USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 677 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 GLN : amide:sc= 0 X(o=-0.93,f=-1) USER MOD Set 1.2: A 121 SER OG : rot 180:sc= -0.926 USER MOD Set 2.1: A 112 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 116 ASN : amide:sc= 0.955 K(o=0.96,f=-0.24) USER MOD Set 3.1: A 79 GLN :FLIP amide:sc= -5.04! C(o=-9.5!,f=-8.1!) USER MOD Set 3.2: A 101 SER OG : rot 95:sc= -3.03! USER MOD Set 4.1: A 55 CYS SG : rot 40:sc= 1.21 USER MOD Set 4.2: A 69 HIS : no HD1:sc= -0.0214 X(o=1.2,f=1.1) USER MOD Single : A 29 ASN : amide:sc= -0.317 X(o=-0.32,f=-0.037) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 174:sc= 0 USER MOD Single : A 36 SER OG : rot 150:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0293 USER MOD Single : A 39 SER OG : rot 112:sc= 0.0683 USER MOD Single : A 42 MET CE :methyl 144:sc= -1.49 (180deg=-5.26!) USER MOD Single : A 43 MET CE :methyl 148:sc= -1.12 (180deg=-2.15) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= -0.238 X(o=-0.24,f=-0.11) USER MOD Single : A 54 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 59 GLN : amide:sc= -0.124 K(o=-0.12,f=-1.5!) USER MOD Single : A 67 CYS SG : rot 155:sc= -0.713 USER MOD Single : A 73 HIS :FLIP no HE2:sc= -1.13 F(o=-2.6!,f=-1.1) USER MOD Single : A 76 ASN : amide:sc= -1.7 K(o=-1.7,f=-9!) USER MOD Single : A 82 MET CE :methyl -115:sc= -5.97! (180deg=-6.42!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -2.38 K(o=-2.4,f=-10!) USER MOD Single : A 98 LYS NZ :NH3+ 172:sc= 0.00341 (180deg=0.00153) USER MOD Single : A 103 THR OG1 : rot 27:sc= 0.162 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0261 USER MOD Single : A 108 LYS NZ :NH3+ 151:sc= -1.78! (180deg=-3.76!) USER MOD Single : A 109 ASN :FLIP amide:sc= -1.7 F(o=-3.3!,f=-1.7) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.013) USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.083 -14.505 3.140 1.00 0.00 N ATOM 458 CA ASN A 29 4.142 -13.398 3.021 1.00 0.00 C ATOM 459 C ASN A 29 4.047 -12.917 1.576 1.00 0.00 C ATOM 460 O ASN A 29 5.054 -12.826 0.873 1.00 0.00 O ATOM 461 CB ASN A 29 4.566 -12.241 3.929 1.00 0.00 C ATOM 462 CG ASN A 29 4.934 -12.706 5.324 1.00 0.00 C ATOM 463 OD1 ASN A 29 4.132 -12.612 6.254 1.00 0.00 O ATOM 464 ND2 ASN A 29 6.152 -13.212 5.477 1.00 0.00 N ATOM 0 HA ASN A 29 3.160 -13.754 3.332 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.418 -11.727 3.484 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.754 -11.517 3.993 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.456 -13.542 6.393 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.784 -13.271 4.678 1.00 0.00 H new ATOM 471 N LEU A 30 2.830 -12.610 1.140 1.00 0.00 N ATOM 472 CA LEU A 30 2.603 -12.137 -0.222 1.00 0.00 C ATOM 473 C LEU A 30 2.356 -10.632 -0.241 1.00 0.00 C ATOM 474 O LEU A 30 1.538 -10.116 0.520 1.00 0.00 O ATOM 475 CB LEU A 30 1.412 -12.868 -0.844 1.00 0.00 C ATOM 476 CG LEU A 30 1.696 -14.267 -1.392 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.396 -14.996 -1.695 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.566 -14.186 -2.638 1.00 0.00 C ATOM 0 H LEU A 30 1.986 -12.680 1.709 1.00 0.00 H new ATOM 0 HA LEU A 30 3.498 -12.348 -0.808 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.626 -12.946 -0.092 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.018 -12.255 -1.655 1.00 0.00 H new ATOM 0 HG LEU A 30 2.236 -14.831 -0.632 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.618 -15.990 -2.084 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.192 -15.087 -0.781 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -0.172 -14.434 -2.437 1.00 0.00 H new ATOM 0 HD21 LEU A 30 2.758 -15.191 -3.014 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.052 -13.604 -3.403 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.512 -13.705 -2.390 1.00 0.00 H new ATOM 490 N TYR A 31 3.068 -9.932 -1.118 1.00 0.00 N ATOM 491 CA TYR A 31 2.927 -8.486 -1.237 1.00 0.00 C ATOM 492 C TYR A 31 2.254 -8.111 -2.554 1.00 0.00 C ATOM 493 O TYR A 31 2.295 -8.869 -3.523 1.00 0.00 O ATOM 494 CB TYR A 31 4.295 -7.809 -1.140 1.00 0.00 C ATOM 495 CG TYR A 31 5.189 -8.400 -0.073 1.00 0.00 C ATOM 496 CD1 TYR A 31 4.802 -8.403 1.262 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.420 -8.956 -0.399 1.00 0.00 C ATOM 498 CE1 TYR A 31 5.615 -8.941 2.240 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.239 -9.498 0.573 1.00 0.00 C ATOM 500 CZ TYR A 31 6.832 -9.488 1.891 1.00 0.00 C ATOM 501 OH TYR A 31 7.646 -10.026 2.862 1.00 0.00 O ATOM 0 H TYR A 31 3.749 -10.343 -1.757 1.00 0.00 H new ATOM 0 HA TYR A 31 2.299 -8.139 -0.417 1.00 0.00 H new ATOM 0 HB2 TYR A 31 4.797 -7.883 -2.105 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.152 -6.748 -0.936 1.00 0.00 H new ATOM 0 HD1 TYR A 31 3.849 -7.977 1.539 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.742 -8.965 -1.430 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.299 -8.933 3.273 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.192 -9.927 0.302 1.00 0.00 H new ATOM 0 HH TYR A 31 8.465 -10.370 2.448 1.00 0.00 H new ATOM 511 N PHE A 32 1.635 -6.935 -2.581 1.00 0.00 N ATOM 512 CA PHE A 32 0.953 -6.457 -3.777 1.00 0.00 C ATOM 513 C PHE A 32 0.829 -4.937 -3.763 1.00 0.00 C ATOM 514 O PHE A 32 0.949 -4.305 -2.713 1.00 0.00 O ATOM 515 CB PHE A 32 -0.435 -7.092 -3.886 1.00 0.00 C ATOM 516 CG PHE A 32 -0.432 -8.580 -3.678 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.379 -9.114 -2.401 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.482 -9.444 -4.760 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.377 -10.482 -2.206 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.480 -10.813 -4.572 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.426 -11.333 -3.293 1.00 0.00 C ATOM 0 H PHE A 32 1.592 -6.296 -1.787 1.00 0.00 H new ATOM 0 HA PHE A 32 1.547 -6.747 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -1.095 -6.632 -3.151 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.850 -6.872 -4.869 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.339 -8.453 -1.548 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.523 -9.043 -5.762 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.337 -10.885 -1.205 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.521 -11.476 -5.424 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.422 -12.403 -3.143 1.00 0.00 H new ATOM 531 N GLN A 33 0.590 -4.357 -4.935 1.00 0.00 N ATOM 532 CA GLN A 33 0.452 -2.911 -5.057 1.00 0.00 C ATOM 533 C GLN A 33 -0.638 -2.551 -6.062 1.00 0.00 C ATOM 534 O GLN A 33 -0.713 -3.130 -7.145 1.00 0.00 O ATOM 535 CB GLN A 33 1.781 -2.284 -5.482 1.00 0.00 C ATOM 536 CG GLN A 33 1.957 -2.195 -6.989 1.00 0.00 C ATOM 537 CD GLN A 33 3.335 -1.706 -7.388 1.00 0.00 C ATOM 538 OE1 GLN A 33 4.302 -2.469 -7.385 1.00 0.00 O ATOM 539 NE2 GLN A 33 3.433 -0.428 -7.734 1.00 0.00 N ATOM 0 H GLN A 33 0.488 -4.866 -5.813 1.00 0.00 H new ATOM 0 HA GLN A 33 0.167 -2.515 -4.082 1.00 0.00 H new ATOM 0 HB2 GLN A 33 1.854 -1.283 -5.056 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.600 -2.869 -5.063 1.00 0.00 H new ATOM 0 HG2 GLN A 33 1.782 -3.176 -7.430 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.204 -1.522 -7.400 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.606 0.168 -7.722 1.00 0.00 H new ATOM 0 HE22 GLN A 33 4.336 -0.043 -8.012 1.00 0.00 H new ATOM 548 N GLY A 34 -1.482 -1.591 -5.694 1.00 0.00 N ATOM 549 CA GLY A 34 -2.556 -1.171 -6.574 1.00 0.00 C ATOM 550 C GLY A 34 -3.768 -0.671 -5.813 1.00 0.00 C ATOM 551 O GLY A 34 -4.833 -1.285 -5.855 1.00 0.00 O ATOM 0 H GLY A 34 -1.441 -1.097 -4.802 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.194 -0.382 -7.233 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.849 -2.007 -7.209 1.00 0.00 H new ATOM 555 N SER A 35 -3.604 0.447 -5.112 1.00 0.00 N ATOM 556 CA SER A 35 -4.692 1.026 -4.333 1.00 0.00 C ATOM 557 C SER A 35 -5.803 1.536 -5.246 1.00 0.00 C ATOM 558 O SER A 35 -5.612 1.679 -6.453 1.00 0.00 O ATOM 559 CB SER A 35 -4.169 2.169 -3.460 1.00 0.00 C ATOM 560 OG SER A 35 -4.119 3.384 -4.187 1.00 0.00 O ATOM 0 H SER A 35 -2.729 0.969 -5.068 1.00 0.00 H new ATOM 0 HA SER A 35 -5.102 0.246 -3.692 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.813 2.289 -2.589 1.00 0.00 H new ATOM 0 HB3 SER A 35 -3.174 1.922 -3.090 1.00 0.00 H new ATOM 0 HG SER A 35 -3.877 4.117 -3.583 1.00 0.00 H new ATOM 566 N SER A 36 -6.964 1.808 -4.659 1.00 0.00 N ATOM 567 CA SER A 36 -8.108 2.298 -5.419 1.00 0.00 C ATOM 568 C SER A 36 -8.474 3.718 -4.996 1.00 0.00 C ATOM 569 O SER A 36 -9.627 4.132 -5.102 1.00 0.00 O ATOM 570 CB SER A 36 -9.310 1.371 -5.227 1.00 0.00 C ATOM 571 OG SER A 36 -9.677 1.289 -3.861 1.00 0.00 O ATOM 0 H SER A 36 -7.137 1.697 -3.660 1.00 0.00 H new ATOM 0 HA SER A 36 -7.833 2.311 -6.474 1.00 0.00 H new ATOM 0 HB2 SER A 36 -10.153 1.738 -5.812 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.070 0.376 -5.603 1.00 0.00 H new ATOM 0 HG SER A 36 -10.641 1.129 -3.790 1.00 0.00 H new ATOM 577 N GLY A 37 -7.481 4.459 -4.514 1.00 0.00 N ATOM 578 CA GLY A 37 -7.717 5.824 -4.081 1.00 0.00 C ATOM 579 C GLY A 37 -6.887 6.200 -2.870 1.00 0.00 C ATOM 580 O GLY A 37 -5.731 6.601 -3.001 1.00 0.00 O ATOM 0 H GLY A 37 -6.518 4.139 -4.416 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -7.489 6.506 -4.900 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.774 5.950 -3.846 1.00 0.00 H new ATOM 584 N SER A 38 -7.479 6.072 -1.686 1.00 0.00 N ATOM 585 CA SER A 38 -6.788 6.406 -0.446 1.00 0.00 C ATOM 586 C SER A 38 -6.551 5.157 0.398 1.00 0.00 C ATOM 587 O SER A 38 -6.941 4.053 0.016 1.00 0.00 O ATOM 588 CB SER A 38 -7.597 7.429 0.353 1.00 0.00 C ATOM 589 OG SER A 38 -6.778 8.111 1.287 1.00 0.00 O ATOM 0 H SER A 38 -8.435 5.740 -1.560 1.00 0.00 H new ATOM 0 HA SER A 38 -5.821 6.838 -0.703 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.054 8.148 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 38 -8.409 6.925 0.877 1.00 0.00 H new ATOM 0 HG SER A 38 -7.319 8.760 1.783 1.00 0.00 H new ATOM 595 N SER A 39 -5.910 5.340 1.547 1.00 0.00 N ATOM 596 CA SER A 39 -5.617 4.228 2.445 1.00 0.00 C ATOM 597 C SER A 39 -6.904 3.559 2.919 1.00 0.00 C ATOM 598 O SER A 39 -6.925 2.364 3.208 1.00 0.00 O ATOM 599 CB SER A 39 -4.809 4.717 3.649 1.00 0.00 C ATOM 600 OG SER A 39 -5.449 5.810 4.283 1.00 0.00 O ATOM 0 H SER A 39 -5.583 6.247 1.879 1.00 0.00 H new ATOM 0 HA SER A 39 -5.028 3.494 1.895 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.683 3.902 4.362 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.811 5.014 3.325 1.00 0.00 H new ATOM 0 HG SER A 39 -5.772 5.533 5.166 1.00 0.00 H new ATOM 606 N GLY A 40 -7.977 4.341 2.995 1.00 0.00 N ATOM 607 CA GLY A 40 -9.253 3.808 3.434 1.00 0.00 C ATOM 608 C GLY A 40 -9.905 2.927 2.387 1.00 0.00 C ATOM 609 O GLY A 40 -10.260 1.781 2.664 1.00 0.00 O ATOM 0 H GLY A 40 -7.985 5.334 2.760 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.108 3.233 4.349 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.923 4.632 3.679 1.00 0.00 H new ATOM 613 N ASP A 41 -10.064 3.462 1.182 1.00 0.00 N ATOM 614 CA ASP A 41 -10.678 2.717 0.089 1.00 0.00 C ATOM 615 C ASP A 41 -10.152 1.286 0.045 1.00 0.00 C ATOM 616 O ASP A 41 -10.916 0.338 -0.136 1.00 