USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=19 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 55 CYS SG : rot 45:sc= 1.07 USER MOD Set 1.2: A 69 HIS : no HD1:sc= -0.331 X(o=0.73,f=1.1) USER MOD Set 2.1: A 43 MET CE :methyl 162:sc= -5.8! (180deg=-6.79!) USER MOD Set 2.2: A 59 GLN : amide:sc= -0.233 K(o=-6,f=-8.7!) USER MOD Set 3.1: A 29 ASN : amide:sc= -4.94! C(o=-4.9!,f=-6.3!) USER MOD Set 3.2: A 31 TYR OH : rot 141:sc= 0.0341 USER MOD Single : A 33 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 180:sc= 0.00352 USER MOD Single : A 42 MET CE :methyl -168:sc= -0.103 (180deg=-0.409) USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) 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 67 CYS SG : rot 167:sc= 0.0707 USER MOD Single : A 73 HIS : no HD1:sc= -1.1 K(o=-1.1,f=-0.29) USER MOD Single : A 76 ASN : amide:sc= -0.0113 X(o=-0.011,f=0) USER MOD Single : A 79 GLN : amide:sc= -2.92 X(o=-2.9,f=-2.8!) USER MOD Single : A 82 MET CE :methyl -110:sc= -2.38 (180deg=-3.64) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -3.16! C(o=-3.2!,f=-4.8!) USER MOD Single : A 98 LYS NZ :NH3+ -158:sc= -0.451 (180deg=-0.897) USER MOD Single : A 101 SER OG : rot 17:sc= 0.464 USER MOD Single : A 103 THR OG1 : rot 31:sc= 0.0346 USER MOD Single : A 104 SER OG : rot 180:sc= 0 USER MOD Single : A 108 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 ASN : amide:sc= -4.09! K(o=-4.1!,f=-1.5) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 163:sc= -0.0108 (180deg=-0.165) USER MOD Single : A 116 ASN : amide:sc= -0.411 X(o=-0.41,f=-0.35) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot -167:sc= -2.65! USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.732 -14.915 2.753 1.00 0.00 N ATOM 458 CA ASN A 29 5.199 -13.558 2.723 1.00 0.00 C ATOM 459 C ASN A 29 5.005 -13.081 1.287 1.00 0.00 C ATOM 460 O ASN A 29 5.877 -13.266 0.437 1.00 0.00 O ATOM 461 CB ASN A 29 6.135 -12.604 3.468 1.00 0.00 C ATOM 462 CG ASN A 29 7.438 -12.375 2.725 1.00 0.00 C ATOM 463 OD1 ASN A 29 7.556 -11.444 1.928 1.00 0.00 O ATOM 464 ND2 ASN A 29 8.423 -13.227 2.984 1.00 0.00 N ATOM 0 HA ASN A 29 4.228 -13.564 3.218 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.632 -11.649 3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 29 6.350 -13.009 4.457 1.00 0.00 H new ATOM 0 HD21 ASN A 29 9.323 -13.124 2.515 1.00 0.00 H new ATOM 0 HD22 ASN A 29 8.280 -13.984 3.652 1.00 0.00 H new ATOM 471 N LEU A 30 3.858 -12.465 1.024 1.00 0.00 N ATOM 472 CA LEU A 30 3.549 -11.961 -0.309 1.00 0.00 C ATOM 473 C LEU A 30 3.333 -10.451 -0.283 1.00 0.00 C ATOM 474 O LEU A 30 2.530 -9.942 0.499 1.00 0.00 O ATOM 475 CB LEU A 30 2.304 -12.656 -0.864 1.00 0.00 C ATOM 476 CG LEU A 30 2.538 -13.997 -1.560 1.00 0.00 C ATOM 477 CD1 LEU A 30 3.639 -13.871 -2.603 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.886 -15.073 -0.543 1.00 0.00 C ATOM 0 H LEU A 30 3.127 -12.303 1.716 1.00 0.00 H new ATOM 0 HA LEU A 30 4.398 -12.178 -0.958 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.604 -12.813 -0.044 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.821 -11.982 -1.571 1.00 0.00 H new ATOM 0 HG LEU A 30 1.617 -14.288 -2.065 1.00 0.00 H new ATOM 0 HD11 LEU A 30 3.792 -14.835 -3.088 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.350 -13.131 -3.349 1.00 0.00 H new ATOM 0 HD13 LEU A 30 4.564 -13.557 -2.119 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.049 -16.020 -1.057 1.00 0.00 H new ATOM 0 HD22 LEU A 30 3.793 -14.789 -0.009 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.066 -15.182 0.167 1.00 0.00 H new ATOM 490 N TYR A 31 4.053 -9.741 -1.144 1.00 0.00 N ATOM 491 CA TYR A 31 3.940 -8.289 -1.220 1.00 0.00 C ATOM 492 C TYR A 31 3.323 -7.859 -2.548 1.00 0.00 C ATOM 493 O TYR A 31 3.929 -8.017 -3.608 1.00 0.00 O ATOM 494 CB TYR A 31 5.315 -7.640 -1.050 1.00 0.00 C ATOM 495 CG TYR A 31 6.046 -8.088 0.195 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.411 -8.102 1.431 1.00 0.00 C ATOM 497 CD2 TYR A 31 7.373 -8.497 0.136 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.075 -8.510 2.571 1.00 0.00 C ATOM 499 CE2 TYR A 31 8.044 -8.908 1.271 1.00 0.00 C ATOM 500 CZ TYR A 31 7.391 -8.912 2.486 1.00 0.00 C ATOM 501 OH TYR A 31 8.057 -9.320 3.620 1.00 0.00 O ATOM 0 H TYR A 31 4.721 -10.147 -1.799 1.00 0.00 H new ATOM 0 HA TYR A 31 3.287 -7.958 -0.413 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.926 -7.870 -1.923 1.00 0.00 H new ATOM 0 HB3 TYR A 31 5.195 -6.557 -1.021 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.380 -7.788 1.501 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.888 -8.493 -0.813 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.566 -8.514 3.524 1.00 0.00 H new ATOM 0 HE2 TYR A 31 9.075 -9.225 1.208 1.00 0.00 H new ATOM 0 HH TYR A 31 8.632 -10.084 3.405 1.00 0.00 H new ATOM 511 N PHE A 32 2.113 -7.313 -2.481 1.00 0.00 N ATOM 512 CA PHE A 32 1.412 -6.860 -3.676 1.00 0.00 C ATOM 513 C PHE A 32 1.359 -5.336 -3.730 1.00 0.00 C ATOM 514 O PHE A 32 1.439 -4.665 -2.702 1.00 0.00 O ATOM 515 CB PHE A 32 -0.007 -7.432 -3.709 1.00 0.00 C ATOM 516 CG PHE A 32 -0.061 -8.914 -3.472 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.147 -9.421 -2.185 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.024 -9.801 -4.536 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.198 -10.784 -1.964 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.074 -11.165 -4.321 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.160 -11.658 -3.033 1.00 0.00 C ATOM 0 H PHE A 32 1.598 -7.174 -1.612 1.00 0.00 H new ATOM 0 HA PHE A 32 1.961 -7.219 -4.547 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.611 -6.929 -2.954 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.457 -7.210 -4.677 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.174 -8.743 -1.345 1.00 0.00 H new ATOM 0 HD2 PHE A 32 0.045 -9.422 -5.545 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.268 -11.166 -0.956 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.046 -11.845 -5.159 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.197 -12.724 -2.863 1.00 0.00 H new ATOM 531 N GLN A 33 1.224 -4.797 -4.938 1.00 0.00 N ATOM 532 CA GLN A 33 1.162 -3.352 -5.127 1.00 0.00 C ATOM 533 C GLN A 33 0.090 -2.983 -6.147 1.00 0.00 C ATOM 534 O GLN A 33 -0.008 -3.596 -7.209 1.00 0.00 O ATOM 535 CB GLN A 33 2.521 -2.817 -5.580 1.00 0.00 C ATOM 536 CG GLN A 33 3.010 -3.425 -6.885 1.00 0.00 C ATOM 537 CD GLN A 33 4.056 -2.569 -7.571 1.00 0.00 C ATOM 538 OE1 GLN A 33 3.738 -1.542 -8.172 1.00 0.00 O ATOM 539 NE2 GLN A 33 5.313 -2.987 -7.486 1.00 0.00 N ATOM 0 H GLN A 33 1.156 -5.339 -5.800 1.00 0.00 H new ATOM 0 HA GLN A 33 0.901 -2.896 -4.172 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.456 -1.735 -5.695 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.257 -3.011 -4.800 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.427 -4.413 -6.688 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.163 -3.565 -7.556 1.00 0.00 H new ATOM 0 HE21 GLN A 33 5.532 -3.844 -6.978 1.00 0.00 H new ATOM 0 HE22 GLN A 33 6.060 -2.451 -7.929 1.00 0.00 H new ATOM 548 N GLY A 34 -0.712 -1.975 -5.817 1.00 0.00 N ATOM 549 CA GLY A 34 -1.766 -1.541 -6.715 1.00 0.00 C ATOM 550 C GLY A 34 -2.805 -0.684 -6.019 1.00 0.00 C ATOM 551 O GLY A 34 -3.904 -1.151 -5.719 1.00 0.00 O ATOM 0 H GLY A 34 -0.650 -1.451 -4.944 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.328 -0.978 -7.539 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.252 -2.415 -7.149 1.00 0.00 H new ATOM 555 N SER A 35 -2.456 0.572 -5.759 1.00 0.00 N ATOM 556 CA SER A 35 -3.365 1.494 -5.088 1.00 0.00 C ATOM 557 C SER A 35 -4.529 1.869 -6.000 1.00 0.00 C ATOM 558 O SER A 35 -4.329 2.299 -7.136 1.00 0.00 O ATOM 559 CB SER A 35 -2.616 2.755 -4.653 1.00 0.00 C ATOM 560 OG SER A 35 -3.481 3.656 -3.984 1.00 0.00 O ATOM 0 H SER A 35 -1.551 0.974 -6.003 1.00 0.00 