.00 0.00 C ATOM 901 CD1 LEU A 60 -13.009 4.881 3.839 1.00 0.00 C ATOM 902 CD2 LEU A 60 -13.674 4.711 1.372 1.00 0.00 C ATOM 0 H LEU A 60 -10.120 8.095 1.758 1.00 0.00 H new ATOM 0 HA LEU A 60 -10.594 6.312 3.935 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -12.303 7.042 2.269 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -11.438 6.189 1.006 1.00 0.00 H new ATOM 0 HG LEU A 60 -11.846 4.025 2.246 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -13.584 3.974 4.025 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -12.156 4.916 4.516 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -13.642 5.752 4.008 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -14.229 3.804 1.613 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -14.339 5.572 1.438 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -13.277 4.635 0.360 1.00 0.00 H new ATOM 914 N VAL A 61 -8.755 5.231 1.390 1.00 0.00 N ATOM 915 CA VAL A 61 -7.844 4.181 0.905 1.00 0.00 C ATOM 916 C VAL A 61 -6.562 4.128 1.767 1.00 0.00 C ATOM 917 O VAL A 61 -5.973 3.069 1.901 1.00 0.00 O ATOM 918 CB VAL A 61 -7.472 4.366 -0.619 1.00 0.00 C ATOM 919 CG1 VAL A 61 -6.720 3.126 -1.168 1.00 0.00 C ATOM 920 CG2 VAL A 61 -8.735 4.647 -1.470 1.00 0.00 C ATOM 0 H VAL A 61 -8.837 6.027 0.757 1.00 0.00 H new ATOM 0 HA VAL A 61 -8.375 3.234 0.998 1.00 0.00 H new ATOM 0 HB VAL A 61 -6.809 5.228 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.478 3.283 -2.219 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.800 2.978 -0.602 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.353 2.244 -1.070 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -8.450 4.770 -2.515 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.428 3.811 -1.379 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.217 5.558 -1.116 1.00 0.00 H new ATOM 930 N VAL A 62 -6.163 5.277 2.358 1.00 0.00 N ATOM 931 CA VAL A 62 -5.000 5.358 3.282 1.00 0.00 C ATOM 932 C VAL A 62 -5.298 4.589 4.582 1.00 0.00 C ATOM 933 O VAL A 62 -4.488 3.773 5.024 1.00 0.00 O ATOM 934 CB VAL A 62 -4.620 6.855 3.637 1.00 0.00 C ATOM 935 CG1 VAL A 62 -3.505 6.942 4.718 1.00 0.00 C ATOM 936 CG2 VAL A 62 -4.199 7.630 2.373 1.00 0.00 C ATOM 0 H VAL A 62 -6.632 6.171 2.212 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.152 4.908 2.766 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.516 7.316 4.054 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -3.281 7.988 4.926 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -3.845 6.455 5.632 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -2.606 6.444 4.355 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -3.943 8.655 2.643 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -3.333 7.147 1.921 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -5.023 7.638 1.660 1.00 0.00 H new ATOM 946 N SER A 63 -6.479 4.871 5.166 1.00 0.00 N ATOM 947 CA SER A 63 -6.942 4.232 6.410 1.00 0.00 C ATOM 948 C SER A 63 -7.137 2.718 6.205 1.00 0.00 C ATOM 949 O SER A 63 -6.787 1.918 7.074 1.00 0.00 O ATOM 950 CB SER A 63 -8.254 4.908 6.873 1.00 0.00 C ATOM 951 OG SER A 63 -8.070 6.311 7.030 1.00 0.00 O ATOM 0 H SER A 63 -7.139 5.550 4.786 1.00 0.00 H new ATOM 0 HA SER A 63 -6.187 4.360 7.185 1.00 0.00 H new ATOM 0 HB2 SER A 63 -9.043 4.719 6.145 1.00 0.00 H new ATOM 0 HB3 SER A 63 -8.580 4.471 7.817 1.00 0.00 H new ATOM 0 HG SER A 63 -8.107 6.746 6.153 1.00 0.00 H new ATOM 957 N GLU A 64 -7.688 2.357 5.026 1.00 0.00 N ATOM 958 CA GLU A 64 -7.889 0.958 4.600 1.00 0.00 C ATOM 959 C GLU A 64 -6.543 0.255 4.360 1.00 0.00 C ATOM 960 O GLU A 64 -6.375 -0.899 4.757 1.00 0.00 O ATOM 961 CB GLU A 64 -8.768 0.921 3.310 1.00 0.00 C ATOM 962 CG GLU A 64 -8.935 -0.467 2.638 1.00 0.00 C ATOM 963 CD GLU A 64 -9.556 -1.542 3.555 1.00 0.00 C ATOM 964 OE1 GLU A 64 -10.746 -1.417 3.905 1.00 0.00 O ATOM 965 OE2 GLU A 64 -8.864 -2.526 3.919 1.00 0.00 O ATOM 0 H GLU A 64 -8.009 3.037 4.337 1.00 0.00 H new ATOM 0 HA GLU A 64 -8.404 0.422 5.397 1.00 0.00 H new ATOM 0 HB2 GLU A 64 -9.758 1.303 3.558 1.00 0.00 H new ATOM 0 HB3 GLU A 64 -8.336 1.606 2.580 1.00 0.00 H new ATOM 0 HG2 GLU A 64 -9.560 -0.356 1.752 1.00 0.00 H new ATOM 0 HG3 GLU A 64 -7.959 -0.814 2.299 1.00 0.00 H new ATOM 972 N LEU A 65 -5.591 0.970 3.737 1.00 0.00 N ATOM 973 CA LEU A 65 -4.288 0.403 3.358 1.00 0.00 C ATOM 974 C LEU A 65 -3.470 0.079 4.607 1.00 0.00 C ATOM 975 O LEU A 65 -2.958 -1.014 4.739 1.00 0.00 O ATOM 976 CB LEU A 65 -3.476 1.341 2.421 1.00 0.00 C ATOM 977 CG LEU A 65 -2.168 0.718 1.832 1.00 0.00 C ATOM 978 CD1 LEU A 65 -2.479 -0.485 0.900 1.00 0.00 C ATOM 979 CD2 LEU A 65 -1.311 1.775 1.111 1.00 0.00 C ATOM 0 H LEU A 65 -5.703 1.952 3.484 