0.00 O ATOM 617 CB ASP A 41 -10.410 3.414 -1.246 1.00 0.00 C ATOM 618 CG ASP A 41 -10.771 4.886 -1.212 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.243 5.607 -0.339 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.579 5.318 -2.061 1.00 0.00 O ATOM 0 H ASP A 41 -9.776 4.409 0.937 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.754 2.685 0.263 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.356 3.307 -1.504 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.982 2.920 -2.032 1.00 0.00 H new ATOM 625 N MET A 42 -8.842 1.137 0.210 1.00 0.00 N ATOM 626 CA MET A 42 -8.214 -0.179 0.188 1.00 0.00 C ATOM 627 C MET A 42 -9.070 -1.202 0.927 1.00 0.00 C ATOM 628 O MET A 42 -9.518 -2.188 0.343 1.00 0.00 O ATOM 629 CB MET A 42 -6.820 -0.113 0.817 1.00 0.00 C ATOM 630 CG MET A 42 -5.718 0.204 -0.181 1.00 0.00 C ATOM 631 SD MET A 42 -5.006 -1.277 -0.923 1.00 0.00 S ATOM 632 CE MET A 42 -6.186 -1.601 -2.231 1.00 0.00 C ATOM 0 H MET A 42 -8.195 1.911 0.360 1.00 0.00 H new ATOM 0 HA MET A 42 -8.121 -0.493 -0.852 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.819 0.645 1.600 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.601 -1.067 1.297 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.119 0.843 -0.968 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.932 0.769 0.319 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.663 -1.989 -3.105 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.916 -2.335 -1.889 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.699 -0.676 -2.496 1.00 0.00 H new ATOM 642 N MET A 43 -9.293 -0.961 2.215 1.00 0.00 N ATOM 643 CA MET A 43 -10.097 -1.862 3.033 1.00 0.00 C ATOM 644 C MET A 43 -11.372 -2.269 2.301 1.00 0.00 C ATOM 645 O MET A 43 -11.590 -3.449 2.026 1.00 0.00 O ATOM 646 CB MET A 43 -10.450 -1.197 4.365 1.00 0.00 C ATOM 647 CG MET A 43 -9.309 -0.391 4.964 1.00 0.00 C ATOM 648 SD MET A 43 -9.490 -0.144 6.740 1.00 0.00 S ATOM 649 CE MET A 43 -9.411 -1.835 7.327 1.00 0.00 C ATOM 0 H MET A 43 -8.928 -0.150 2.715 1.00 0.00 H new ATOM 0 HA MET A 43 -9.509 -2.759 3.227 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.309 -0.542 4.218 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.753 -1.965 5.076 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.366 -0.901 4.766 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.256 0.579 4.470 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.951 -1.856 8.315 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.418 -2.247 7.387 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.815 -2.432 6.637 1.00 0.00 H new ATOM 659 N ARG A 44 -12.210 -1.286 1.989 1.00 0.00 N ATOM 660 CA ARG A 44 -13.463 -1.543 1.290 1.00 0.00 C ATOM 661 C ARG A 44 -13.225 -2.379 0.036 1.00 0.00 C ATOM 662 O ARG A 44 -13.762 -3.478 -0.099 1.00 0.00 O ATOM 663 CB ARG A 44 -14.143 -0.225 0.915 1.00 0.00 C ATOM 664 CG ARG A 44 -14.744 0.509 2.102 1.00 0.00 C ATOM 665 CD ARG A 44 -14.730 2.015 1.891 1.00 0.00 C ATOM 666 NE ARG A 44 -15.928 2.483 1.199 1.00 0.00 N ATOM 667 CZ ARG A 44 -17.071 2.762 1.816 1.00 0.00 C ATOM 668 NH1 ARG A 44 -17.171 2.623 3.130 1.00 0.00 N ATOM 669 NH2 ARG A 44 -18.118 3.182 1.117 1.00 0.00 N ATOM 0 H ARG A 44 -12.044 -0.304 2.209 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.115 -2.102 1.961 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.415 0.424 0.428 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -14.929 -0.426 0.187 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.769 0.172 2.259 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.186 0.262 3.005 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -14.650 2.515 2.856 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.847 2.292 1.315 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.885 2.602 0.187 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -16.369 2.301 3.671 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.050 2.838 3.600 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -18.045 3.291 0.105 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.995 3.396 1.591 1.00 0.00 H new ATOM 683 N GLU A 45 -12.417 -1.850 -0.878 1.00 0.00 N ATOM 684 CA GLU A 45 -12.110 -2.548 -2.120 1.00 0.00 C ATOM 685 C GLU A 45 -11.761 -4.009 -1.852 1.00 0.00 C ATOM 686 O GLU A 45 -12.113 -4.895 -2.631 1.00 0.00 O ATOM 687 CB GLU A 45 -10.950 -1.860 -2.844 1.00 0.00 C ATOM 688 CG GLU A 45 -10.987 -2.032 -4.353 1.00 0.00 C ATOM 689 CD GLU A 45 -12.028 -1.152 -5.016 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.063 -0.873 -4.375 1.00 0.00 O ATOM 691 OE2 GLU A 45 -11.809 -0.741 -6.175 1.00 0.00 O ATOM 0 H GLU A 45 -11.964 -0.941 -0.781 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.996 -2.515 -2.754 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.965 -0.796 -2.608 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.009 -2.258 -2.464 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.005 -1.800 -4.765 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.194 -3.075 -4.591 1.00 0.00 H new ATOM 698 N ILE A 46 -11.066 -4.252 -0.746 1.00 0.00 N ATOM 699 CA ILE A 46 -10.670 -5.604 -0.374 1.00 0.00 C ATOM 700 C ILE A 46 -11.881 -6.444 0.018 1.00 0.00 C ATOM 701 O ILE A 46 -12.240 -7.396 -0.675 1.00 0.00 O ATOM 702 CB ILE A 46 -9.665 -5.596 0.793 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.359 -4.925 0.365 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.404 -7.015 1.277 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.610 -4.277 1.509 1.00 0.00 C ATOM 0 H ILE A 46 -10.765 -3.530 -0.092 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.193 -6.045 -1.250 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.092 -5.025 1.617 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.715 -5.668 -0.106 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.578 -4.170 -0.390 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.692 -6.993 2.102 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.339 -7.461 1.616 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.994 -7.609 0.460 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.694 -3.821 1.132 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.236 -3.510 1.966 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.359 -5.032 2.254 1.00 0.00 H new ATOM 717 N ARG A 47 -12.508 -6.083 1.133 1.00 0.00 N ATOM 718 CA ARG A 47 -13.680 -6.803 1.618 1.00 0.00 C ATOM 719 C ARG A 47 -14.601 -7.182 0.462 1.00 0.00 C ATOM 720 O ARG A 47 -15.324 -8.176 0.531 1.00 0.00 O ATOM 721 CB ARG A 47 -14.443 -5.951 2.634 1.00 0.00 C ATOM 722 CG ARG A 47 -13.785 -5.901 4.003 1.00 0.00 C ATOM 723 CD ARG A 47 -14.478 -4.903 4.918 1.00 0.00 C ATOM 724 NE ARG A 47 -14.924 -3.715 4.195 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.084 -3.638 3.552 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.911 -4.675 3.543 1.00 0.00 N ATOM 727 NH2 ARG A 47 -16.419 -2.523 2.917 1.00 0.00 N ATOM 0 H ARG A 47 -12.224 -5.297 1.717 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.339 -7.717 2.104 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.536 -4.936 2.248 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.454 -6.345 2.740 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -13.811 -6.892 4.457 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -12.735 -5.628 3.894 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -15.335 -5.381 5.393 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -13.796 -4.607 5.715 1.00 0.00 H new ATOM 0 HE ARG A 47 -14.311 -2.900 4.183 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -16.657 -5.534 4.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.801 -4.613 3.049 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -15.786 -1.723 2.922 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.310 -2.465 2.424 1.00 0.00 H new ATOM 741 N LYS A 48 -14.570 -6.384 -0.600 1.00 0.00 N ATOM 742 CA LYS A 48 -15.401 -6.635 -1.771 1.00 0.00 C ATOM 743 C LYS A 48 -14.971 -7.916 -2.478 1.00 0.00 C ATOM 744 O LYS A 48 -15.797 -8.778 -2.779 1.00 0.00 O ATOM 745 CB LYS A 48 -15.321 -5.453 -2.741 1.00 0.00 C ATOM 746 CG LYS A 48 -15.913 -5.748 -4.108 1.00 0.00 C ATOM 747 CD LYS A 48 -15.343 -4.827 -5.173 1.00 0.00 C ATOM 748 CE LYS A 48 -15.277 -5.514 -6.528 1.00 0.00 C ATOM 749 NZ LYS A 48 -16.525 -5.309 -7.315 1.00 0.00 N ATOM 0 H LYS A 48 -13.977 -5.557 -0.674 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.432 -6.754 -1.436 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.841 -4.600 -2.305 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.277 -5.162 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.711 -6.785 -4.377 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.996 -5.634 -4.069 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.959 -3.931 -5.248 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.344 -4.504 -4.879 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.426 -5.129 -7.090 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.108 -6.581 -6.386 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -16.441 -5.793 -8.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -17.334 -5.699 -6.791 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -16.673 -4.292 -7.472 1.00 0.00 H new ATOM 763 N VAL A 49 -13.673 -8.036 -2.740 1.00 0.00 N ATOM 764 CA VAL A 49 -13.133 -9.213 -3.409 1.00 0.00 C ATOM 765 C VAL A 49 -13.407 -10.477 -2.603 1.00 0.00 C ATOM 766 O VAL A 49 -13.683 -11.538 -3.165 1.00 0.00 O ATOM 767 CB VAL A 49 -11.615 -9.082 -3.638 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.160 -10.016 -4.749 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.248 -7.641 -3.958 1.00 0.00 C ATOM 0 H VAL A 49 -12.976 -7.332 -2.499 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.633 -9.286 -4.375 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.100 -9.369 -2.721 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.085 -9.910 -4.896 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.388 -11.046 -4.475 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.680 -9.763 -5.673 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.172 -7.566 -4.117 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.771 -7.324 -4.860 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.537 -6.999 -3.126 1.00 0.00 H new ATOM 779 N LEU A 50 -13.329 -10.358 -1.282 1.00 0.00 N ATOM 780 CA LEU A 50 -13.569 -11.492 -0.396 1.00 0.00 C ATOM 781 C LEU A 50 -14.997 -12.008 -0.546 1.00 0.00 C ATOM 782 O LEU A 50 -15.216 -13.179 -0.852 1.00 0.00 O ATOM 783 CB LEU A 50 -13.309 -11.093 1.058 1.00 0.00 C ATOM 784 CG LEU A 50 -11.980 -10.390 1.333 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.004 -9.719 2.697 1.00 0.00 C ATOM 786 CD2 LEU A 50 -10.825 -11.377 1.242 1.00 0.00 C ATOM 0 H LEU A 50 -13.101 -9.488 -0.801 1.00 0.00 H new ATOM 0 HA LEU A 50 -12.882 -12.291 -0.675 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.118 -10.439 1.384 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.357 -11.991 1.674 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.834 -9.621 0.575 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.050 -9.224 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.806 -8.982 2.726 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.173 -10.470 3.469 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -9.887 -10.859 1.441 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -10.965 -12.169 1.977 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -10.795 -11.811 0.243 1.00 0.00 H new ATOM 798 N GLY A 51 -15.966 -11.123 -0.331 1.00 0.00 N ATOM 799 CA GLY A 51 -17.360 -11.507 -0.449 1.00 0.00 C ATOM 800 C GLY A 51 -17.685 -12.102 -1.805 1.00 0.00 C ATOM 801 O GLY A 51 -18.641 -12.865 -1.943 1.00 0.00 O ATOM 0 H GLY A 51 -15.810 -10.147 -0.077 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.601 -12.231 0.329 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.990 -10.634 -0.278 1.00 0.00 H new ATOM 805 N ALA A 52 -16.889 -11.750 -2.809 1.00 0.00 N ATOM 806 CA ALA A 52 -17.097 -12.254 -4.161 1.00 0.00 C ATOM 807 C ALA A 52 -16.714 -13.727 -4.263 1.00 0.00 C ATOM 808 O ALA A 52 -17.400 -14.513 -4.914 1.00 0.00 O ATOM 809 CB ALA A 52 -16.300 -11.430 -5.161 1.00 0.00 C ATOM 0 H ALA A 52 -16.094 -11.118 -2.712 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.158 -12.164 -4.396 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.465 -11.818 -6.166 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.624 -10.390 -5.116 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.239 -11.490 -4.919 1.00 0.00 H new ATOM 815 N ASN A 53 -15.613 -14.093 -3.614 1.00 0.00 N ATOM 816 CA ASN A 53 -15.138 -15.472 -3.633 1.00 0.00 C ATOM 817 C ASN A 53 -15.594 -16.222 -2.385 1.00 0.00 C ATOM 818 O ASN A 53 -14.852 -17.028 -1.827 1.00 0.00 O ATOM 819 CB ASN A 53 -13.611 -15.506 -3.732 1.00 0.00 C ATOM 820 CG ASN A 53 -13.125 -15.496 -5.168 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.687 -16.519 -5.695 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.200 -14.335 -5.810 1.00 0.00 N ATOM 0 H ASN A 53 -15.034 -13.455 -3.069 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.564 -15.964 -4.507 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.196 -14.647 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.237 -16.399 -3.231 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.888 -14.267 -6.779 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.570 -13.512 -5.334 1.00 0.00 H new ATOM 829 N ASN A 54 -16.821 -15.949 -1.953 1.00 0.00 N ATOM 830 CA ASN A 54 -17.377 -16.598 -0.771 1.00 0.00 C ATOM 831 C ASN A 54 -16.369 -16.599 0.374 1.00 0.00 C ATOM 832 O ASN A 54 -16.170 -17.617 1.038 1.00 0.00 O ATOM 833 CB ASN A 54 -17.795 -18.032 -1.100 1.00 0.00 C ATOM 834 CG ASN A 54 -18.719 -18.105 -2.300 1.00 0.00 C ATOM 835 OD1 ASN A 54 -18.342 -18.608 -3.358 1.00 0.00 O ATOM 836 ND2 ASN A 54 -19.937 -17.600 -2.140 1.00 0.00 N ATOM 0 H ASN A 54 -17.449 -15.283 -2.403 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.255 -16.034 -0.457 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -16.905 -18.631 -1.293 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.293 -18.470 -0.235 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -20.603 -17.620 -2.913 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.207 -17.193 -1.245 1.00 0.00 H new ATOM 843 N CYS A 55 -15.736 -15.453 0.599 1.00 0.00 N ATOM 844 CA CYS A 55 -14.747 -15.322 1.663 1.00 0.00 C ATOM 845 C CYS A 55 -15.262 -14.412 2.774 1.00 0.00 C ATOM 846 O CYS A 55 -15.937 -13.416 2.512 1.00 0.00 O ATOM 847 CB CYS A 55 -13.435 -14.772 1.104 1.00 0.00 C ATOM 848 SG CYS A 55 -12.642 -15.849 -0.114 1.00 0.00 S ATOM 0 H CYS A 55 -15.890 -14.601 0.059 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.567 -16.312 2.082 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.626 -13.802 0.645 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -12.743 -14.604 1.929 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.547 -16.367 -0.890 1.00 0.00 H new ATOM 854 N ASP A 56 -14.940 -14.761 4.014 1.00 0.00 N ATOM 855 CA ASP A 56 -15.370 -13.977 5.166 1.00 0.00 C ATOM 856 C ASP A 56 -14.236 -13.091 5.674 1.00 0.00 C ATOM 857 O ASP A 56 -13.060 -13.420 5.516 1.00 0.00 O ATOM 858 CB ASP A 56 -15.855 -14.898 6.286 1.00 0.00 C ATOM 859 CG ASP A 56 -17.115 -15.653 5.910 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.048 -16.498 4.993 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.168 -15.398 6.531 1.00 0.00 O ATOM 0 H ASP A 56 -14.382 -15.582 4.248 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.194 -13.337 4.851 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.068 -15.611 6.533 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.043 -14.307 7.183 1.00 0.00 H new ATOM 866 N TYR A 57 -14.598 -11.967 6.283 1.00 0.00 N ATOM 867 CA TYR A 57 -13.611 -11.033 6.811 1.00 0.00 C ATOM 868 C TYR A 57 -14.035 -10.510 8.180 1.00 0.00 C ATOM 869 O TYR A 57 -15.222 -10.335 8.449 1.00 0.00 O ATOM 870 CB TYR A 57 -13.417 -9.864 5.844 1.00 0.00 C ATOM 871 CG TYR A 57 -14.709 -9.344 5.254 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.332 -10.007 4.204 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.307 -8.191 5.748 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.511 -9.535 3.662 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.487 -7.713 5.213 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.085 -8.388 4.170 1.00 0.00 C ATOM 877 OH TYR A 57 -18.261 -7.916 3.633 1.00 0.00 O ATOM 0 H TYR A 57 -15.567 -11.681 6.423 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.666 -11.565 6.922 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.913 -9.051 6.367 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.759 -10.179 5.034 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.887 -10.906 3.805 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.841 -7.660 6.564 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.981 -10.061 2.845 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.939 -6.816 5.609 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.532 -7.101 4.105 1.00 0.00 H new ATOM 887 N GLU A 58 -13.053 -10.262 9.041 1.00 0.00 N ATOM 888 CA GLU A 58 -13.323 -9.759 10.383 1.00 0.00 C ATOM 889 C GLU A 58 -12.382 -8.610 10.733 1.00 0.00 C ATOM 890 O GLU A 58 -11.208 -8.826 11.033 1.00 0.00 O ATOM 891 CB GLU A 58 -13.178 -10.883 11.411 1.00 0.00 C ATOM 892 CG GLU A 58 -13.449 -10.440 12.839 1.00 0.00 C ATOM 893 CD GLU A 58 -14.926 -10.442 13.181 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.752 -10.378 12.246 1.00 0.00 O ATOM 895 OE2 GLU A 58 -15.256 -10.507 14.384 1.00 0.00 O ATOM 0 H GLU A 58 -12.064 -10.401 8.833 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.347 -9.386 10.405 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.864 -11.690 11.154 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.169 -11.291 11.351 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.920 -11.100 13.527 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -13.047 -9.438 12.987 1.00 0.00 H new ATOM 902 N GLN A 59 -12.906 -7.390 10.691 1.00 0.00 N ATOM 903 CA GLN A 59 -12.113 -6.207 11.003 1.00 0.00 C ATOM 904 C GLN A 59 -11.634 -6.238 12.451 1.00 0.00 C ATOM 905 O GLN A 59 -12.441 -6.262 13.381 1.00 0.00 O ATOM 906 CB GLN A 59 -12.929 -4.938 10.750 1.00 0.00 C ATOM 907 CG GLN A 59 -12.086 -3.745 10.332 1.00 0.00 C ATOM 908 CD GLN A 59 -12.683 -2.424 10.775 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.817 -2.371 11.252 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.921 -1.347 10.619 1.00 0.00 N ATOM 0 H GLN A 59 -13.876 -7.195 10.444 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.240 -6.204 10.351 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.668 -5.140 9.974 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.479 -4.684 11.656 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.086 -3.847 10.753 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.977 -3.744 9.247 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.987 -1.437 10.219 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.270 -0.430 10.899 1.00 0.00 H new ATOM 919 N ARG A 60 -10.318 -6.238 12.634 1.00 0.00 N ATOM 920 CA ARG A 60 -9.732 -6.268 13.968 1.00 0.00 C ATOM 921 C ARG A 60 -9.376 -4.860 14.438 1.00 0.00 C ATOM 922 O ARG A 60 -9.676 -4.478 15.568 1.00 0.00 O ATOM 923 CB ARG A 60 -8.484 -7.152 13.981 1.00 0.00 C ATOM 924 CG ARG A 60 -8.741 -8.575 13.513 1.00 0.00 C ATOM 925 CD ARG A 60 -9.400 -9.408 14.602 1.00 0.00 C ATOM 926 NE ARG A 60 -10.225 -10.478 14.047 1.00 0.00 N ATOM 927 CZ ARG A 60 -9.750 -11.671 13.706 1.00 0.00 C ATOM 928 NH1 ARG A 60 -8.463 -11.945 13.861 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.565 -12.593 13.208 1.00 0.00 N ATOM 0 H ARG A 60 -9.637 -6.218 11.875 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.471 -6.685 14.652 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.723 -6.701 13.344 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.079 -7.179 14.992 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.379 -8.559 12.629 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.799 -9.038 13.218 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.632 -9.838 15.244 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.016 -8.763 15.229 1.00 0.00 H new ATOM 0 HE ARG A 60 -11.220 -10.299 13.914 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -7.834 -11.239 14.243 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.102 -12.862 13.598 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -11.556 -12.386 13.087 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.200 -13.509 12.946 1.00 0.00 H new ATOM 943 N GLU A 61 -8.734 -4.094 13.561 1.00 0.00 N ATOM 944 CA GLU A 61 -8.336 -2.730 13.887 1.00 0.00 C ATOM 945 C GLU A 61 -8.762 -1.761 12.787 1.00 0.00 C ATOM 946 O GLU A 61 -9.432 -2.149 11.830 1.00 0.00 O ATOM 947 CB GLU A 61 -6.822 -2.652 14.093 1.00 0.00 C ATOM 948 CG GLU A 61 -6.257 -3.809 14.899 1.00 0.00 C ATOM 949 CD GLU A 61 -4.846 -3.544 15.389 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.404 -2.378 15.321 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.185 -4.503 15.840 1.00 0.00 O ATOM 0 H GLU A 61 -8.479 -4.395 12.620 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.836 -2.444 14.812 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.332 -2.625 13.120 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.580 -1.717 14.597 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.905 -4.002 15.754 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.262 -4.710 14.286 1.00 0.00 H new ATOM 958 N ARG A 62 -8.367 -0.501 12.931 1.00 0.00 N ATOM 959 CA ARG A 62 -8.708 0.524 11.951 1.00 0.00 C ATOM 960 C ARG A 62 -8.271 0.104 10.551 1.00 0.00 C ATOM 961 O ARG A 62 -9.084 0.039 9.629 1.00 0.00 O ATOM 962 CB ARG A 62 -8.053 1.855 12.324 1.00 0.00 C ATOM 963 CG ARG A 62 -8.099 2.889 11.212 1.00 0.00 C ATOM 964 CD ARG A 62 -8.074 4.305 11.766 1.00 0.00 C ATOM 965 NE ARG A 62 -6.711 4.786 11.977 1.00 0.00 N ATOM 966 CZ ARG A 62 -6.408 5.818 12.756 1.00 0.00 C ATOM 967 NH1 ARG A 62 -7.367 6.474 13.396 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.144 6.196 12.898 1.00 0.00 N ATOM 0 H ARG A 62 -7.810 -0.165 13.717 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.791 0.647 11.953 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.549 2.260 13.206 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.014 1.675 12.598 