H new ATOM 0 HA SER A 35 -3.764 0.994 -4.205 1.00 0.00 H new ATOM 0 HB2 SER A 35 -1.790 2.483 -3.996 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.181 3.243 -5.525 1.00 0.00 H new ATOM 0 HG SER A 35 -2.978 4.453 -3.715 1.00 0.00 H new ATOM 566 N SER A 36 -5.747 1.703 -5.494 1.00 0.00 N ATOM 567 CA SER A 36 -6.945 2.020 -6.263 1.00 0.00 C ATOM 568 C SER A 36 -7.562 3.333 -5.790 1.00 0.00 C ATOM 569 O SER A 36 -8.782 3.488 -5.775 1.00 0.00 O ATOM 570 CB SER A 36 -7.968 0.889 -6.143 1.00 0.00 C ATOM 571 OG SER A 36 -7.783 -0.076 -7.164 1.00 0.00 O ATOM 0 H SER A 36 -5.930 1.351 -4.554 1.00 0.00 H new ATOM 0 HA SER A 36 -6.658 2.130 -7.309 1.00 0.00 H new ATOM 0 HB2 SER A 36 -7.875 0.413 -5.167 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.976 1.298 -6.204 1.00 0.00 H new ATOM 0 HG SER A 36 -8.448 -0.789 -7.064 1.00 0.00 H new ATOM 577 N GLY A 37 -6.708 4.276 -5.404 1.00 0.00 N ATOM 578 CA GLY A 37 -7.188 5.563 -4.935 1.00 0.00 C ATOM 579 C GLY A 37 -6.570 5.965 -3.610 1.00 0.00 C ATOM 580 O GLY A 37 -5.460 6.497 -3.571 1.00 0.00 O ATOM 0 H GLY A 37 -5.693 4.172 -5.408 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.965 6.325 -5.682 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.272 5.527 -4.830 1.00 0.00 H new ATOM 584 N SER A 38 -7.290 5.711 -2.522 1.00 0.00 N ATOM 585 CA SER A 38 -6.808 6.055 -1.189 1.00 0.00 C ATOM 586 C SER A 38 -6.551 4.798 -0.364 1.00 0.00 C ATOM 587 O SER A 38 -7.074 3.725 -0.666 1.00 0.00 O ATOM 588 CB SER A 38 -7.820 6.951 -0.473 1.00 0.00 C ATOM 589 OG SER A 38 -8.146 8.083 -1.261 1.00 0.00 O ATOM 0 H SER A 38 -8.209 5.268 -2.537 1.00 0.00 H new ATOM 0 HA SER A 38 -5.868 6.596 -1.298 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.724 6.382 -0.256 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.410 7.276 0.484 1.00 0.00 H new ATOM 0 HG SER A 38 -8.796 8.639 -0.782 1.00 0.00 H new ATOM 595 N SER A 39 -5.741 4.939 0.681 1.00 0.00 N ATOM 596 CA SER A 39 -5.411 3.815 1.549 1.00 0.00 C ATOM 597 C SER A 39 -6.662 3.270 2.233 1.00 0.00 C ATOM 598 O SER A 39 -6.800 2.064 2.428 1.00 0.00 O ATOM 599 CB SER A 39 -4.386 4.240 2.602 1.00 0.00 C ATOM 600 OG SER A 39 -3.375 5.053 2.030 1.00 0.00 O ATOM 0 H SER A 39 -5.302 5.820 0.947 1.00 0.00 H new ATOM 0 HA SER A 39 -4.982 3.026 0.932 1.00 0.00 H new ATOM 0 HB2 SER A 39 -4.886 4.785 3.402 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.935 3.356 3.053 1.00 0.00 H new ATOM 0 HG SER A 39 -2.733 5.313 2.723 1.00 0.00 H new ATOM 606 N GLY A 40 -7.571 4.171 2.594 1.00 0.00 N ATOM 607 CA GLY A 40 -8.799 3.763 3.251 1.00 0.00 C ATOM 608 C GLY A 40 -9.685 2.922 2.354 1.00 0.00 C ATOM 609 O GLY A 40 -10.159 1.860 2.757 1.00 0.00 O ATOM 0 H GLY A 40 -7.479 5.176 2.443 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.556 3.197 4.150 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.348 4.649 3.571 1.00 0.00 H new ATOM 613 N ASP A 41 -9.912 3.399 1.135 1.00 0.00 N ATOM 614 CA ASP A 41 -10.749 2.685 0.178 1.00 0.00 C ATOM 615 C ASP A 41 -10.444 1.190 0.199 1.00 0.00 C ATOM 616 O ASP A 41 -11.353 0.362 0.215 1.00 0.00 O ATOM 617 CB ASP A 41 -10.538 3.241 -1.231 1.00 0.00 C ATOM 618 CG ASP A 41 -11.460 4.404 -1.539 1.00 0.00 C ATOM 619 OD1 ASP A 41 -11.260 5.491 -0.956 1.00 0.00 O ATOM 620 OD2 ASP A 41 -12.382 4.228 -2.362 1.00 0.00 O ATOM 0 H ASP A 41 -9.528 4.277 0.786 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.791 2.830 0.465 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.503 3.564 -1.340 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.703 2.448 -1.960 1.00 0.00 H new ATOM 625 N MET A 42 -9.158 0.854 0.198 1.00 0.00 N ATOM 626 CA MET A 42 -8.734 -0.541 0.217 1.00 0.00 C ATOM 627 C MET A 42 -9.613 -1.364 1.153 1.00 0.00 C ATOM 628 O MET A 42 -10.383 -2.215 0.708 1.00 0.00 O ATOM 629 CB MET A 42 -7.270 -0.646 0.650 1.00 0.00 C ATOM 630 CG MET A 42 -6.288 -0.586 -0.508 1.00 0.00 C ATOM 631 SD MET A 42 -5.912 -2.214 -1.185 