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.490 -0.512 2.801 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.118 1.648 1.595 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -3.214 2.243 2.974 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.585 0.341 2.672 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -1.547 -0.893 0.509 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.004 -1.256 1.464 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.105 -0.152 0.072 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -0.411 1.305 0.715 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -1.883 2.210 0.292 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.031 2.559 1.815 1.00 0.00 H new ATOM 991 N SER A 66 -3.384 1.044 5.530 1.00 0.00 N ATOM 992 CA SER A 66 -2.654 0.872 6.800 1.00 0.00 C ATOM 993 C SER A 66 -3.317 -0.222 7.669 1.00 0.00 C ATOM 994 O SER A 66 -2.622 -0.946 8.386 1.00 0.00 O ATOM 995 CB SER A 66 -2.590 2.215 7.548 1.00 0.00 C ATOM 996 OG SER A 66 -1.744 2.158 8.692 1.00 0.00 O ATOM 0 H SER A 66 -3.814 1.963 5.423 1.00 0.00 H new ATOM 0 HA SER A 66 -1.636 0.547 6.584 1.00 0.00 H new ATOM 0 HB2 SER A 66 -2.229 2.989 6.870 1.00 0.00 H new ATOM 0 HB3 SER A 66 -3.595 2.505 7.856 1.00 0.00 H new ATOM 0 HG SER A 66 -1.607 3.063 9.043 1.00 0.00 H new ATOM 1002 N LEU A 67 -4.665 -0.336 7.561 1.00 0.00 N ATOM 1003 CA LEU A 67 -5.473 -1.373 8.249 1.00 0.00 C ATOM 1004 C LEU A 67 -5.074 -2.773 7.742 1.00 0.00 C ATOM 1005 O LEU A 67 -4.793 -3.671 8.537 1.00 0.00 O ATOM 1006 CB LEU A 67 -6.997 -1.097 8.014 1.00 0.00 C ATOM 1007 CG LEU A 67 -8.049 -2.037 8.722 1.00 0.00 C ATOM 1008 CD1 LEU A 67 -9.399 -1.315 8.913 1.00 0.00 C ATOM 1009 CD2 LEU A 67 -8.278 -3.380 7.967 1.00 0.00 C ATOM 0 H LEU A 67 -5.226 0.295 6.989 1.00 0.00 H new ATOM 0 HA LEU A 67 -5.280 -1.335 9.321 1.00 0.00 H new ATOM 0 HB2 LEU A 67 -7.201 -0.074 8.329 1.00 0.00 H new ATOM 0 HB3 LEU A 67 -7.181 -1.143 6.941 1.00 0.00 H new ATOM 0 HG LEU A 67 -7.622 -2.279 9.695 1.00 0.00 H new ATOM 0 HD11 LEU A 67 -10.104 -1.986 9.403 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -9.253 -0.428 9.530 1.00 0.00 H new ATOM 0 HD13 LEU A 67 -9.794 -1.020 7.941 1.00 0.00 H new ATOM 0 HD21 LEU A 67 -9.012 -3.980 8.506 1.00 0.00 H new ATOM 0 HD22 LEU A 67 -8.645 -3.174 6.962 1.00 0.00 H new ATOM 0 HD23 LEU A 67 -7.337 -3.927 7.905 1.00 0.00 H new ATOM 1021 N LYS A 68 -5.084 -2.953 6.413 1.00 0.00 N ATOM 1022 CA LYS A 68 -4.867 -4.269 5.795 1.00 0.00 C ATOM 1023 C LYS A 68 -3.389 -4.668 5.882 1.00 0.00 C ATOM 1024 O LYS A 68 -3.094 -5.788 6.280 1.00 0.00 O ATOM 1025 CB LYS A 68 -5.440 -4.306 4.351 1.00 0.00 C ATOM 1026 CG LYS A 68 -4.763 -3.390 3.310 1.00 0.00 C ATOM 1027 CD LYS A 68 -5.694 -2.944 2.138 1.00 0.00 C ATOM 1028 CE LYS A 68 -6.398 -4.095 1.382 1.00 0.00 C ATOM 1029 NZ LYS A 68 -7.571 -4.642 2.120 1.00 0.00 N ATOM 0 H LYS A 68 -5.241 -2.200 5.743 1.00 0.00 H new ATOM 0 HA LYS A 68 -5.420 -5.024 6.354 1.00 0.00 H new ATOM 0 HB2 LYS A 68 -5.382 -5.332 3.989 1.00 0.00 H new ATOM 0 HB3 LYS A 68 -6.497 -4.044 4.398 1.00 0.00 H new ATOM 0 HG2 LYS A 68 -4.387 -2.501 3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 68 -3.900 -3.910 2.894 1.00 0.00 H new ATOM 0 HD2 LYS A 68 -6.455 -2.273 2.535 1.00 0.00 H new ATOM 0 HD3 LYS A 68 -5.103 -2.370 1.424 1.00 0.00 H new ATOM 0 HE2 LYS A 68 -6.725 -3.736 0.406 1.00 0.00 H new ATOM 0 HE3 LYS A 68 -5.682 -4.897 1.203 1.00 0.00 H new ATOM 0 HZ1 LYS A 68 -8.288 -4.968 1.440 1.00 0.00 H new ATOM 0 HZ2 LYS A 68 -7.267 -5.441 2.712 1.00 0.00 H new ATOM 0 HZ3 LYS A 68 -7.979 -3.899 2.723 1.00 0.00 H new ATOM 1043 N LEU A 69 -2.466 -3.709 5.615 1.00 0.00 N ATOM 1044 CA LEU A 69 -1.003 -3.944 5.732 1.00 0.00 C ATOM 1045 C LEU A 69 -0.614 -4.308 7.176 1.00 0.00 C ATOM 1046 O LEU A 69 0.351 -5.020 7.382 1.00 0.00 O ATOM 1047 CB LEU A 69 -0.169 -2.706 5.284 1.00 0.00 C ATOM 1048 CG LEU A 69 -0.294 -2.248 3.791 1.00 0.00 C ATOM 1049 CD1 LEU A 69 0.696 -1.095 3.467 1.00 0.00 C ATOM 1050 CD2 LEU A 69 -0.136 -3.426 2.811 1.00 0.00 C ATOM 0 H LEU A 69 -2.709 -2.764 5.317 1.00 0.00 H new ATOM 0 HA LEU A 69 -0.775 -4.777 5.067 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -0.450 -1.865 5.918 1.00 0.00 H new ATOM 0 HB3 LEU A 69 0.881 -2.919 5.483 1.00 0.00 H new ATOM 0 HG LEU A 69 -1.304 -1.860 3.658 1.00 0.00 H new ATOM 0 HD11 LEU A 69 0.583 -0.801 2.423 1.00 0.00 H new ATOM 0 HD12 LEU A 69 0.483 -0.241 4.110 1.00 0.00 H new ATOM 0 HD13 LEU A 69 1.718 -1.433 3.640 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -0.230 -3.063 1.788 1.00 0.00 H new ATOM 0 HD22 LEU A 69 0.845 -3.882 2.946 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -0.911 -4.167 3.005 1.00 0.00 H new ATOM 1062 N ARG A 70 -1.396 -3.798 8.155 1.00 0.00 N ATOM 1063 CA ARG A 70 -1.213 -4.078 9.600 1.00 0.00 C ATOM 1064 C ARG A 70 -1.268 -5.591 9.899 1.00 0.00 C ATOM 1065 O ARG A 70 -0.610 -6.076 10.820 1.00 0.00 O ATOM 1066 CB ARG A 70 -2.293 -3.304 10.408 1.00 0.00 C ATOM 1067 CG ARG A 70 -2.244 -3.439 11.946 1.00 0.00 C ATOM 1068 CD ARG A 70 -3.204 -2.458 12.652 1.00 0.00 C ATOM 1069 NE ARG A 70 -4.616 -2.698 12.300 1.00 0.00 N ATOM 1070 CZ ARG A 70 -5.551 -1.753 12.135 1.00 0.00 C ATOM 1071 NH1 ARG A 70 -5.251 -0.469 12.173 1.00 0.00 N ATOM 1072 NH2 ARG A 70 -6.808 -2.110 11.905 1.00 0.00 N ATOM 0 H ARG A 70 -2.180 -3.174 7.963 1.00 0.00 H new ATOM 0 HA ARG A 70 -0.223 -3.737 9.903 1.00 0.00 H new ATOM 0 HB2 ARG A 70 -2.211 -2.246 10.157 1.00 0.00 H new ATOM 0 HB3 ARG A 70 -3.274 -3.637 10.069 1.00 0.00 H new ATOM 0 HG2 ARG A 70 -2.501 -4.460 12.227 1.00 0.00 H new ATOM 0 HG3 ARG A 70 -1.226 -3.260 12.292 1.00 0.00 H new ATOM 0 HD2 ARG A 70 -3.082 -2.548 13.731 1.00 0.00 H new ATOM 0 HD3 ARG A 70 -2.935 -1.436 12.385 1.00 0.00 H new ATOM 0 HE ARG A 70 -4.906 -3.667 12.171 1.00 0.00 H new ATOM 0 HH11 ARG A 70 -4.287 -0.175 12.331 1.00 0.00 H new ATOM 0 HH12 ARG A 70 -5.983 0.230 12.044 1.00 0.00 H new ATOM 0 HH21 ARG A 70 -7.057 -3.098 11.855 1.00 0.00 H new ATOM 0 HH22 ARG A 70 -7.526 -1.396 11.778 1.00 0.00 H new ATOM 1086 N LYS A 71 -2.069 -6.324 9.114 1.00 0.00 N ATOM 1087 CA LYS A 71 -2.205 -7.796 9.221 1.00 0.00 C ATOM 1088 C LYS A 71 -1.309 -8.509 8.196 1.00 0.00 C ATOM 1089 O LYS A 71 -0.531 -9.400 8.555 1.00 0.00 O ATOM 1090 CB LYS A 71 -3.689 -8.210 9.019 1.00 0.00 C ATOM 1091 CG LYS A 71 -4.694 -7.612 10.049 1.00 0.00 C ATOM 1092 CD LYS A 71 -4.681 -8.283 11.477 1.00 0.00 C ATOM 1093 CE LYS A 71 -3.925 -7.482 12.577 1.00 0.00 C ATOM 1094 NZ LYS A 71 -2.448 -7.581 12.458 1.00 0.00 N ATOM 0 H LYS A 71 -2.648 -5.916 8.380 1.00 0.00 H new ATOM 0 HA LYS A 71 -1.884 -8.097 10.218 1.00 0.00 H new ATOM 0 HB2 LYS A 71 -3.999 -7.911 8.018 1.00 0.00 H new ATOM 0 HB3 LYS A 71 -3.755 -9.297 9.061 1.00 0.00 H new ATOM 0 HG2 LYS A 71 -4.481 -6.549 10.164 1.00 0.00 H new ATOM 0 HG3 LYS A 71 -5.700 -7.693 9.638 1.00 0.00 H new ATOM 0 HD2 LYS A 71 -5.711 -8.431 11.801 1.00 0.00 H new ATOM 0 HD3 LYS A 71 -4.228 -9.271 11.393 1.00 0.00 H new ATOM 0 HE2 LYS A 71 -4.219 -6.434 12.521 1.00 0.00 H new ATOM 0 HE3 LYS A 71 -4.230 -7.847 13.558 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 -2.015 -7.450 13.394 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 -2.192 -8.518 12.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 -2.102 -6.845 11.810 1.00 0.00 H new ATOM 1108 N GLU A 72 -1.425 -8.080 6.927 1.00 0.00 N ATOM 1109 CA GLU A 72 -0.798 -8.740 5.762 1.00 0.00 C ATOM 1110 C GLU A 72 0.742 -8.743 5.852 1.00 0.00 C ATOM 1111 O GLU A 72 1.376 -9.796 5.745 1.00 0.00 O ATOM 1112 CB GLU A 72 -1.250 -8.037 4.445 1.00 0.00 C ATOM 1113 CG GLU A 72 -2.776 -8.024 4.189 1.00 0.00 C ATOM 1114 CD GLU A 72 -3.395 -9.425 4.116 1.00 0.00 C ATOM 1115 OE1 GLU A 72 -3.270 -10.078 3.058 1.00 0.00 O ATOM 1116 OE2 GLU A 72 -4.010 -9.885 5.111 1.00 0.00 O ATOM 0 H GLU A 72 -1.965 -7.252 6.675 1.00 0.00 H new ATOM 0 HA GLU A 72 -1.128 -9.779 5.760 1.00 0.00 H new ATOM 0 HB2 GLU A 72 -0.893 -7.007 4.462 1.00 0.00 H new ATOM 0 HB3 GLU A 72 -0.762 -8.530 3.604 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -3.265 -7.460 4.983 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -2.975 -7.498 3.255 1.00 0.00 H new ATOM 1123 N PHE A 73 1.331 -7.548 6.059 1.00 0.00 N ATOM 1124 CA PHE A 73 2.804 -7.352 6.039 1.00 0.00 C ATOM 1125 C PHE A 73 3.330 -6.799 7.388 1.00 0.00 C ATOM 1126 O PHE A 73 4.545 -6.667 7.567 1.00 0.00 O ATOM 1127 CB PHE A 73 3.185 -6.398 4.873 1.00 0.00 C ATOM 1128 CG PHE A 73 2.783 -6.917 3.480 1.00 0.00 C ATOM 1129 CD1 PHE A 73 3.565 -7.858 2.812 1.00 0.00 C ATOM 1130 CD2 PHE A 73 1.625 -6.466 2.847 1.00 0.00 C ATOM 1131 CE1 PHE A 73 3.203 -8.323 1.561 1.00 0.00 C ATOM 1132 CE2 PHE A 73 1.263 -6.932 1.596 1.00 0.00 C ATOM 1133 CZ PHE A 73 2.054 -7.859 0.950 1.00 0.00 C ATOM 0 H PHE A 73 0.807 -6.693 6.244 1.00 0.00 H new ATOM 0 HA PHE A 73 3.275 -8.323 5.884 1.00 0.00 H new ATOM 0 HB2 PHE A 73 2.711 -5.431 5.039 1.00 0.00 H new ATOM 0 HB3 PHE A 73 4.262 -6.232 4.890 1.00 0.00 H new ATOM 0 HD1 PHE A 73 4.466 -8.229 3.278 1.00 0.00 H new ATOM 0 HD2 PHE A 73 0.999 -5.739 3.343 1.00 0.00 H new ATOM 0 HE1 PHE A 73 3.821 -9.052 1.059 1.00 0.00 H new ATOM 0 HE2 PHE A 73 0.361 -6.570 1.125 1.00 0.00 H new ATOM 0 HZ PHE A 73 1.776 -8.221 -0.029 1.00 0.00 H new ATOM 1143 N GLY A 74 2.402 -6.496 8.322 1.00 0.00 N ATOM 1144 CA