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.250 2.744 10.543 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.001 2.746 10.618 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.592 4.973 11.077 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.619 4.335 12.709 1.00 0.00 H new ATOM 0 HE ARG A 62 -5.950 4.303 11.500 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.340 6.186 13.290 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.132 7.266 13.994 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.403 5.694 12.408 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -4.913 6.989 13.497 1.00 0.00 H new ATOM 982 N PHE A 63 -6.981 -0.179 10.399 1.00 0.00 N ATOM 983 CA PHE A 63 -6.436 -0.591 9.111 1.00 0.00 C ATOM 984 C PHE A 63 -6.017 -2.058 9.142 1.00 0.00 C ATOM 985 O PHE A 63 -4.934 -2.417 8.679 1.00 0.00 O ATOM 986 CB PHE A 63 -5.238 0.285 8.737 1.00 0.00 C ATOM 987 CG PHE A 63 -5.624 1.649 8.242 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.247 1.804 7.014 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.364 2.777 9.004 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.603 3.058 6.555 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.718 4.034 8.551 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.339 4.174 7.325 1.00 0.00 C ATOM 0 H PHE A 63 -6.294 -0.130 11.152 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.216 -0.470 8.359 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.591 0.393 9.608 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.655 -0.220 7.967 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.457 0.935 6.409 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.879 2.673 9.963 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.087 3.165 5.596 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.509 4.905 9.154 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.618 5.155 6.969 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.884 -2.902 9.691 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.605 -4.331 9.784 1.00 0.00 C ATOM 1004 C LEU A 64 -7.866 -5.149 9.524 1.00 0.00 C ATOM 1005 O LEU A 64 -8.911 -4.909 10.131 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.037 -4.672 11.162 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.109 -5.885 11.225 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -5.892 -7.169 10.998 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -3.990 -5.754 10.202 1.00 0.00 C ATOM 0 H LEU A 64 -7.785 -2.622 10.078 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.867 -4.582 9.022 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.493 -3.804 11.533 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.870 -4.841 11.844 1.00 0.00 H new ATOM 0 HG LEU A 64 -4.664 -5.926 12.219 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -5.215 -8.022 11.046 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -6.657 -7.269 11.768 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -6.366 -7.137 10.017 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -3.339 -6.626 10.261 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.418 -5.687 9.202 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -3.411 -4.854 10.410 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.761 -6.118 8.620 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.893 -6.974 8.282 1.00 0.00 C ATOM 1023 C LEU A 65 -8.471 -8.439 8.232 1.00 0.00 C ATOM 1024 O LEU A 65 -7.519 -8.799 7.539 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.489 -6.557 6.936 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.595 -5.502 6.989 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.738 -4.810 5.643 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.914 -6.134 7.409 1.00 0.00 C ATOM 0 H LEU A 65 -6.904 -6.330 8.109 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.649 -6.859 9.059 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.684 -6.179 6.306 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.886 -7.446 6.446 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.321 -4.753 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.530 -4.063 5.700 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.798 -4.324 5.382 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.989 -5.547 4.880 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.690 -5.369 7.442 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.194 -6.904 6.690 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.805 -6.582 8.397 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.188 -9.281 8.970 1.00 0.00 N ATOM 1041 CA PHE A 66 -8.889 -10.707 9.009 1.00 0.00 C ATOM 1042 C PHE A 66 -9.598 -11.443 7.876 1.00 0.00 C ATOM 1043 O PHE A 66 -10.771 -11.801 7.991 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.306 -11.301 10.356 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.765 -12.681 10.597 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.519 -12.859 11.177 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.502 -13.800 10.244 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.018 -14.128 11.399 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.006 -15.071 10.464 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.763 -15.236 11.043 1.00 0.00 C ATOM 0 H PHE A 66 -9.980 -9.000 9.549 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.813 -10.830 8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -8.967 -10.642 11.155 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.394 -11.332 10.409 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.933 -11.997 11.459 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.475 -13.678 9.792 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.045 -14.253 11.850 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.590 -15.935 10.183 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.374 -16.228 11.217 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.879 -11.665 6.781 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.438 -12.356 5.625 1.00 0.00 C ATOM 1062 C CYS A 67 -9.320 -13.868 5.787 1.00 0.00 C ATOM 1063 O CYS A 67 -8.282 -14.379 6.207 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.729 -11.911 4.346 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.847 -10.137 4.015 1.00 0.00 S ATOM 0 H CYS A 67 -7.907 -11.376 6.670 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.494 -12.097 5.554 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.677 -12.188 4.411 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.150 -12.456 3.501 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.838 -9.764 3.285 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.392 -14.579 5.451 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.409 -16.033 5.559 1.00 0.00 C ATOM 1073 C VAL A 68 -11.247 -16.657 4.449 1.00 0.00 C ATOM 1074 O VAL A 68 -12.314 -16.149 4.101 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.963 -16.488 6.923 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.368 -15.946 7.136 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.946 -18.006 7.025 1.00 0.00 C ATOM 0 H VAL A 68 -11.260 -14.172 5.102 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.377 -16.369 5.464 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.322 -16.087 7.708 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.743 -16.278 8.104 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.346 -14.857 7.109 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.024 -16.315 6.347 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.341 -18.310 7.995 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.563 -18.431 6.233 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.923 -18.366 6.921 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.758 -17.762 3.896 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.463 -18.457 2.825 1.00 0.00 C ATOM 1089 C HIS A 69 -11.792 -19.891 3.231 1.00 0.00 C ATOM 1090 O HIS A 69 -10.904 -20.665 3.584 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.622 -18.457 1.548 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.167 -19.344 0.471 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.468 -20.412 -0.050 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.352 -19.318 -0.182 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.198 -21.004 -0.978 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.347 -20.360 -1.077 1.00 0.00 N ATOM 0 H HIS A 69 -9.877 -18.195 4.172 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.397 -17.928 2.636 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.554 -17.438 1.168 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.608 -18.775 1.791 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.153 -18.610 -0.028 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.905 -21.867 -1.557 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -13.107 -20.598 -1.714 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.075 -20.237 3.179 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.497 -21.576 3.545 1.00 0.00 C ATOM 1107 C GLY A 70 -14.083 -22.339 2.374 1.00 0.00 C ATOM 1108 O GLY A 70 -15.300 -22.364 2.187 1.00 0.00 O ATOM 0 H GLY A 70 -13.829 -19.614 2.890 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.645 -22.126 3.943 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.238 -21.515 4.342 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.217 -22.963 1.584 1.00 0.00 N ATOM 1113 CA ASP A 71 -13.656 -23.731 0.424 1.00 0.00 C ATOM 1114 C ASP A 71 -14.665 -24.800 0.830 1.00 0.00 C ATOM 1115 O ASP A 71 -15.415 -25.308 -0.002 1.00 0.00 O ATOM 1116 CB ASP A 71 -12.456 -24.380 -0.268 1.00 0.00 C ATOM 1117 CG ASP A 71 -12.742 -24.730 -1.715 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -13.616 -25.589 -1.956 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -12.091 -24.146 -2.607 1.00 0.00 O ATOM 0 H ASP A 71 -12.207 -22.952 1.725 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.140 -23.046 -0.272 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -11.604 -23.702 -0.223 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.174 -25.284 0.272 1.00 0.00 H new ATOM 1124 N GLY A 72 -14.677 -25.138 2.116 1.00 0.00 N ATOM 1125 CA GLY A 72 -15.596 -26.146 2.610 1.00 0.00 C ATOM 1126 C GLY A 72 -15.712 -26.135 4.121 1.00 0.00 C ATOM 1127 O GLY A 72 -16.802 -25.960 4.667 1.00 0.00 O ATOM 0 H GLY A 72 -14.066 -24.731 2.824 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -16.580 -25.981 2.172 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -15.262 -27.130 2.282 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.585 -26.324 4.801 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.565 -26.336 6.259 1.00 0.00 C ATOM 1133 C HIS A 73 -13.178 -25.980 6.786 1.00 0.00 C ATOM 1134 O HIS A 73 -12.250 -25.749 6.012 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.986 -27.708 6.785 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.457 -27.827 7.037 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -17.494 -27.970 6.178 1.00 0.00 N flip ATOM 1138 CD2 HIS A 73 -17.009 -27.803 8.301 1.00 0.00 C flip ATOM 1139 CE1 HIS A 73 -18.641 -28.031 6.931 1.00 0.00 C flip ATOM 1140 NE2 HIS A 73 -18.321 -27.928 8.209 1.00 0.00 N flip ATOM 0 H HIS A 73 -13.674 -26.471 4.365 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.273 -25.587 6.613 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.686 -28.471 6.067 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -14.449 -27.913 7.711 1.00 0.00 H new ATOM 0 HD1 HIS A 73 -17.434 -28.023 5.161 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.455 -27.698 9.222 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -19.642 -28.145 6.542 1.00 0.00 H new ATOM 1149 N ALA A 74 -13.045 -25.937 8.108 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.772 -25.610 8.738 1.00 0.00 C ATOM 1151 C ALA A 74 -10.647 -26.479 8.185 1.00 0.00 C ATOM 1152 O ALA A 74 -9.474 -26.118 8.269 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.873 -25.772 10.247 1.00 0.00 C ATOM 0 H ALA A 74 -13.804 -26.125 8.763 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.538 -24.570 8.510 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.915 -25.525 10.704 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.643 -25.105 10.634 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -12.133 -26.803 10.486 1.00 0.00 H new ATOM 1159 N GLU A 75 -11.014 -27.625 7.620 1.00 0.00 N ATOM 1160 CA GLU A 75 -10.034 -28.545 7.055 1.00 0.00 C ATOM 1161 C GLU A 75 -9.300 -27.904 5.881 1.00 0.00 C ATOM 1162 O GLU A 75 -8.089 -28.063 5.731 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.717 -29.836 6.600 1.00 0.00 C ATOM 1164 CG GLU A 75 -9.793 -31.042 6.586 1.00 0.00 C ATOM 1165 CD GLU A 75 -10.205 -32.082 5.563 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -10.201 -31.762 4.356 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -10.531 -33.217 5.969 1.00 0.00 O ATOM 0 H GLU A 75 -11.982 -27.938 7.541 1.00 0.00 H new ATOM 0 HA GLU A 75 -9.306 -28.782 7.831 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.560 -30.043 7.259 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -11.123 -29.689 5.599 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -8.776 -30.713 6.374 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -9.781 -31.497 7.576 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.043 -27.180 5.050 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.463 -26.516 3.888 1.00 0.00 C ATOM 1176 C ASN A 76 -9.610 -25.001 3.998 1.00 0.00 C ATOM 1177 O ASN A 76 -9.544 -24.286 2.997 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.132 -27.013 2.604 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.645 -27.002 2.700 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.281 -25.958 2.553 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.230 -28.169 2.947 1.00 0.00 N ATOM 0 H ASN A 76 -11.047 -27.038 5.159 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.401 -26.759 3.854 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.819 -26.387 1.768 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -9.792 -28.026 2.388 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -13.246 -28.225 3.022 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.663 -29.009 3.062 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.808 -24.519 5.220 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.963 -23.089 5.462 1.00 0.00 C ATOM 1190 C LEU A 77 -8.607 -22.392 5.495 1.00 0.00 C ATOM 1191 O LEU A 77 -7.642 -22.915 6.054 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.704 -22.852 6.779 1.00 0.00 C ATOM 1193 CG LEU A 77 -11.088 -21.403 7.082 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.436 -21.068 6.465 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -11.112 -21.161 8.584 1.00 0.00 C ATOM 0 H LEU A 77 -9.865 -25.097 6.058 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.547 -22.668 4.643 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.612 -23.454 6.775 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -10.081 -23.220 7.594 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.337 -20.748 6.640 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.693 -20.033 6.691 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.385 -21.201 5.384 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.199 -21.729 6.876 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.387 -20.125 8.781 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.842 -21.825 9.048 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.124 -21.360 9.000 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.541 -21.208 4.896 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.304 -20.437 4.860 1.00 0.00 C ATOM 1209 C VAL A 78 -7.482 -19.080 5.531 1.00 0.00 C ATOM 1210 O VAL A 78 -8.327 -18.282 5.125 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.818 -20.222 3.414 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.782 -19.110 3.358 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.255 -21.515 2.844 1.00 0.00 C ATOM 0 H VAL A 78 -9.330 -20.761 4.429 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.557 -21.013 5.405 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.670 -19.923 2.804 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -5.451 -18.973 2.329 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -6.223 -18.183 3.724 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.928 -19.376 3.981 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.916 -21.345 1.822 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.415 -21.846 3.454 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.030 -22.282 2.847 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.680 -18.825 6.560 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.750 -17.564 7.288 1.00 0.00 C ATOM 1225 C GLN A 79 -5.515 -16.710 7.018 1.00 0.00 C ATOM 1226 O GLN A 79 -4.384 -17.179 7.148 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.886 -17.824 8.789 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.128 -18.620 9.159 1.00 0.00 C ATOM 1229 CD GLN A 79 -8.013 -19.284 10.517 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -8.614 -20.460 10.654 1.00 0.00 O flip ATOM 1231 NE2 GLN A 79 -7.391 -18.745 11.433 1.00 0.00 N flip ATOM 0 H GLN A 79 -5.975 -19.475 6.908 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.628 -17.021 6.939 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -6.004 -18.360 9.138 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.907 -16.869 9.314 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.994 -17.958 9.155 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.306 -19.382 8.400 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -6.944 -17.840 11.283 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.322 -19.203 12.342 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.740 -15.457 6.642 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.645 -14.538 6.353 1.00 0.00 C ATOM 1242 C TRP A 80 -5.044 -13.100 6.666 1.00 0.00 C ATOM 1243 O TRP A 80 -6.122 -12.649 6.282 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.225 -14.656 4.887 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.141 -13.932 3.947 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.011 -12.647 3.503 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.327 -14.452 3.337 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.046 -12.336 2.654 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.866 -13.426 2.535 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.986 -15.683 3.388 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.032 -13.597 1.793 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.143 -15.851 2.651 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.656 -14.813 1.862 1.00 0.00 C ATOM 0 H TRP A 80 -6.670 -15.054 6.530 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.801 -14.808 6.988 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.215 -14.263 4.773 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.190 -15.710 4.610 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.212 -11.974 3.779 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.181 -11.439 2.188 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.598 -16.489 3.993 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.430 -12.798 1.185 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.660 -16.798 2.684 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.562 -14.976 1.297 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.167 -12.385 7.364 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.430 -10.998 7.728 1.00 0.00 C ATOM 1266 C GLU A 81 -3.956 -10.048 6.631 1.00 0.00 C ATOM 1267 O GLU A 81 -3.062 -10.380 5.853 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.739 -10.654 9.049 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.598 -10.922 10.273 1.00 0.00 C ATOM 1270 CD GLU A 81 -3.884 -10.596 11.570 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -2.637 -10.520 11.557 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.570 -10.418 12.598 1.00 0.00 O ATOM 0 H GLU A 81 -3.269 -12.743 7.688 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.507 -10.879 7.848 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.818 -11.231 9.129 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.456 -9.602 9.038 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.512 -10.331 10.207 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.896 -11.970 10.280 1.00 0.00 H new ATOM 1279 N MET A 82 -4.562 -8.867 6.577 1.00 0.00 N ATOM 1280 CA MET A 82 -4.202 -7.869 5.576 1.00 0.00 C ATOM 1281 C MET A 82 -4.197 -6.469 6.182 1.00 0.00 C ATOM 1282 O MET A 82 -5.224 -5.986 6.658 1.00 0.00 O ATOM 1283 CB MET A 82 -5.175 -7.924 4.397 1.00 0.00 C ATOM 1284 CG MET A 82 -4.824 -8.985 3.368 1.00 0.00 C ATOM 1285 SD MET A 82 -5.933 -8.969 1.946 1.00 0.00 S ATOM 1286 CE MET A 82 -5.460 -7.427 1.166 1.00 0.00 C ATOM 0 H MET A 82 -5.304 -8.577 7.214 1.00 0.00 H new ATOM 0 HA MET A 82 -3.197 -8.095 5.219 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.180 -8.114 4.774 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.197 -6.950 3.909 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.800 -8.830 3.027 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.858 -9.967 3.839 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.298 -6.730 1.199 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.609 -6.997 1.695 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.185 -7.614 0.128 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.035 -5.824 6.161 1.00 0.00 N ATOM 1297 CA GLU A 83 -2.899 -4.479 6.709 1.00 0.00 C ATOM 1298 C GLU A 83 -2.437 -3.498 5.636 1.00 0.00 C ATOM 1299 O GLU A 83 -1.716 -3.868 4.709 1.00 0.00 O ATOM 1300 CB GLU A 83 -1.908 -4.479 7.876 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.906 -3.185 8.672 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.839 -3.164 9.749 1.00 0.00 C ATOM 1303 OE1 GLU A 83 -1.095 -3.699 10.848 1.00 0.00 O ATOM 1304 OE2 GLU A 83 0.252 -2.613 9.493 1.00 0.00 O ATOM 0 H GLU A 83 -2.175 -6.210 5.771 1.00 0.00 H new ATOM 0 HA GLU A 83 -3.877 -4.161 7.071 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.146 -5.306 8.544 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -0.905 -4.660 7.490 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.749 -2.346 7.994 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.884 -3.044 9.132 