1.00 0.00 S ATOM 632 CE MET A 42 -5.505 -1.792 -2.878 1.00 0.00 C ATOM 0 H MET A 42 -8.392 1.528 0.184 1.00 0.00 H new ATOM 0 HA MET A 42 -8.836 -0.939 -0.793 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.047 0.162 1.347 1.00 0.00 H new ATOM 0 HB3 MET A 42 -7.126 -1.582 1.190 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.700 0.045 -1.296 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.365 -0.114 -0.172 1.00 0.00 H new ATOM 0 HE1 MET A 42 -5.458 -2.701 -3.478 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.271 -1.130 -3.282 1.00 0.00 H new ATOM 0 HE3 MET A 42 -4.539 -1.289 -2.905 1.00 0.00 H new ATOM 642 N MET A 43 -9.493 -1.105 2.451 1.00 0.00 N ATOM 643 CA MET A 43 -10.279 -1.822 3.449 1.00 0.00 C ATOM 644 C MET A 43 -11.676 -2.132 2.921 1.00 0.00 C ATOM 645 O MET A 43 -12.215 -3.212 3.161 1.00 0.00 O ATOM 646 CB MET A 43 -10.377 -1.002 4.736 1.00 0.00 C ATOM 647 CG MET A 43 -9.026 -0.644 5.334 1.00 0.00 C ATOM 648 SD MET A 43 -8.109 -2.092 5.894 1.00 0.00 S ATOM 649 CE MET A 43 -8.932 -2.435 7.447 1.00 0.00 C ATOM 0 H MET A 43 -8.860 -0.405 2.836 1.00 0.00 H new ATOM 0 HA MET A 43 -9.775 -2.764 3.665 1.00 0.00 H new ATOM 0 HB2 MET A 43 -10.929 -0.085 4.531 1.00 0.00 H new ATOM 0 HB3 MET A 43 -10.953 -1.563 5.472 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.434 -0.109 4.591 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.173 0.035 6.174 1.00 0.00 H new ATOM 0 HE1 MET A 43 -8.712 -3.457 7.757 1.00 0.00 H new ATOM 0 HE2 MET A 43 -8.577 -1.740 8.208 1.00 0.00 H new ATOM 0 HE3 MET A 43 -10.008 -2.317 7.322 1.00 0.00 H new ATOM 659 N ARG A 44 -12.257 -1.178 2.201 1.00 0.00 N ATOM 660 CA ARG A 44 -13.592 -1.349 1.641 1.00 0.00 C ATOM 661 C ARG A 44 -13.551 -2.235 0.400 1.00 0.00 C ATOM 662 O ARG A 44 -14.158 -3.306 0.371 1.00 0.00 O ATOM 663 CB ARG A 44 -14.199 0.011 1.290 1.00 0.00 C ATOM 664 CG ARG A 44 -14.693 0.788 2.500 1.00 0.00 C ATOM 665 CD ARG A 44 -13.563 1.555 3.169 1.00 0.00 C ATOM 666 NE ARG A 44 -14.048 2.733 3.882 1.00 0.00 N ATOM 667 CZ ARG A 44 -13.253 3.589 4.514 1.00 0.00 C ATOM 668 NH1 ARG A 44 -11.941 3.399 4.520 1.00 0.00 N ATOM 669 NH2 ARG A 44 -13.770 4.638 5.140 1.00 0.00 N ATOM 0 H ARG A 44 -11.824 -0.278 1.992 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.215 -1.834 2.393 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.453 0.608 0.765 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.030 -0.138 0.601 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -15.474 1.483 2.193 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -15.142 0.100 3.217 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -13.042 0.898 3.866 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -12.837 1.861 2.416 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.053 2.908 3.896 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -11.540 2.594 4.039 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -11.333 4.058 5.006 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -14.779 4.788 5.136 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -13.159 5.295 5.625 1.00 0.00 H new ATOM 683 N GLU A 45 -12.833 -1.781 -0.622 1.00 0.00 N ATOM 684 CA GLU A 45 -12.715 -2.533 -1.866 1.00 0.00 C ATOM 685 C GLU A 45 -12.383 -3.996 -1.588 1.00 0.00 C ATOM 686 O GLU A 45 -13.090 -4.900 -2.034 1.00 0.00 O ATOM 687 CB GLU A 45 -11.639 -1.916 -2.761 1.00 0.00 C ATOM 688 CG GLU A 45 -11.504 -2.599 -4.111 1.00 0.00 C ATOM 689 CD GLU A 45 -12.846 -2.874 -4.762 1.00 0.00 C ATOM 690 OE1 GLU A 45 -13.379 -1.964 -5.432 1.00 0.00 O ATOM 691 OE2 GLU A 45 -13.364 -3.999 -4.602 1.00 0.00 O ATOM 0 H GLU A 45 -12.324 -0.897 -0.613 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.675 -2.487 -2.380 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.870 -0.862 -2.918 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.680 -1.959 -2.244 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.905 -1.973 -4.772 