GLY A 74 2.734 -5.924 9.638 1.00 0.00 C ATOM 1145 C GLY A 74 3.149 -4.447 9.594 1.00 0.00 C ATOM 1146 O GLY A 74 3.782 -3.949 10.533 1.00 0.00 O ATOM 0 H GLY A 74 1.402 -6.643 8.181 1.00 0.00 H new ATOM 0 HA2 GLY A 74 1.871 -6.028 10.295 1.00 0.00 H new ATOM 0 HA3 GLY A 74 3.544 -6.504 10.081 1.00 0.00 H new ATOM 1150 N VAL A 75 2.777 -3.746 8.507 1.00 0.00 N ATOM 1151 CA VAL A 75 3.132 -2.325 8.284 1.00 0.00 C ATOM 1152 C VAL A 75 2.024 -1.417 8.869 1.00 0.00 C ATOM 1153 O VAL A 75 0.869 -1.478 8.430 1.00 0.00 O ATOM 1154 CB VAL A 75 3.339 -2.042 6.741 1.00 0.00 C ATOM 1155 CG1 VAL A 75 3.768 -0.584 6.466 1.00 0.00 C ATOM 1156 CG2 VAL A 75 4.356 -3.037 6.132 1.00 0.00 C ATOM 0 H VAL A 75 2.219 -4.148 7.753 1.00 0.00 H new ATOM 0 HA VAL A 75 4.071 -2.105 8.792 1.00 0.00 H new ATOM 0 HB VAL A 75 2.374 -2.189 6.256 1.00 0.00 H new ATOM 0 HG11 VAL A 75 3.898 -0.439 5.393 1.00 0.00 H new ATOM 0 HG12 VAL A 75 3.000 0.097 6.834 1.00 0.00 H new ATOM 0 HG13 VAL A 75 4.709 -0.379 6.976 1.00 0.00 H new ATOM 0 HG21 VAL A 75 4.483 -2.824 5.071 1.00 0.00 H new ATOM 0 HG22 VAL A 75 5.315 -2.934 6.640 1.00 0.00 H new ATOM 0 HG23 VAL A 75 3.988 -4.055 6.256 1.00 0.00 H new ATOM 1166 N THR A 76 2.386 -0.589 9.879 1.00 0.00 N ATOM 1167 CA THR A 76 1.428 0.207 10.682 1.00 0.00 C ATOM 1168 C THR A 76 2.046 1.565 11.079 1.00 0.00 C ATOM 1169 O THR A 76 3.277 1.670 11.224 1.00 0.00 O ATOM 1170 CB THR A 76 1.023 -0.596 11.969 1.00 0.00 C ATOM 1171 OG1 THR A 76 0.511 -1.872 11.580 1.00 0.00 O ATOM 1172 CG2 THR A 76 -0.035 0.121 12.835 1.00 0.00 C ATOM 0 H THR A 76 3.357 -0.454 10.160 1.00 0.00 H new ATOM 0 HA THR A 76 0.540 0.397 10.080 1.00 0.00 H new ATOM 0 HB THR A 76 1.923 -0.691 12.577 1.00 0.00 H new ATOM 0 HG1 THR A 76 0.837 -2.558 12.200 1.00 0.00 H new ATOM 0 HG21 THR A 76 -0.267 -0.491 13.707 1.00 0.00 H new ATOM 0 HG22 THR A 76 0.355 1.085 13.162 1.00 0.00 H new ATOM 0 HG23 THR A 76 -0.941 0.276 12.249 1.00 0.00 H new ATOM 1180 N GLY A 77 1.180 2.600 11.238 1.00 0.00 N ATOM 1181 CA GLY A 77 1.607 3.943 11.658 1.00 0.00 C ATOM 1182 C GLY A 77 2.336 4.703 10.558 1.00 0.00 C ATOM 1183 O GLY A 77 3.003 5.711 10.814 1.00 0.00 O ATOM 0 H GLY A 77 0.176 2.519 11.078 1.00 0.00 H new ATOM 0 HA2 GLY A 77 0.734 4.515 11.971 1.00 0.00 H new ATOM 0 HA3 GLY A 77 2.259 3.856 12.527 1.00 0.00 H new ATOM 1187 N VAL A 78 2.194 4.206 9.319 1.00 0.00 N ATOM 1188 CA VAL A 78 2.847 4.761 8.122 1.00 0.00 C ATOM 1189 C VAL A 78 1.888 5.676 7.344 1.00 0.00 C ATOM 1190 O VAL A 78 2.242 6.134 6.271 1.00 0.00 O ATOM 1191 CB VAL A 78 3.355 3.592 7.187 1.00 0.00 C ATOM 1192 CG1 VAL A 78 4.450 2.741 7.884 1.00 0.00 C ATOM 1193 CG2 VAL A 78 2.174 2.699 6.704 1.00 0.00 C ATOM 0 H VAL A 78 1.612 3.393 9.117 1.00 0.00 H new ATOM 0 HA VAL A 78 3.700 5.357 8.447 1.00 0.00 H new ATOM 0 HB VAL A 78 3.806 4.052 6.308 1.00 0.00 H new ATOM 0 HG11 VAL A 78 4.776 1.947 7.212 1.00 0.00 H new ATOM 0 HG12 VAL A 78 5.300 3.376 8.134 1.00 0.00 H new ATOM 0 HG13 VAL A 78 4.044 2.302 8.795 1.00 0.00 H new ATOM 0 HG21 VAL A 78 2.557 1.905 6.063 1.00 0.00 H new ATOM 0 HG22 VAL A 78 1.674 2.260 7.567 1.00 0.00 H new ATOM 0 HG23 VAL A 78 1.464 3.307 6.143 1.00 0.00 H new ATOM 1203 N ASP A 79 0.713 5.962 7.935 1.00 0.00 N ATOM 1204 CA ASP A 79 -0.407 6.711 7.301 1.00 0.00 C ATOM 1205 C ASP A 79 0.043 8.074 6.745 1.00 0.00 C ATOM 1206 O ASP A 79 -0.336 8.483 5.637 1.00 0.00 O ATOM 1207 CB ASP A 79 -1.536 6.940 8.338 1.00 0.00 C ATOM 1208 CG ASP A 79 -2.051 5.653 8.996 1.00 0.00 C ATOM 1209 OD1 ASP A 79 -1.311 5.055 9.815 1.00 0.00 O ATOM 1210 OD2 ASP A 79 -3.180 5.218 8.701 1.00 0.00 O ATOM 0 H ASP A 79 0.503 5.675 8.891 1.00 0.00 H new ATOM 0 HA ASP A 79 -0.766 6.108 6.467 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -1.171 7.612 9.115 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -2.369 7.443 7.847 1.00 0.00 H new ATOM 1215 N ASP A 80 0.857 8.746 7.562 1.00 0.00 N ATOM 1216 CA ASP A 80 1.426 10.066 7.260 1.00 0.00 C ATOM 1217 C ASP A 80 2.340 9.976 6.033 1.00 0.00 C ATOM 1218 O ASP A 80 2.261 10.805 5.122 1.00 0.00 O ATOM 1219 CB ASP A 80 2.220 10.572 8.496 1.00 0.00 C ATOM 1220 CG ASP A 80 1.385 10.525 9.794 1.00 0.00 C ATOM 1221 OD1 ASP A 80 1.300 9.441 10.417 1.00 0.00 O ATOM 1222 OD2 ASP A 80 0.804 11.557 10.193 1.00 0.00 O ATOM 0 H ASP A 80 1.146 8.383 8.470 1.00 0.00 H new ATOM 0 HA ASP A 80 0.624 10.770 7.037 1.00 0.00 H new ATOM 0 HB2 ASP A 80 3.116 9.964 8.622 1.00 0.00 H new ATOM 0 HB3 ASP A 80 2.551 11.595 8.317 1.00 0.00 H new ATOM 1227 N GLU A 81 3.168 8.912 6.011 1.00 0.00 N ATOM 1228 CA GLU A 81 4.130 8.655 4.926 1.00 0.00 C ATOM 1229 C GLU A 81 3.399 8.167 3.649 1.00 0.00 C ATOM 1230 O GLU A 81 