1.00 0.00 H new ATOM 1311 N VAL A 84 -2.859 -2.244 5.768 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.489 -1.208 4.811 1.00 0.00 C ATOM 1313 C VAL A 84 -1.302 -0.394 5.313 1.00 0.00 C ATOM 1314 O VAL A 84 -1.461 0.519 6.124 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.668 -0.258 4.530 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.235 0.871 3.607 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -4.840 -1.024 3.935 1.00 0.00 C ATOM 0 H VAL A 84 -3.457 -1.921 6.528 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.212 -1.715 3.887 1.00 0.00 H new ATOM 0 HB VAL A 84 -3.992 0.180 5.474 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.081 1.532 3.419 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.430 1.436 4.076 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.884 0.455 2.663 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.664 -0.337 3.743 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.532 -1.492 3.000 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.165 -1.793 4.635 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.113 -0.730 4.826 1.00 0.00 N ATOM 1328 CA CYS A 85 1.103 -0.030 5.225 1.00 0.00 C ATOM 1329 C CYS A 85 1.572 0.915 4.124 1.00 0.00 C ATOM 1330 O CYS A 85 1.178 0.782 2.966 1.00 0.00 O ATOM 1331 CB CYS A 85 2.208 -1.033 5.558 1.00 0.00 C ATOM 1332 SG CYS A 85 3.562 -0.342 6.536 1.00 0.00 S ATOM 0 H CYS A 85 0.035 -1.483 4.154 1.00 0.00 H new ATOM 0 HA CYS A 85 0.878 0.560 6.114 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.772 -1.871 6.102 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.613 -1.433 4.628 1.00 0.00 H new ATOM 0 HG CYS A 85 4.445 -1.267 6.768 1.00 0.00 H new ATOM 1466 N ASN A 93 0.215 2.769 -1.479 1.00 0.00 N ATOM 1467 CA ASN A 93 -0.247 1.888 -0.413 1.00 0.00 C ATOM 1468 C ASN A 93 0.532 0.576 -0.416 1.00 0.00 C ATOM 1469 O ASN A 93 1.062 0.159 -1.445 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.742 1.606 -0.568 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.596 2.816 -0.241 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -3.499 3.175 -0.996 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -2.311 3.453 0.890 1.00 0.00 N ATOM 0 HA ASN A 93 -0.076 2.390 0.539 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.945 1.287 -1.591 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.023 0.780 0.085 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.850 4.275 1.162 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -1.553 3.120 1.486 1.00 0.00 H new ATOM 1480 N GLY A 94 0.597 -0.071 0.744 1.00 0.00 N ATOM 1481 CA GLY A 94 1.312 -1.329 0.853 1.00 0.00 C ATOM 1482 C GLY A 94 0.469 -2.423 1.477 1.00 0.00 C ATOM 1483 O GLY A 94 0.287 -2.460 2.694 1.00 0.00 O ATOM 0 H GLY A 94 0.167 0.254 1.610 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.637 -1.646 -0.138 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.211 -1.182 1.451 1.00 0.00 H new ATOM 1487 N VAL A 95 -0.050 -3.317 0.641 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.880 -4.417 1.117 1.00 0.00 C ATOM 1489 C VAL A 95 -0.050 -5.677 1.335 1.00 0.00 C ATOM 1490 O VAL A 95 0.445 -6.280 0.382 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.018 -4.731 0.127 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -3.109 -5.544 0.808 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.585 -3.446 -0.456 1.00 0.00 C ATOM 0 H VAL A 95 0.090 -3.301 -0.369 1.00 0.00 H new ATOM 0 HA VAL A 95 -1.311 -4.100 2.067 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.612 -5.326 -0.691 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.904 -5.756 0.093 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.690 -6.481 1.173 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.516 -4.977 1.646 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.388 -3.686 -1.153 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.977 -2.823 0.348 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.797 -2.906 -0.982 1.00 0.00 H new ATOM 1503 N ARG A 96 0.099 -6.070 2.596 1.00 0.00 N ATOM 1504 CA ARG A 96 0.870 -7.259 2.940 1.00 0.00 C ATOM 1505 C ARG A 96 -0.050 -8.401 3.362 1.00 0.00 C ATOM 1506 O ARG A 96 -1.014 -8.195 4.099 1.00 0.00 O ATOM 1507 CB ARG A 96 1.858 -6.943 4.065 1.00 0.00 C ATOM 1508 CG ARG A 96 2.864 -8.054 4.321 1.00 0.00 C ATOM 1509 CD ARG A 96 4.120 -7.523 4.994 1.00 0.00 C ATOM 1510 NE ARG A 96 4.822 -6.554 4.158 1.00 0.00 N ATOM 1511 CZ ARG A 96 6.035 -6.088 4.433 1.00 0.00 C ATOM 1512 NH1 ARG A 96 6.677 -6.500 5.517 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.608 -5.207 3.622 1.00 0.00 N ATOM 0 H ARG A 96 -0.304 -5.582 3.396 1.00 0.00 H new ATOM 0 HA ARG A 96 1.424 -7.571 2.055 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.395 -6.027 3.819 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.302 -6.749 4.982 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.410 -8.820 4.949 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.129 -8.531 3.377 1.00 0.00 H new ATOM 0 HD2 ARG A 96 3.853 -7.057 5.943 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.787 -8.354 5.223 1.00 0.00 H new ATOM 0 HE ARG A 96 4.355 -6.216 3.316 1.00 0.00 H new ATOM 0 HH11 ARG A 96 6.240 -7.177 6.142 1.00 0.00 H new ATOM 0 HH12 ARG A 96 7.608 -6.140 5.726 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.117 -4.888 2.787 1.00 0.00 H new ATOM 0 HH22 ARG A 96 7.540 -4.849 3.834 1.00 0.00 H new ATOM 1527 N PHE A 97 0.254 -9.604 2.888 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.546 -10.779 3.215 1.00 0.00 C ATOM 1529 C PHE A 97 0.182 -11.672 4.215 1.00 0.00 C ATOM 1530 O PHE A 97 1.244 -12.220 3.919 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.867 -11.572 1.946 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.889 -10.908 1.068 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.699 -9.611 0.619 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -3.040 -11.582 0.692 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.638 -8.998 -0.190 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.982 -10.974 -0.117 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.781 -9.680 -0.557 1.00 0.00 C ATOM 0 H PHE A 97 1.048 -9.791 2.276 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.477 -10.439 3.669 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.051 -11.718 1.376 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.228 -12.561 2.227 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.807 -9.073 0.904 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.203 -12.593 1.035 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.478 -7.987 -0.534 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.874 -11.510 -0.405 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.517 -9.203 -1.187 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.396 -11.814 5.403 1.00 0.00 N ATOM 1548 CA LYS A 98 0.195 -12.641 6.449 1.00 0.00 C ATOM 1549 C LYS A 98 -0.609 -13.921 6.650 1.00 0.00 C ATOM 1550 O LYS A 98 -1.829 -13.881 6.810 1.00 0.00 O ATOM 1551 CB LYS A 98 0.268 -11.860 7.763 1.00 0.00 C ATOM 1552 CG LYS A 98 0.360 -12.747 8.993 1.00 0.00 C ATOM 1553 CD LYS A 98 0.204 -11.944 10.273 1.00 0.00 C ATOM 1554 CE LYS A 98 0.205 -12.844 11.499 1.00 0.00 C ATOM 1555 NZ LYS A 98 0.063 -12.063 12.760 1.00 0.00 N ATOM 0 H LYS A 98 -1.274 -11.367 5.666 1.00 0.00 H new ATOM 0 HA LYS A 98 1.204 -12.912 6.137 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.135 -11.200 7.736 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.614 -11.225 7.848 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -0.413 -13.515 8.948 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.321 -13.262 9.000 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.015 -11.220 10.351 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -0.726 -11.377 10.237 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.611 -13.563 11.423 1.00 0.00 H new ATOM 0 HE3 LYS A 98 1.132 -13.417 11.529 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -0.068 -12.715 13.559 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.920 -11.494 12.914 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -0.762 -11.434 12.688 1.00 0.00 H new ATOM 1569 N ARG A 99 0.082 -15.056 6.641 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.568 -16.348 6.823 1.00 0.00 C ATOM 1571 C ARG A 99 -0.912 -16.582 8.291 1.00 0.00 C ATOM 1572 O ARG A 99 -0.136 -16.237 9.183 1.00 0.00 O ATOM 1573 CB ARG A 99 0.335 -17.473 6.314 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.399 -18.783 6.077 1.00 0.00 C ATOM 1575 CD ARG A 99 -0.879 -18.899 4.639 1.00 0.00 C ATOM 1576 NE ARG A 99 -2.207 -19.503 4.553 1.00 0.00 N ATOM 1577 CZ ARG A 99 -2.413 -20.810 4.440 1.00 0.00 C ATOM 1578 NH1 ARG A 99 -1.385 -21.646 4.401 1.00 0.00 N ATOM 1579 NH2 ARG A 99 -3.651 -21.283 4.367 1.00 0.00 N ATOM 0 H ARG A 99 1.092 -15.107 6.510 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.493 -16.345 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.806 -17.157 5.383 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.135 -17.640 7.035 1.00 0.00 H new ATOM 0 HG2 ARG A 99 0.261 -19.619 6.310 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.251 -18.852 6.753 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.900 -17.909 4.183 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.170 -19.498 4.067 1.00 0.00 H new ATOM 0 HE ARG A 99 -3.020 -18.887 4.581 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.432 -21.286 4.458 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -1.547 -22.649 4.314 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -4.444 -20.643 4.398 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -3.809 -22.287 4.280 1.00 0.00 H new ATOM 1593 N ILE A 100 -2.079 -17.169 8.533 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.525 -17.449 9.893 1.00 0.00 C ATOM 1595 C ILE A 100 -2.753 -18.942 10.100 1.00 0.00 C ATOM 1596 O ILE A 100 -2.422 -19.491 11.150 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.824 -16.691 10.226 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.517 -15.228 10.554 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.544 -17.360 11.388 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.582 -14.313 9.351 1.00 0.00 C ATOM 0 H ILE A 100 -2.733 -17.460 7.806 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.734 -17.109 10.561 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.477 -16.719 9.354 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -4.223 -14.877 11.306 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.523 -15.164 10.996 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -5.460 -16.813 11.612 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.791 -18.387 11.120 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.897 -17.359 12.266 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.354 -13.292 9.658 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -2.856 -14.639 8.606 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.583 -14.347 8.921 1.00 0.00 H new ATOM 1612 N SER A 101 -3.320 -19.594 9.090 1.00 0.00 N ATOM 1613 CA SER A 101 -3.595 -21.025 9.161 1.00 0.00 C ATOM 1614 C SER A 101 -4.111 -21.546 7.824 1.00 0.00 C ATOM 1615 O SER A 101 -4.633 -20.787 7.008 