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -10.965 -3.538 -3.987 1.00 0.00 H new ATOM 698 N ILE A 46 -11.303 -4.221 -0.848 1.00 0.00 N ATOM 699 CA ILE A 46 -10.877 -5.574 -0.509 1.00 0.00 C ATOM 700 C ILE A 46 -12.076 -6.472 -0.223 1.00 0.00 C ATOM 701 O ILE A 46 -12.316 -7.448 -0.933 1.00 0.00 O ATOM 702 CB ILE A 46 -9.941 -5.580 0.714 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.689 -4.749 0.429 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.564 -7.006 1.085 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.976 -4.282 1.680 1.00 0.00 C ATOM 0 H ILE A 46 -10.707 -3.484 -0.471 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.335 -5.960 -1.372 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.466 -5.133 1.558 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.999 -5.341 -0.173 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.967 -3.880 -0.167 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.902 -6.994 1.951 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.465 -7.570 1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -9.054 -7.478 0.245 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -7.098 -3.699 1.402 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.650 -3.664 2.273 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.666 -5.147 2.267 1.00 0.00 H new ATOM 717 N ARG A 47 -12.826 -6.133 0.820 1.00 0.00 N ATOM 718 CA ARG A 47 -14.000 -6.909 1.200 1.00 0.00 C ATOM 719 C ARG A 47 -14.791 -7.337 -0.032 1.00 0.00 C ATOM 720 O ARG A 47 -15.212 -8.488 -0.145 1.00 0.00 O ATOM 721 CB ARG A 47 -14.895 -6.094 2.136 1.00 0.00 C ATOM 722 CG ARG A 47 -14.182 -5.601 3.385 1.00 0.00 C ATOM 723 CD ARG A 47 -14.767 -4.287 3.879 1.00 0.00 C ATOM 724 NE ARG A 47 -16.066 -4.473 4.519 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.217 -4.749 5.810 1.00 0.00 C ATOM 726 NH1 ARG A 47 -15.154 -4.869 6.594 1.00 0.00 N ATOM 727 NH2 ARG A 47 -17.432 -4.904 6.319 1.00 0.00 N ATOM 0 H ARG A 47 -12.642 -5.327 1.417 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.660 -7.804 1.721 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -15.290 -5.237 1.591 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.748 -6.705 2.432 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.260 -6.353 4.170 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.121 -5.471 3.172 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.077 -3.826 4.586 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.871 -3.599 3.040 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.904 -4.386 3.943 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -14.218 -4.749 6.206 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -15.272 -5.081 7.585 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.252 -4.811 5.719 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -17.546 -5.116 7.310 1.00 0.00 H new ATOM 741 N LYS A 48 -14.991 -6.402 -0.955 1.00 0.00 N ATOM 742 CA LYS A 48 -15.730 -6.681 -2.180 1.00 0.00 C ATOM 743 C LYS A 48 -15.266 -7.990 -2.810 1.00 0.00 C ATOM 744 O LYS A 48 -16.078 -8.858 -3.132 1.00 0.00 O ATOM 745 CB LYS A 48 -15.557 -5.533 -3.178 1.00 0.00 C ATOM 746 CG LYS A 48 -16.608 -5.515 -4.274 1.00 0.00 C ATOM 747 CD LYS A 48 -16.221 -6.420 -5.432 1.00 0.00 C ATOM 748 CE LYS A 48 -15.412 -5.671 -6.479 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.944 -6.573 -7.568 1.00 0.00 N ATOM 0 H LYS A 48 -14.651 -5.443 -0.877 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.785 -6.776 -1.924 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.590 -4.586 -2.639 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.570 -5.605 -3.634 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.567 -5.835 -3.866 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.740 -4.495 -4.636 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.641 -7.264 -5.058 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -17.121 -6.830 -5.891 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -16.020 -4.873 -6.905 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.552 -5.199 -6.004 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -14.396 -6.025 -8.