3.861 8.445 2.552 1.00 0.00 O ATOM 1231 CB GLU A 81 5.216 7.641 5.401 1.00 0.00 C ATOM 1232 CG GLU A 81 6.458 7.520 4.474 1.00 0.00 C ATOM 1233 CD GLU A 81 7.546 6.554 5.010 1.00 0.00 C ATOM 1234 OE1 GLU A 81 8.232 6.899 5.994 1.00 0.00 O ATOM 1235 OE2 GLU A 81 7.732 5.451 4.450 1.00 0.00 O ATOM 0 H GLU A 81 3.187 8.207 6.748 1.00 0.00 H new ATOM 0 HA GLU A 81 4.635 9.586 4.670 1.00 0.00 H new ATOM 0 HB2 GLU A 81 5.552 7.932 6.396 1.00 0.00 H new ATOM 0 HB3 GLU A 81 4.756 6.658 5.495 1.00 0.00 H new ATOM 0 HG2 GLU A 81 6.134 7.178 3.491 1.00 0.00 H new ATOM 0 HG3 GLU A 81 6.897 8.508 4.339 1.00 0.00 H new ATOM 1242 N LEU A 82 2.226 7.486 3.828 1.00 0.00 N ATOM 1243 CA LEU A 82 1.353 7.016 2.712 1.00 0.00 C ATOM 1244 C LEU A 82 0.825 8.211 1.912 1.00 0.00 C ATOM 1245 O LEU A 82 0.704 8.160 0.681 1.00 0.00 O ATOM 1246 CB LEU A 82 0.140 6.174 3.233 1.00 0.00 C ATOM 1247 CG LEU A 82 0.462 4.783 3.867 1.00 0.00 C ATOM 1248 CD1 LEU A 82 -0.816 4.110 4.437 1.00 0.00 C ATOM 1249 CD2 LEU A 82 1.167 3.859 2.856 1.00 0.00 C ATOM 0 H LEU A 82 1.862 7.249 4.751 1.00 0.00 H new ATOM 0 HA LEU A 82 1.965 6.379 2.073 1.00 0.00 H new ATOM 0 HB2 LEU A 82 -0.392 6.769 3.975 1.00 0.00 H new ATOM 0 HB3 LEU A 82 -0.545 6.016 2.400 1.00 0.00 H new ATOM 0 HG LEU A 82 1.146 4.954 4.699 1.00 0.00 H new ATOM 0 HD11 LEU A 82 -0.556 3.144 4.870 1.00 0.00 H new ATOM 0 HD12 LEU A 82 -1.251 4.748 5.206 1.00 0.00 H new ATOM 0 HD13 LEU A 82 -1.539 3.965 3.635 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.378 2.899 3.326 1.00 0.00 H new ATOM 0 HD22 LEU A 82 0.521 3.705 1.992 1.00 0.00 H new ATOM 0 HD23 LEU A 82 2.101 4.318 2.534 1.00 0.00 H new ATOM 1261 N ASP A 83 0.514 9.277 2.650 1.00 0.00 N ATOM 1262 CA ASP A 83 0.064 10.548 2.085 1.00 0.00 C ATOM 1263 C ASP A 83 1.232 11.247 1.360 1.00 0.00 C ATOM 1264 O ASP A 83 1.048 11.814 0.287 1.00 0.00 O ATOM 1265 CB ASP A 83 -0.509 11.437 3.217 1.00 0.00 C ATOM 1266 CG ASP A 83 -1.111 12.762 2.723 1.00 0.00 C ATOM 1267 OD1 ASP A 83 -2.304 12.774 2.334 1.00 0.00 O ATOM 1268 OD2 ASP A 83 -0.406 13.795 2.729 1.00 0.00 O ATOM 0 H ASP A 83 0.568 9.282 3.669 1.00 0.00 H new ATOM 0 HA ASP A 83 -0.723 10.370 1.352 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -1.276 10.878 3.752 1.00 0.00 H new ATOM 0 HB3 ASP A 83 0.284 11.654 3.932 1.00 0.00 H new ATOM 1273 N LEU A 84 2.444 11.161 1.948 1.00 0.00 N ATOM 1274 CA LEU A 84 3.667 11.784 1.382 1.00 0.00 C ATOM 1275 C LEU A 84 4.139 11.108 0.078 1.00 0.00 C ATOM 1276 O LEU A 84 4.979 11.667 -0.633 1.00 0.00 O ATOM 1277 CB LEU A 84 4.816 11.784 2.422 1.00 0.00 C ATOM 1278 CG LEU A 84 4.562 12.617 3.717 1.00 0.00 C ATOM 1279 CD1 LEU A 84 5.790 12.581 4.655 1.00 0.00 C ATOM 1280 CD2 LEU A 84 4.134 14.073 3.383 1.00 0.00 C ATOM 0 H LEU A 84 2.606 10.662 2.823 1.00 0.00 H new ATOM 0 HA LEU A 84 3.399 12.811 1.134 1.00 0.00 H new ATOM 0 HB2 LEU A 84 5.019 10.753 2.710 1.00 0.00 H new ATOM 0 HB3 LEU A 84 5.717 12.164 1.940 1.00 0.00 H new ATOM 0 HG LEU A 84 3.732 12.154 4.250 1.00 0.00 H new ATOM 0 HD11 LEU A 84 5.583 13.170 5.548 1.00 0.00 H new ATOM 0 HD12 LEU A 84 6.000 11.550 4.941 1.00 0.00 H new ATOM 0 HD13 LEU A 84 6.655 12.997 4.138 1.00 0.00 H new ATOM 0 HD21 LEU A 84 3.966 14.624 4.308 1.00 0.00 H new ATOM 0 HD22 LEU A 84 4.921 14.561 2.808 1.00 0.00 H new ATOM 0 HD23 LEU A 84 3.215 14.057 2.798 1.00 0.00 H new ATOM 1292 N LEU A 85 3.604 9.908 -0.219 1.00 0.00 N ATOM 1293 CA LEU A 85 3.931 9.168 -1.454 1.00 0.00 C ATOM 1294 C LEU A 85 3.315 9.863 -2.674 1.00 0.00 C ATOM 1295 O LEU A 85 2.096 10.084 -2.722 1.00 0.00 O ATOM 1296 CB LEU A 85 3.425 7.711 -1.383 1.00 0.00 C ATOM 1297 CG LEU A 85 3.878 6.902 -0.140 1.00 0.00 C ATOM 1298 CD1 LEU A 85 3.225 5.520 -0.138 1.00 0.00 C ATOM 1299 CD2 LEU A 85 5.423 6.815 -0.005 1.00 0.00 C ATOM 0 H LEU A 85 2.938 9.427 0.385 1.00 0.00 H new ATOM 0 HA LEU A 85 5.016 9.156 -1.553 1.00 0.00 H new ATOM 0 HB2 LEU A 85 2.335 7.722 -1.409 1.00 0.00 H new ATOM 0 HB3 LEU A 85 3.760 7.186 -2.277 1.00 0.00 H new ATOM 0 HG LEU A 85 3.538 7.444 0.742 1.00 0.00 H new ATOM 0 HD11 LEU A 85 3.553 4.964 0.740 1.00 0.00 H new ATOM 0 HD12 LEU A 85 2.141 5.630 -0.114 1.00 0.00 H new ATOM 0 HD13 LEU A 85 3.515 4.979 -1.039 1.00 0.00 H new ATOM 0 HD21 LEU A 85 5.679 6.237 0.883 1.00 0.00 H new ATOM 0 HD22 LEU A 85 5.838 6.328 -0.887 1.00 0.00 H new ATOM 0 HD23 LEU A 85 5.838 7.819 0.084 1.00 0.00 H new ATOM 1311 N GLU A 86 4.167 10.214 -3.638 1.00 0.00 N ATOM 1312 CA GLU A 86 3.735 10.835 -4.909 1.00 0.00 C ATOM 1313 C GLU A 86 3.519 9.761 -5.990 1.00 0.00 C ATOM 1314 O GLU A 86 2.778 9.984 -6.956 1.00 0.00 O ATOM 1315 CB GLU A 86 4.773 11.888 -5.384 1.00 0.00 C ATOM 1316 CG