1.00 0.00 O ATOM 1616 CB SER A 101 -4.616 -21.315 10.263 1.00 0.00 C ATOM 1617 OG SER A 101 -5.808 -20.576 10.062 1.00 0.00 O ATOM 0 H SER A 101 -3.598 -19.154 8.213 1.00 0.00 H new ATOM 0 HA SER A 101 -2.662 -21.538 9.395 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.844 -22.381 10.280 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.189 -21.065 11.234 1.00 0.00 H new ATOM 0 HG SER A 101 -6.458 -21.129 9.580 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.962 -22.849 7.606 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.418 -23.452 6.367 1.00 0.00 C ATOM 1625 C GLY A 102 -3.280 -24.037 5.554 1.00 0.00 C ATOM 1626 O GLY A 102 -2.169 -24.208 6.059 1.00 0.00 O ATOM 0 H GLY A 102 -3.533 -23.498 8.266 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.140 -24.237 6.593 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.938 -22.702 5.771 1.00 0.00 H new ATOM 1630 N THR A 103 -3.555 -24.348 4.291 1.00 0.00 N ATOM 1631 CA THR A 103 -2.547 -24.920 3.408 1.00 0.00 C ATOM 1632 C THR A 103 -1.960 -23.860 2.484 1.00 0.00 C ATOM 1633 O THR A 103 -2.688 -23.183 1.758 1.00 0.00 O ATOM 1634 CB THR A 103 -3.132 -26.062 2.554 1.00 0.00 C ATOM 1635 OG1 THR A 103 -4.309 -25.611 1.874 1.00 0.00 O ATOM 1636 CG2 THR A 103 -3.470 -27.266 3.420 1.00 0.00 C ATOM 0 H THR A 103 -4.468 -24.213 3.857 1.00 0.00 H new ATOM 0 HA THR A 103 -1.758 -25.319 4.045 1.00 0.00 H new ATOM 0 HB THR A 103 -2.382 -26.360 1.822 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.254 -24.643 1.732 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.881 -28.059 2.796 1.00 0.00 H new ATOM 0 HG22 THR A 103 -2.567 -27.624 3.914 1.00 0.00 H new ATOM 0 HG23 THR A 103 -4.205 -26.978 4.172 1.00 0.00 H new ATOM 1644 N SER A 104 -0.638 -23.720 2.516 1.00 0.00 N ATOM 1645 CA SER A 104 0.047 -22.739 1.683 1.00 0.00 C ATOM 1646 C SER A 104 -0.542 -22.715 0.276 1.00 0.00 C ATOM 1647 O SER A 104 -0.970 -21.668 -0.212 1.00 0.00 O ATOM 1648 CB SER A 104 1.543 -23.052 1.616 1.00 0.00 C ATOM 1649 OG SER A 104 1.783 -24.437 1.790 1.00 0.00 O ATOM 0 H SER A 104 -0.021 -24.274 3.110 1.00 0.00 H new ATOM 0 HA SER A 104 -0.092 -21.756 2.133 1.00 0.00 H new ATOM 0 HB2 SER A 104 1.943 -22.729 0.655 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.070 -22.489 2.386 1.00 0.00 H new ATOM 0 HG SER A 104 2.746 -24.611 1.741 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.560 -23.875 -0.371 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.098 -23.988 -1.722 1.00 0.00 C ATOM 1657 C ILE A 105 -2.321 -23.097 -1.903 1.00 0.00 C ATOM 1658 O ILE A 105 -2.351 -22.237 -2.783 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.482 -25.442 -2.055 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.225 -26.291 -2.258 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.363 -25.486 -3.294 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.794 -25.652 -3.175 1.00 0.00 C ATOM 0 H ILE A 105 -0.209 -24.750 0.018 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.311 -23.663 -2.403 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.045 -25.855 -1.218 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.237 -26.479 -1.289 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.513 -27.260 -2.667 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.626 -26.520 -3.517 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.271 -24.911 -3.115 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.824 -25.059 -4.139 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.658 -26.309 -3.273 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.349 -25.489 -4.157 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.111 -24.696 -2.757 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.329 -23.307 -1.062 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.554 -22.520 -1.127 1.00 0.00 C ATOM 1676 C ALA A 106 -4.262 -21.034 -0.948 1.00 0.00 C ATOM 1677 O ALA A 106 -4.868 -20.188 -1.606 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.544 -22.996 -0.074 1.00 0.00 C ATOM 0 H ALA A 106 -3.321 -24.015 -0.328 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.995 -22.661 -2.114 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.454 -22.399 -0.134 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.785 -24.044 -0.249 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.103 -22.886 0.917 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.331 -20.722 -0.052 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.960 -19.338 0.215 1.00 0.00 C ATOM 1686 C PHE A 107 -2.455 -18.655 -1.053 1.00 0.00 C ATOM 1687 O PHE A 107 -2.945 -17.594 -1.438 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.886 -19.276 1.303 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.382 -17.887 1.570 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.083 -17.028 2.400 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.206 -17.439 0.989 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.622 -15.749 2.648 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.261 -16.162 1.233 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.448 -15.315 2.063 1.00 0.00 C ATOM 0 H PHE A 107 -2.820 -21.410 0.501 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.849 -18.811 0.561 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.291 -19.690 2.226 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -1.047 -19.908 1.011 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -3.002 -17.362 2.859 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.352 -18.096 0.338 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.178 -15.090 3.298 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.180 -15.826 0.775 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.085 -14.316 2.254 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.471 -19.273 -1.697 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.898 -18.728 -2.922 1.00 0.00 C ATOM 1706 C LYS A 108 -1.912 -18.764 -4.061 1.00 0.00 C ATOM 1707 O LYS A 108 -2.083 -17.785 -4.785 1.00 0.00 O ATOM 1708 CB LYS A 108 0.356 -19.512 -3.317 1.00 0.00 C ATOM 1709 CG LYS A 108 1.625 -19.002 -2.656 1.00 0.00 C ATOM 1710 CD LYS A 108 1.873 -19.687 -1.322 1.00 0.00 C ATOM 1711 CE LYS A 108 2.737 -20.928 -1.485 1.00 0.00 C ATOM 1712 NZ LYS A 108 3.450 -21.276 -0.225 1.00 0.00 N ATOM 0 H LYS A 108 -1.054 -20.152 -1.391 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.626 -17.689 -2.734 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.216 -20.561 -3.055 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.477 -19.467 -4.399 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.475 -19.173 -3.317 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.550 -17.925 -2.505 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.360 -18.991 -0.639 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.920 -19.963 -0.871 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.113 -21.767 -1.793 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.464 -20.763 -2.280 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 3.610 -22.303 -0.189 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.365 -20.782 -0.196 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 2.874 -20.987 0.591 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.584 -19.901 -4.212 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.583 -20.065 -5.262 1.00 0.00 C ATOM 1728 C ASN A 109 -4.647 -18.974 -5.176 1.00 0.00 C ATOM 1729 O ASN A 109 -4.964 -18.322 -6.172 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.240 -21.443 -5.160 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.464 -22.510 -5.906 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -2.765 -23.362 -5.164 1.00 0.00 O flip ATOM 1733 ND2 ASN A 109 -3.493 -22.569 -7.136 1.00 0.00 N flip ATOM 0 H ASN A 109 -2.455 -20.722 -3.621 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.079 -19.981 -6.225 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.324 -21.726 -4.111 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.253 -21.390 -5.558 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -4.044 -21.894 -7.666 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.966 -23.293 -7.624 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.193 -18.781 -3.980 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.219 -17.769 -3.764 1.00 0.00 C ATOM 1742 C ILE A 110 -5.609 -16.373 -3.703 1.00 0.00 C ATOM 1743 O ILE A 110 -6.289 -15.376 -3.946 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.004 -18.032 -2.465 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.268 -17.170 -2.425 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.129 -17.756 -1.252 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.322 -17.595 -3.423 1.00 0.00 C ATOM 0 H ILE A 110 -4.942 -19.312 -3.146 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.904 -17.827 -4.610 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.301 -19.081 -2.443 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.693 -17.209 -1.422 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.996 -16.132 -2.616 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.698 -17.946 -0.342 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.256 -18.408 -1.277 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.805 -16.715 -1.266 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.189 -16.940 -3.338 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.915 -17.529 -4.432 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.623 -18.623 -3.219 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.322 -16.309 -3.378 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.619 -15.035 -3.288 1.00 0.00 C ATOM 1761 C ALA A 111 -3.503 -14.375 -4.658 1.00 0.00 C ATOM 1762 O ALA A 111 -3.323 -13.162 -4.760 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.240 -15.235 -2.677 1.00 0.00 C ATOM 0 H ALA A 111 -3.745 -17.125 -3.173 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.197 -14.373 -2.643 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.726 -14.275 -2.616 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.343 -15.656 -1.677 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.661 -15.917 -3.300 1.00 0.00 H new ATOM 1769 N SER A 112 -3.604 -15.182 -5.709 1.00 0.00 N ATOM 1770 CA SER A 112 -3.505 -14.677 -7.073 1.00 0.00 C ATOM 1771 C SER A 112 -4.806 -14.003 -7.499 1.00 0.00 C ATOM 1772 O SER A 112 -4.796 -12.919 -8.082 1.00 0.00 O ATOM 1773 CB SER A 112 -3.168 -15.815 -8.038 1.00 0.00 C ATOM 1774 OG SER A 112 -2.747 -15.311 -9.294 1.00 0.00 O ATOM 0 H SER A 112 -3.754 -16.189 -5.642 1.00 0.00 H new ATOM 0 HA SER A 112 -2.706 -13.937 -7.102 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.382 -16.438 -7.611 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.042 -16.452 -8.173 1.00 0.00 H new ATOM 0 HG SER A 112 -2.536 -16.058 -9.892 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.927 -14.654 -7.203 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.237 -14.119 -7.552 1.00 0.00 C ATOM 1782 C LYS A 113 -7.442 -12.737 -6.941 1.00 0.00 C ATOM 1783 O LYS A 113 -7.718 -11.769 -7.650 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.341 -15.067 -7.076 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.649 -16.183 -8.059 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.766 -17.397 -7.819 1.00 0.00 C ATOM 1787 CE LYS A 113 -7.996 -18.470 -8.873 1.00 0.00 C ATOM 1788 NZ LYS A 113 -7.742 -19.836 -8.337 1.00 0.00 N ATOM 0 H LYS A 113 -5.953 -15.553 -6.722 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.286 -14.028 -8.637 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.046 -15.505 -6.122 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.249 -14.492 -6.895 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.697 -16.470 -7.968 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.504 -15.822 -9.077 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.719 -17.094 -7.829 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.970 -17.807 -6.830 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -9.021 -18.408 -9.237 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -7.343 -18.287 -9.726 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.909 -20.539 -9.085 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.756 -19.904 -8.