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -14.343 -7.320 -7.166 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -15.765 -7.005 -8.038 1.00 0.00 H new ATOM 763 N VAL A 49 -13.955 -8.126 -2.982 1.00 0.00 N ATOM 764 CA VAL A 49 -13.383 -9.331 -3.571 1.00 0.00 C ATOM 765 C VAL A 49 -13.708 -10.561 -2.731 1.00 0.00 C ATOM 766 O VAL A 49 -14.136 -11.590 -3.257 1.00 0.00 O ATOM 767 CB VAL A 49 -11.854 -9.213 -3.717 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.314 -10.328 -4.599 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.477 -7.849 -4.276 1.00 0.00 C ATOM 0 H VAL A 49 -13.269 -7.417 -2.722 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.828 -9.442 -4.560 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.403 -9.313 -2.730 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.232 -10.228 -4.690 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.553 -11.293 -4.152 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.769 -10.263 -5.587 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.393 -7.782 -4.373 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.938 -7.717 -5.255 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.830 -7.069 -3.601 1.00 0.00 H new ATOM 779 N LEU A 50 -13.503 -10.449 -1.423 1.00 0.00 N ATOM 780 CA LEU A 50 -13.776 -11.552 -0.509 1.00 0.00 C ATOM 781 C LEU A 50 -15.201 -12.066 -0.685 1.00 0.00 C ATOM 782 O LEU A 50 -15.418 -13.247 -0.952 1.00 0.00 O ATOM 783 CB LEU A 50 -13.557 -11.107 0.938 1.00 0.00 C ATOM 784 CG LEU A 50 -12.209 -10.452 1.242 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.218 -9.832 2.631 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.082 -11.466 1.116 1.00 0.00 C ATOM 0 H LEU A 50 -13.149 -9.606 -0.972 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.086 -12.363 -0.742 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.348 -10.406 1.205 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.670 -11.976 1.586 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.040 -9.659 0.513 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.251 -9.371 2.830 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.000 -9.074 2.686 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.410 -10.606 3.374 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.131 -10.982 1.336 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.246 -12.281 1.821 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.061 -11.863 0.101 1.00 0.00 H new ATOM 798 N GLY A 51 -16.171 -11.169 -0.535 1.00 0.00 N ATOM 799 CA GLY A 51 -17.564 -11.550 -0.682 1.00 0.00 C ATOM 800 C GLY A 51 -17.833 -12.264 -1.992 1.00 0.00 C ATOM 801 O GLY A 51 -18.626 -13.204 -2.042 1.00 0.00 O ATOM 0 H GLY A 51 -16.017 -10.185 -0.314 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.850 -12.197 0.147 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.190 -10.660 -0.622 1.00 0.00 H new ATOM 805 N ALA A 52 -17.173 -11.817 -3.055 1.00 0.00 N ATOM 806 CA ALA A 52 -17.346 -12.420 -4.371 1.00 0.00 C ATOM 807 C ALA A 52 -16.950 -13.892 -4.356 1.00 0.00 C ATOM 808 O ALA A 52 -17.616 -14.729 -4.964 1.00 0.00 O ATOM 809 CB ALA A 52 -16.531 -11.663 -5.409 1.00 0.00 C ATOM 0 H ALA A 52 -16.513 -11.039 -3.031 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.401 -12.357 -4.637 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.669 -12.124 -6.387 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.863 -10.626 -5.446 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.476 -11.697 -5.138 1.00 0.00 H new ATOM 815 N ASN A 53 -15.862 -14.201 -3.659 1.00 0.00 N ATOM 816 CA ASN A 53 -15.377 -15.573 -3.566 1.00 0.00 C ATOM 817 C ASN A 53 -15.916 -16.258 -2.314 1.00 0.00 C ATOM 