GLU A 86 6.204 11.337 -5.615 1.00 0.00 C ATOM 1317 CD GLU A 86 7.166 12.377 -6.206 1.00 0.00 C ATOM 1318 OE1 GLU A 86 7.211 12.520 -7.445 1.00 0.00 O ATOM 1319 OE2 GLU A 86 7.873 13.065 -5.444 1.00 0.00 O ATOM 0 H GLU A 86 5.176 10.080 -3.568 1.00 0.00 H new ATOM 0 HA GLU A 86 2.786 11.344 -4.737 1.00 0.00 H new ATOM 0 HB2 GLU A 86 4.417 12.334 -6.313 1.00 0.00 H new ATOM 0 HB3 GLU A 86 4.822 12.687 -4.645 1.00 0.00 H new ATOM 0 HG2 GLU A 86 6.605 10.978 -4.667 1.00 0.00 H new ATOM 0 HG3 GLU A 86 6.152 10.478 -6.285 1.00 0.00 H new ATOM 1326 N THR A 87 4.175 8.589 -5.810 1.00 0.00 N ATOM 1327 CA THR A 87 4.097 7.453 -6.757 1.00 0.00 C ATOM 1328 C THR A 87 3.865 6.122 -6.011 1.00 0.00 C ATOM 1329 O THR A 87 4.152 5.991 -4.804 1.00 0.00 O ATOM 1330 CB THR A 87 5.405 7.336 -7.620 1.00 0.00 C ATOM 1331 OG1 THR A 87 6.524 7.059 -6.765 1.00 0.00 O ATOM 1332 CG2 THR A 87 5.684 8.618 -8.440 1.00 0.00 C ATOM 0 H THR A 87 4.773 8.406 -5.004 1.00 0.00 H new ATOM 0 HA THR A 87 3.252 7.648 -7.417 1.00 0.00 H new ATOM 0 HB THR A 87 5.258 6.520 -8.327 1.00 0.00 H new ATOM 0 HG1 THR A 87 7.338 6.985 -7.305 1.00 0.00 H new ATOM 0 HG21 THR A 87 6.598 8.488 -9.019 1.00 0.00 H new ATOM 0 HG22 THR A 87 4.850 8.806 -9.116 1.00 0.00 H new ATOM 0 HG23 THR A 87 5.801 9.464 -7.763 1.00 0.00 H new ATOM 1340 N VAL A 88 3.352 5.128 -6.759 1.00 0.00 N ATOM 1341 CA VAL A 88 3.179 3.755 -6.253 1.00 0.00 C ATOM 1342 C VAL A 88 4.553 3.088 -6.050 1.00 0.00 C ATOM 1343 O VAL A 88 4.701 2.209 -5.210 1.00 0.00 O ATOM 1344 CB VAL A 88 2.297 2.883 -7.225 1.00 0.00 C ATOM 1345 CG1 VAL A 88 1.983 1.493 -6.629 1.00 0.00 C ATOM 1346 CG2 VAL A 88 0.999 3.610 -7.618 1.00 0.00 C ATOM 0 H VAL A 88 3.048 5.253 -7.725 1.00 0.00 H new ATOM 0 HA VAL A 88 2.660 3.818 -5.296 1.00 0.00 H new ATOM 0 HB VAL A 88 2.886 2.731 -8.129 1.00 0.00 H new ATOM 0 HG11 VAL A 88 1.373 0.925 -7.332 1.00 0.00 H new ATOM 0 HG12 VAL A 88 2.914 0.958 -6.442 1.00 0.00 H new ATOM 0 HG13 VAL A 88 1.440 1.613 -5.692 1.00 0.00 H new ATOM 0 HG21 VAL A 88 0.417 2.978 -8.289 1.00 0.00 H new ATOM 0 HG22 VAL A 88 0.416 3.823 -6.722 1.00 0.00 H new ATOM 0 HG23 VAL A 88 1.244 4.545 -8.122 1.00 0.00 H new ATOM 1356 N ASP A 89 5.552 3.544 -6.828 1.00 0.00 N ATOM 1357 CA ASP A 89 6.945 3.094 -6.695 1.00 0.00 C ATOM 1358 C ASP A 89 7.488 3.436 -5.297 1.00 0.00 C ATOM 1359 O ASP A 89 8.106 2.593 -4.651 1.00 0.00 O ATOM 1360 CB ASP A 89 7.814 3.728 -7.805 1.00 0.00 C ATOM 1361 CG ASP A 89 9.259 3.201 -7.801 1.00 0.00 C ATOM 1362 OD1 ASP A 89 9.477 2.031 -8.176 1.00 0.00 O ATOM 1363 OD2 ASP A 89 10.182 3.945 -7.422 1.00 0.00 O ATOM 0 H ASP A 89 5.414 4.235 -7.566 1.00 0.00 H new ATOM 0 HA ASP A 89 6.982 2.011 -6.811 1.00 0.00 H new ATOM 0 HB2 ASP A 89 7.361 3.526 -8.775 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.826 4.810 -7.678 1.00 0.00 H new ATOM 1368 N GLU A 90 7.194 4.672 -4.836 1.00 0.00 N ATOM 1369 CA GLU A 90 7.492 5.118 -3.462 1.00 0.00 C ATOM 1370 C GLU A 90 6.760 4.249 -2.411 1.00 0.00 C ATOM 1371 O GLU A 90 7.276 4.059 -1.311 1.00 0.00 O ATOM 1372 CB GLU A 90 7.123 6.624 -3.271 1.00 0.00 C ATOM 1373 CG GLU A 90 8.081 7.625 -3.948 1.00 0.00 C ATOM 1374 CD GLU A 90 9.527 7.556 -3.409 1.00 0.00 C ATOM 1375 OE1 GLU A 90 9.717 7.577 -2.169 1.00 0.00 O ATOM 1376 OE2 GLU A 90 10.482 7.487 -4.220 1.00 0.00 O ATOM 0 H GLU A 90 6.744 5.386 -5.408 1.00 0.00 H new ATOM 0 HA GLU A 90 8.565 5.000 -3.309 1.00 0.00 H new ATOM 0 HB2 GLU A 90 6.118 6.788 -3.660 1.00 0.00 H new ATOM 0 HB3 GLU A 90 7.091 6.841 -2.203 1.00 0.00 H new ATOM 0 HG2 GLU A 90 8.092 7.435 -5.021 1.00 0.00 H new ATOM 0 HG3 GLU A 90 7.697 8.635 -3.807 1.00 0.00 H new ATOM 1383 N LEU A 91 5.555 3.746 -2.753 1.00 0.00 N ATOM 1384 CA LEU A 91 4.794 2.811 -1.872 1.00 0.00 C ATOM 1385 C LEU A 91 5.480 1.437 -1.737 1.00 0.00 C ATOM 1386 O LEU A 91 5.533 0.869 -0.636 1.00 0.00 O ATOM 1387 CB LEU A 91 3.335 2.666 -2.370 1.00 0.00 C ATOM 1388 CG LEU A 91 2.418 1.674 -1.582 1.00 0.00 C ATOM 1389 CD1 LEU A 91 2.391 1.962 -0.057 1.00 0.00 C ATOM 1390 CD2 LEU A 91 1.007 1.696 -2.169 1.00 0.00 C ATOM 0 H LEU A 91 5.082 3.966 -3.629 1.00 0.00 H new ATOM 0 HA LEU A 91 4.779 3.246 -0.873 1.00 0.00 H new ATOM 0 HB2 LEU A 91 2.869 3.651 -2.348 1.00 0.00 H new ATOM 0 HB3 LEU A 91 3.361 2.349 -3.413 1.00 0.00 H new ATOM 0 HG LEU A 91 2.842 0.676 -1.695 1.00 0.00 H new ATOM 0 HD11 LEU A 91 1.739 1.242 0.438 1.00 0.00 H new ATOM 0 HD12 LEU A 91 3.399 1.876 0.348 1.00 0.00 H new ATOM 0 HD13 LEU A 91 2.016 2.971 0.116 1.00 0.00 H new ATOM 0 HD21 LEU A 91 0.372 1.003 -1.617 1.00 0.00 H new ATOM 0 HD22 LEU A 91 0.597 2.703 -2.093 1.00 0.00 H new ATOM 0 HD23 LEU A 91 1.044 1.397 -3.217 1.00 0.00 H new