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -8.383 -20.020 -7.539 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.303 -12.651 -5.622 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.470 -11.387 -4.917 1.00 0.00 C ATOM 1804 C ILE A 114 -6.718 -10.262 -5.620 1.00 0.00 C ATOM 1805 O ILE A 114 -7.312 -9.263 -6.026 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.980 -11.485 -3.460 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.706 -12.617 -2.730 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.190 -10.162 -2.740 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.192 -12.382 -2.578 1.00 0.00 C ATOM 0 H ILE A 114 -7.075 -13.442 -5.020 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.537 -11.164 -4.918 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.913 -11.707 -3.465 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.547 -13.549 -3.273 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.263 -12.744 -1.742 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.839 -10.248 -1.712 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.631 -9.377 -3.250 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.251 -9.911 -2.741 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.642 -13.224 -2.052 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.359 -11.467 -2.009 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.648 -12.285 -3.563 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.408 -10.432 -5.762 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.574 -9.433 -6.420 1.00 0.00 C ATOM 1823 C ALA A 115 -5.154 -9.041 -7.775 1.00 0.00 C ATOM 1824 O ALA A 115 -5.278 -7.858 -8.088 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.154 -9.955 -6.582 1.00 0.00 C ATOM 0 H ALA A 115 -4.901 -11.252 -5.430 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.552 -8.542 -5.792 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.542 -9.199 -7.075 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.734 -10.179 -5.601 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.166 -10.862 -7.186 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.507 -10.042 -8.575 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.072 -9.800 -9.897 1.00 0.00 C ATOM 1833 C ASN A 116 -7.316 -8.921 -9.805 1.00 0.00 C ATOM 1834 O ASN A 116 -7.436 -7.922 -10.513 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.420 -11.126 -10.576 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.233 -11.737 -11.295 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.822 -11.260 -12.353 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.676 -12.797 -10.722 1.00 0.00 N ATOM 0 H ASN A 116 -5.412 -11.028 -8.331 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.324 -9.279 -10.494 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.789 -11.828 -9.828 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.229 -10.965 -11.288 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.874 -13.250 -11.159 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.050 -13.158 -9.845 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.239 -9.302 -8.926 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.473 -8.548 -8.742 1.00 0.00 C ATOM 1847 C GLU A 117 -9.177 -7.123 -8.282 1.00 0.00 C ATOM 1848 O GLU A 117 -9.773 -6.164 -8.775 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.376 -9.247 -7.723 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.696 -10.688 -8.082 1.00 0.00 C ATOM 1851 CD GLU A 117 -12.057 -11.127 -7.575 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -12.934 -10.256 -7.399 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -12.244 -12.342 -7.355 1.00 0.00 O ATOM 0 H GLU A 117 -8.155 -10.127 -8.332 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.987 -8.502 -9.702 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.893 -9.223 -6.746 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.308 -8.688 -7.632 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -10.661 -10.805 -9.165 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -9.929 -11.341 -7.666 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.255 -6.993 -7.335 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.879 -5.686 -6.808 1.00 0.00 C ATOM 1862 C LEU A 118 -7.022 -4.920 -7.810 1.00 0.00 C ATOM 1863 O LEU A 118 -6.542 -3.823 -7.523 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.122 -5.845 -5.488 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.984 -6.008 -4.235 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.202 -6.714 -3.138 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.483 -4.655 -3.751 1.00 0.00 C ATOM 0 H LEU A 118 -7.754 -7.777 -6.916 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.792 -5.117 -6.630 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.468 -6.713 -5.570 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.481 -4.974 -5.353 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.849 -6.621 -4.489 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.831 -6.821 -2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.895 -7.700 -3.487 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.319 -6.127 -2.886 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.094 -4.791 -2.859 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.632 -4.017 -3.514 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.081 -4.187 -4.533 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.835 -5.504 -8.989 1.00 0.00 N ATOM 1880 CA LYS A 119 -6.038 -4.877 -10.036 1.00 0.00 C ATOM 1881 C LYS A 119 -4.630 -4.566 -9.538 1.00 0.00 C ATOM 1882 O LYS A 119 -3.998 -3.611 -9.989 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.715 -3.591 -10.519 1.00 0.00 C ATOM 1884 CG LYS A 119 -8.045 -3.828 -11.213 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.852 -4.240 -12.662 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.514 -3.046 -13.541 1.00 0.00 C ATOM 1887 NZ LYS A 119 -8.717 -2.220 -13.841 1.00 0.00 N ATOM 0 H LYS A 119 -7.225 -6.412 -9.243 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.963 -5.577 -10.868 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.872 -2.931 -9.666 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -6.044 -3.072 -11.204 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.599 -4.603 -10.684 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.646 -2.920 -11.169 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -7.054 -4.979 -12.728 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -8.760 -4.718 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.765 -2.430 -13.044 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.071 -3.395 -14.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.466 -1.476 -14.523 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.461 -2.824 -14.246 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.065 -1.782 -12.964 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.145 -5.380 -8.606 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.811 -5.193 -8.047 1.00 0.00 C ATOM 1903 C LEU A 120 -1.749 -5.808 -8.954 1.00 0.00 C ATOM 1904 O LEU A 120 -2.067 -6.555 -9.880 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.729 -5.815 -6.652 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.874 -5.475 -5.698 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.763 -6.290 -4.419 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.882 -3.986 -5.384 1.00 0.00 C ATOM 0 H LEU A 120 -4.656 -6.175 -8.222 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.622 -4.122 -7.972 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.683 -6.899 -6.761 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.793 -5.501 -6.190 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.815 -5.729 -6.186 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.586 -6.034 -3.752 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.807 -7.352 -4.659 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.816 -6.068 -3.927 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.704 -3.762 -4.704 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.938 -3.708 -4.916 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -4.011 -3.420 -6.307 1.00 0.00 H new ATOM 1920 N SER A 121 -0.488 -5.492 -8.679 1.00 0.00 N ATOM 1921 CA SER A 121 0.620 -6.012 -9.471 1.00 0.00 C ATOM 1922 C SER A 121 0.351 -7.451 -9.903 1.00 0.00 C ATOM 1923 O SER A 121 0.371 -7.768 -11.091 1.00 0.00 O ATOM 1924 CB SER A 121 1.923 -5.943 -8.671 1.00 0.00 C ATOM 1925 OG SER A 121 2.580 -4.704 -8.873 1.00 0.00 O ATOM 0 H SER A 121 -0.208 -4.878 -7.914 1.00 0.00 H new ATOM 0 HA SER A 121 0.717 -5.395 -10.364 1.00 0.00 H new ATOM 0 HB2 SER A 121 1.710 -6.077 -7.610 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.580 -6.760 -8.969 1.00 0.00 H new ATOM 0 HG SER A 121 3.409 -4.684 -8.350 1.00 0.00 H new ATOM 1931 N GLY A 122 0.099 -8.318 -8.927 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.170 -9.712 -9.225 1.00 0.00 C ATOM 1933 C GLY A 122 1.085 -10.480 -9.590 1.00 0.00 C ATOM 1934 O GLY A 122 1.330 -10.793 -10.755 1.00 0.00 O ATOM 0 H GLY A 122 0.076 -8.080 -7.936 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.641 -10.181 -8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.882 -9.773 -10.048 1.00 0.00 H new ATOM 1938 N PRO A 123 1.906 -10.794 -8.577 1.00 0.00 N ATOM 1939 CA PRO A 123 3.157 -11.533 -8.773 1.00 0.00 C ATOM 1940 C PRO A 123 2.917 -12.989 -9.159 1.00 0.00 C ATOM 1941 O PRO A 123 2.271 -13.736 -8.425 1.00 0.00 O ATOM 1942 CB PRO A 123 3.838 -11.448 -7.405 1.00 0.00 C ATOM 1943 CG PRO A 123 2.721 -11.257 -6.438 1.00 0.00 C ATOM 1944 CD PRO A 123 1.677 -10.453 -7.163 1.00 0.00 C ATOM 0 HA PRO A 123 3.751 -11.118 -9.587 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.401 -12.355 -7.186 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.543 -10.618 -7.365 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.318 -12.216 -6.113 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.064 -10.736 -5.544 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.670 -10.720 -6.843 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.796 -9.385 -6.983 1.00 0.00 H new