818 O ASN A 53 -15.202 -17.004 -1.645 1.00 0.00 O ATOM 819 CB ASN A 53 -13.847 -15.596 -3.555 1.00 0.00 C ATOM 820 CG ASN A 53 -13.258 -15.566 -4.952 1.00 0.00 C ATOM 821 OD1 ASN A 53 -12.863 -16.599 -5.493 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.197 -14.379 -5.543 1.00 0.00 N ATOM 0 H ASN A 53 -15.299 -13.520 -3.150 1.00 0.00 H new ATOM 0 HA ASN A 53 -15.736 -16.118 -4.439 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.478 -14.740 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.504 -16.492 -3.038 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -12.811 -14.297 -6.483 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.536 -13.549 -5.057 1.00 0.00 H new ATOM 829 N ASN A 54 -17.182 -15.998 -2.002 1.00 0.00 N ATOM 830 CA ASN A 54 -17.817 -16.589 -0.830 1.00 0.00 C ATOM 831 C ASN A 54 -16.850 -16.632 0.349 1.00 0.00 C ATOM 832 O ASN A 54 -16.825 -17.601 1.109 1.00 0.00 O ATOM 833 CB ASN A 54 -18.313 -18.000 -1.150 1.00 0.00 C ATOM 834 CG ASN A 54 -19.452 -18.000 -2.152 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.248 -18.248 -3.340 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.659 -17.722 -1.675 1.00 0.00 N ATOM 0 H ASN A 54 -17.788 -15.382 -2.544 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.668 -15.966 -0.556 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.487 -18.592 -1.544 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -18.642 -18.484 -0.230 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.464 -17.708 -2.301 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -20.782 -17.522 -0.682 1.00 0.00 H new ATOM 843 N CYS A 55 -16.057 -15.577 0.495 1.00 0.00 N ATOM 844 CA CYS A 55 -15.088 -15.494 1.582 1.00 0.00 C ATOM 845 C CYS A 55 -15.620 -14.629 2.720 1.00 0.00 C ATOM 846 O CYS A 55 -16.592 -13.893 2.552 1.00 0.00 O ATOM 847 CB CYS A 55 -13.763 -14.926 1.070 1.00 0.00 C ATOM 848 SG CYS A 55 -12.823 -16.068 0.030 1.00 0.00 S ATOM 0 H CYS A 55 -16.066 -14.767 -0.125 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.920 -16.501 1.963 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -13.965 -14.017 0.503 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.149 -14.639 1.924 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.623 -16.640 -0.820 1.00 0.00 H new ATOM 854 N ASP A 56 -14.976 -14.724 3.879 1.00 0.00 N ATOM 855 CA ASP A 56 -15.385 -13.951 5.046 1.00 0.00 C ATOM 856 C ASP A 56 -14.272 -13.006 5.488 1.00 0.00 C ATOM 857 O ASP A 56 -13.113 -13.174 5.108 1.00 0.00 O ATOM 858 CB ASP A 56 -15.764 -14.885 6.196 1.00 0.00 C ATOM 859 CG ASP A 56 -16.582 -14.186 7.264 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.698 -13.723 6.948 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.106 -14.101 8.415 1.00 0.00 O ATOM 0 H ASP A 56 -14.169 -15.328 4.035 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.255 -13.356 4.770 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -16.331 -15.729 5.803 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.857 -15.291 6.645 1.00 0.00 H new ATOM 866 N TYR A 57 -14.633 -12.011 6.291 1.00 0.00 N ATOM 867 CA TYR A 57 -13.666 -11.036 6.782 1.00 0.00 C ATOM 868 C TYR A 57 -14.158 -10.381 8.069 1.00 0.00 C ATOM 869 O TYR A 57 -15.349 -10.117 8.227 1.00 0.00 O ATOM 870 CB TYR A 57 -13.404 -9.967 5.720 1.00 0.00 C ATOM 871 CG TYR A 57 -14.652 -9.512 4.998 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.316 -10.355 4.116 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.169 -8.238 5.200 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.456 -9.943 3.454 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.310 -7.817 4.543 1.00 0.00 C ATOM 876 CZ TYR A 57 -16.949 -8.674 3.671 1.00 0.00 C ATOM 877 OH TYR A 57 -18.086 -8.260 3.015 1.00 0.00 O ATOM 0 H TYR A 57 -15.588 -11.858 6.616 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.735 -11.561 6.996 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.933 -9.105 6.193 