ATOM 1402 N PHE A 92 6.006 0.914 -2.857 1.00 0.00 N ATOM 1403 CA PHE A 92 6.799 -0.336 -2.860 1.00 0.00 C ATOM 1404 C PHE A 92 8.056 -0.165 -1.975 1.00 0.00 C ATOM 1405 O PHE A 92 8.423 -1.067 -1.207 1.00 0.00 O ATOM 1406 CB PHE A 92 7.177 -0.744 -4.312 1.00 0.00 C ATOM 1407 CG PHE A 92 5.996 -1.271 -5.146 1.00 0.00 C ATOM 1408 CD1 PHE A 92 5.418 -2.502 -4.843 1.00 0.00 C ATOM 1409 CD2 PHE A 92 5.469 -0.557 -6.229 1.00 0.00 C ATOM 1410 CE1 PHE A 92 4.352 -2.990 -5.575 1.00 0.00 C ATOM 1411 CE2 PHE A 92 4.402 -1.053 -6.958 1.00 0.00 C ATOM 1412 CZ PHE A 92 3.847 -2.272 -6.633 1.00 0.00 C ATOM 0 H PHE A 92 5.898 1.337 -3.779 1.00 0.00 H new ATOM 0 HA PHE A 92 6.195 -1.141 -2.442 1.00 0.00 H new ATOM 0 HB2 PHE A 92 7.609 0.119 -4.819 1.00 0.00 H new ATOM 0 HB3 PHE A 92 7.950 -1.511 -4.272 1.00 0.00 H new ATOM 0 HD1 PHE A 92 5.810 -3.085 -4.022 1.00 0.00 H new ATOM 0 HD2 PHE A 92 5.901 0.395 -6.500 1.00 0.00 H new ATOM 0 HE1 PHE A 92 3.913 -3.942 -5.314 1.00 0.00 H new ATOM 0 HE2 PHE A 92 4.003 -0.483 -7.784 1.00 0.00 H new ATOM 0 HZ PHE A 92 3.019 -2.661 -7.207 1.00 0.00 H new ATOM 1422 N GLN A 93 8.674 1.033 -2.079 1.00 0.00 N ATOM 1423 CA GLN A 93 9.812 1.434 -1.236 1.00 0.00 C ATOM 1424 C GLN A 93 9.400 1.529 0.242 1.00 0.00 C ATOM 1425 O GLN A 93 10.162 1.125 1.097 1.00 0.00 O ATOM 1426 CB GLN A 93 10.385 2.802 -1.687 1.00 0.00 C ATOM 1427 CG GLN A 93 10.900 2.850 -3.139 1.00 0.00 C ATOM 1428 CD GLN A 93 11.399 4.236 -3.554 1.00 0.00 C ATOM 1429 OE1 GLN A 93 11.912 4.997 -2.739 1.00 0.00 O ATOM 1430 NE2 GLN A 93 11.234 4.581 -4.812 1.00 0.00 N ATOM 0 H GLN A 93 8.394 1.746 -2.752 1.00 0.00 H new ATOM 0 HA GLN A 93 10.579 0.667 -1.348 1.00 0.00 H new ATOM 0 HB2 GLN A 93 9.611 3.560 -1.568 1.00 0.00 H new ATOM 0 HB3 GLN A 93 11.202 3.074 -1.019 1.00 0.00 H new ATOM 0 HG2 GLN A 93 11.709 2.129 -3.255 1.00 0.00 H new ATOM 0 HG3 GLN A 93 10.100 2.542 -3.812 1.00 0.00 H new ATOM 0 HE21 GLN A 93 10.805 3.928 -5.468 1.00 0.00 H new ATOM 0 HE22 GLN A 93 11.535 5.501 -5.132 1.00 0.00 H new ATOM 1439 N LEU A 94 8.189 2.073 0.502 1.00 0.00 N ATOM 1440 CA LEU A 94 7.660 2.321 1.866 1.00 0.00 C ATOM 1441 C LEU A 94 7.569 1.020 2.660 1.00 0.00 C ATOM 1442 O LEU A 94 8.051 0.945 3.794 1.00 0.00 O ATOM 1443 CB LEU A 94 6.268 3.036 1.794 1.00 0.00 C ATOM 1444 CG LEU A 94 5.475 3.224 3.158 1.00 0.00 C ATOM 1445 CD1 LEU A 94 4.691 4.546 3.181 1.00 0.00 C ATOM 1446 CD2 LEU A 94 4.511 2.041 3.464 1.00 0.00 C ATOM 0 H LEU A 94 7.544 2.356 -0.236 1.00 0.00 H new ATOM 0 HA LEU A 94 8.353 2.981 2.388 1.00 0.00 H new ATOM 0 HB2 LEU A 94 6.417 4.021 1.352 1.00 0.00 H new ATOM 0 HB3 LEU A 94 5.634 2.472 1.110 1.00 0.00 H new ATOM 0 HG LEU A 94 6.236 3.246 3.939 1.00 0.00 H new ATOM 0 HD11 LEU A 94 4.162 4.639 4.129 1.00 0.00 H new ATOM 0 HD12 LEU A 94 5.382 5.381 3.068 1.00 0.00 H new ATOM 0 HD13 LEU A 94 3.972 4.557 2.362 1.00 0.00 H new ATOM 0 HD21 LEU A 94 3.997 2.225 4.408 1.00 0.00 H new ATOM 0 HD22 LEU A 94 3.778 1.953 2.663 1.00 0.00 H new ATOM 0 HD23 LEU A 94 5.082 1.116 3.537 1.00 0.00 H new ATOM 1458 N VAL A 95 6.953 -0.003 2.048 1.00 0.00 N ATOM 1459 CA VAL A 95 6.762 -1.300 2.701 1.00 0.00 C ATOM 1460 C VAL A 95 8.132 -1.933 3.005 1.00 0.00 C ATOM 1461 O VAL A 95 8.397 -2.269 4.154 1.00 0.00 O ATOM 1462 CB VAL A 95 5.857 -2.268 1.859 1.00 0.00 C ATOM 1463 CG1 VAL A 95 5.666 -3.638 2.564 1.00 0.00 C ATOM 1464 CG2 VAL A 95 4.488 -1.605 1.557 1.00 0.00 C ATOM 0 H VAL A 95 6.579 0.047 1.100 1.00 0.00 H new ATOM 0 HA VAL A 95 6.232 -1.130 3.638 1.00 0.00 H new ATOM 0 HB VAL A 95 6.367 -2.460 0.915 1.00 0.00 H new ATOM 0 HG11 VAL A 95 5.034 -4.279 1.949 1.00 0.00 H new ATOM 0 HG12 VAL A 95 6.637 -4.113 2.705 1.00 0.00 H new ATOM 0 HG13 VAL A 95 5.193 -3.485 3.534 1.00 0.00 H new ATOM 0 HG21 VAL A 95 3.873 -2.290 0.973 1.00 0.00 H new ATOM 0 HG22 VAL A 95 3.982 -1.372 2.494 1.00 0.00 H new ATOM 0 HG23 VAL A 95 4.645 -0.686 0.992 1.00 0.00 H new ATOM 1474 N GLU A 96 9.014 -1.997 1.978 1.00 0.00 N ATOM 1475 CA GLU A 96 10.386 -2.570 2.113 1.00 0.00 C ATOM 1476 C GLU A 96 11.281 -1.742 3.068 1.00 0.00 C ATOM 1477 O GLU A 96 12.227 -2.275 3.642 1.00 0.00 O ATOM 1478 CB GLU A 96 11.058 -2.703 0.721 1.00 0.00 C ATOM 1479 CG GLU A 96 10.341 -3.658 -0.254 1.00 0.00 C ATOM 1480 CD GLU A 96 10.297 -5.121 0.244 1.00 0.00 C ATOM 1481 OE1 GLU A 96 9.381 -5.479 1.017 1.00 0.00 O ATOM 1482 OE2 GLU A 96 11.176 -5.928 -0.137 1.00 0.00 O ATOM 0 H GLU A 96 8.803 -1.658 1.040 1.00 0.00 H new ATOM 0 HA GLU A 96 10.276 -3.561 2.554 1.00 0.00 H new ATOM 0 HB2 GLU A 96 11.114 -1.715 0.264 1.00 0.00 H new ATOM 0 HB3 GLU A 96 12.082 -3.049 0.859 1.00 0.00 H new ATOM 0 HG2 GLU A 96 9.322 -3.305 -0.414 1.00 0.00 H new ATOM 0 HG3 GLU A 96 10.845 -3.625 -1.220 1.00 0.00 H new ATOM 1489 N LYS A 97 10.956 -0.449 3.232 1.00 0.00 N ATOM 1490 CA LYS A 97 11.677 0.484 4.127 1.00 0.00 C ATOM 1491 C LYS A 97 11.464 0.071 5.593 1.00 0.00 C ATOM 1492 O LYS A 97 12.416 -0.101 6.345 1.00 0.00 O ATOM 1493 CB LYS A 97 11.152 1.924 3.898 1.00 0.00 C ATOM 1494 CG LYS A 97 11.838 3.040 4.713 1.00 0.00 C ATOM 1495 CD LYS A 97 11.133 4.412 4.533 1.00 0.00 C ATOM 1496 CE LYS A 97 10.989 4.833 3.052 1.00 0.00 C ATOM 1497 NZ LYS A 97 10.247 6.113 2.897 1.00 0.00 N ATOM 0 H LYS A 97 10.175 -0.012 2.742 1.00 0.00 H new ATOM 0 HA LYS A 97 12.744 0.450 3.905 1.00 0.00 H new ATOM 0 HB2 LYS A 97 11.255 2.161 2.839 1.00 0.00 H new ATOM 0 HB3 LYS A 97 10.086 1.940 4.126 1.00 0.00 H new ATOM 0 HG2 LYS A 97 11.839 2.769 5.769 1.00 0.00 H new ATOM 0 HG3 LYS A 97 12.880 3.125 4.405 1.00 0.00 H new ATOM 0 HD2 LYS A 97 10.144 4.368 4.989 1.00 0.00 H new ATOM 0 HD3 LYS A 97 11.697 5.176 5.068 1.00 0.00 H new ATOM 0 HE2 LYS A 97 11.979 4.934 2.608 1.00 0.00 H new ATOM 0 HE3 LYS A 97 10.471 4.047 2.502 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 10.293 6.423 1.905 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 9.253 5.974 3.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 10.675 6.839 3.506 1.00 0.00 H new ATOM 1511 N HIS A 98 10.188 -0.105 5.951 1.00 0.00 N ATOM 1512 CA HIS A 98 9.761 -0.450 7.328 1.00 0.00 C ATOM 1513 C HIS A 98 9.881 -1.968 7.592 1.00 0.00 C ATOM 1514 O HIS A 98 9.862 -2.406 8.746 1.00 0.00 O ATOM 1515 CB HIS A 98 8.320 0.080 7.583 1.00 0.00 C ATOM 1516 CG HIS A 98 8.221 1.595 7.533 1.00 0.00 C ATOM 1517 ND1 HIS A 98 8.384 2.401 8.639 1.00 0.00 N ATOM 1518 CD2 HIS A 98 7.994 2.450 6.499 1.00 0.00 C ATOM 1519 CE1 HIS A 98 8.275 3.668 8.289 1.00 0.00 C ATOM 1520 NE2 HIS A 98 8.033 3.722 6.997 1.00 0.00 N ATOM 0 H HIS A 98 9.411 -0.014 5.296 1.00 0.00 H new ATOM 0 HA HIS A 98 10.430 0.038 8.037 1.00 0.00 H new ATOM 0 HB2 HIS A 98 7.646 -0.346 6.840 1.00 0.00 H new ATOM 0 HB3 HIS A 98 7.979 -0.268 8.558 1.00 0.00 H new ATOM 0 HD1 HIS A 98 8.562 2.068 9.586 1.00 0.00 H new ATOM 0 HD2 HIS A 98 7.815 2.173 5.470 1.00 0.00 H new ATOM 0 HE1 HIS A 98 8.368 4.517 8.950 1.00 0.00 H new ATOM 1529 N ARG A 99 9.998 -2.755 6.505 1.00 0.00 N ATOM 1530 CA ARG A 99 10.182 -4.225 6.556 1.00 0.00 C ATOM 1531 C ARG A 99 11.662 -4.545 6.869 1.00 0.00 C ATOM 1532 O ARG A 99 11.954 -5.440 7.671 1.00 0.00 O ATOM 1533 CB ARG A 99 9.715 -4.834 5.193 1.00 0.00 C ATOM 1534 CG ARG A 99 9.452 -6.368 5.120 1.00 0.00 C ATOM 1535 CD ARG A 99 10.693 -7.227 4.774 1.00 0.00 C ATOM 1536 NE ARG A 99 11.411 -7.709 5.969 1.00 0.00 N ATOM 1537 CZ ARG A 99 12.359 -8.657 5.973 1.00 0.00 C ATOM 1538 NH1 ARG A 99 12.778 -9.222 4.843 1.00 0.00 N ATOM 1539 NH2 ARG A 99 12.907 -9.030 7.118 1.00 0.00 N ATOM 0 H ARG A 99 9.968 -2.387 5.554 1.00 0.00 H new ATOM 0 HA ARG A 99 9.580 -4.670 7.348 1.00 0.00 H new ATOM 0 HB2 ARG A 99 8.797 -4.325 4.899 1.00 0.00 H new ATOM 0 HB3 ARG A 99 10.469 -4.590 4.444 1.00 0.00 H new ATOM 0 HG2 ARG A 99 9.055 -6.700 6.079 1.00 0.00 H new ATOM 0 HG3 ARG A 99 8.680 -6.554 4.374 1.00 0.00 H new ATOM 0 HD2 ARG A 99 10.381 -8.082 4.175 1.00 0.00 H new ATOM 0 HD3 ARG A 99 11.375 -6.639 4.159 1.00 0.00 H new ATOM 0 HE ARG A 99 11.166 -7.287 6.865 1.00 0.00 H new ATOM 0 HH11 ARG A 99 12.377 -8.935 3.950 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.501 -9.941 4.870 1.00 0.00 H new ATOM 0 HH21 ARG A 99 12.608 -8.597 7.992 1.00 0.00 H new ATOM 0 HH22 ARG A 99 13.629 -9.751 7.127 1.00 0.00 H new ATOM 1553 N ALA A 100 12.581 -3.785 6.236 1.00 0.00 N ATOM 1554 CA ALA A 100 14.039 -3.928 6.441 1.00 0.00 C ATOM 1555 C ALA A 100 14.472 -3.254 7.757 1.00 0.00 C ATOM 1556 O ALA A 100 15.154 -3.862 8.589 1.00 0.00 O ATOM 1557 CB ALA A 100 14.809 -3.340 5.242 1.00 0.00 C ATOM 0 H ALA A 100 12.333 -3.055 5.568 1.00 0.00 H new ATOM 0 HA ALA A 100 14.277 -4.989 6.513 1.00 0.00 H new ATOM 0 HB1 ALA A 100 15.881 -3.452 5.407 1.00 0.00 H new ATOM 0 HB2 ALA A 100 14.525 -3.869 4.332 1.00 0.00 H new ATOM 0 HB3 ALA A 100 14.567 -2.282 5.138 1.00 0.00 H new ATOM 1563 N ALA A 101 14.076 -1.984 7.926 1.00 0.00 N ATOM 1564 CA ALA A 101 14.338 -1.215 9.151 1.00 0.00 C ATOM 1565 C ALA A 101 13.243 -1.525 10.183 1.00 0.00 C ATOM 1566 O ALA A 101 12.139 -0.977 10.106 1.00 0.00 O ATOM 1567 CB ALA A 101 14.412 0.292 8.844 1.00 0.00 C ATOM 0 H ALA A 101 13.564 -1.460 7.216 1.00 0.00 H new ATOM 0 HA ALA A 101 15.304 -1.506 9.565 1.00 0.00 H new ATOM 0 HB1 ALA A 101 14.607 0.842 9.765 1.00 0.00 H new ATOM 0 HB2 ALA A 101 15.216 0.479 8.133 1.00 0.00 H new ATOM 0 HB3 ALA A 101 13.465 0.623 8.417 1.00 0.00 H new