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.694 -10.358 4.991 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.934 -11.351 3.945 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.671 -7.565 5.882 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.958 -10.611 2.770 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.699 -6.824 4.711 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.300 -7.341 3.280 1.00 0.00 H new ATOM 887 N GLU A 58 -13.230 -10.121 8.985 1.00 0.00 N ATOM 888 CA GLU A 58 -13.569 -9.497 10.258 1.00 0.00 C ATOM 889 C GLU A 58 -12.612 -8.352 10.575 1.00 0.00 C ATOM 890 O GLU A 58 -11.466 -8.578 10.964 1.00 0.00 O ATOM 891 CB GLU A 58 -13.534 -10.533 11.384 1.00 0.00 C ATOM 892 CG GLU A 58 -13.857 -9.955 12.752 1.00 0.00 C ATOM 893 CD GLU A 58 -14.425 -10.991 13.703 1.00 0.00 C ATOM 894 OE1 GLU A 58 -15.548 -11.476 13.451 1.00 0.00 O ATOM 895 OE2 GLU A 58 -13.746 -11.317 14.699 1.00 0.00 O ATOM 0 H GLU A 58 -12.239 -10.333 8.869 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.578 -9.092 10.178 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.245 -11.328 11.157 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -12.545 -10.990 11.416 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.953 -9.527 13.184 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -14.572 -9.140 12.639 1.00 0.00 H new ATOM 902 N GLN A 59 -13.091 -7.124 10.405 1.00 0.00 N ATOM 903 CA GLN A 59 -12.277 -5.944 10.672 1.00 0.00 C ATOM 904 C GLN A 59 -11.933 -5.843 12.154 1.00 0.00 C ATOM 905 O GLN A 59 -12.809 -5.620 12.990 1.00 0.00 O ATOM 906 CB GLN A 59 -13.010 -4.680 10.219 1.00 0.00 C ATOM 907 CG GLN A 59 -12.080 -3.569 9.758 1.00 0.00 C ATOM 908 CD GLN A 59 -12.651 -2.188 10.010 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.703 -2.043 10.634 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.959 -1.163 9.526 1.00 0.00 N ATOM 0 H GLN A 59 -14.037 -6.920 10.084 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.349 -6.039 10.109 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.688 -4.936 9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.623 -4.311 11.041 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.125 -3.663 10.274 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.880 -3.686 8.693 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.092 -1.329 9.015 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.294 -0.210 9.665 1.00 0.00 H new ATOM 919 N ARG A 60 -10.654 -6.009 12.472 1.00 0.00 N ATOM 920 CA ARG A 60 -10.195 -5.938 13.854 1.00 0.00 C ATOM 921 C ARG A 60 -9.764 -4.518 14.212 1.00 0.00 C ATOM 922 O ARG A 60 -10.222 -3.952 15.203 1.00 0.00 O ATOM 923 CB ARG A 60 -9.032 -6.907 14.078 1.00 0.00 C ATOM 924 CG ARG A 60 -9.412 -8.367 13.891 1.00 0.00 C ATOM 925 CD ARG A 60 -9.902 -8.986 15.190 1.00 0.00 C ATOM 926 NE ARG A 60 -10.193 -10.410 15.041 1.00 0.00 N ATOM 927 CZ ARG A 60 -10.461 -11.216 16.063 1.00 0.00 C ATOM 928 NH1 ARG A 60 -10.475 -10.740 17.301 1.00 0.00 N ATOM 929 NH2 ARG A 60 -10.715 -12.500 15.848 1.00 0.00 N ATOM 0 H ARG A 60 -9.917 -6.194 11.792 1.00 0.00 H new ATOM 0 HA ARG A 60 -11.025 -6.221 14.501 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.225 -6.659 13.388 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.643 -6.768 15.087 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.190 -8.447 13.132 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.550 -8.924 13.524 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.147 -8.849 15.964 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.799 -8.465 15.524 1.00 0.00 H new ATOM 0 HE ARG A 60 -10.190 -10.807 14.101 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -10.280 -9.753 17.470 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -10.681 -11.361 18.084 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -10.705 -12.870 14.897 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -10.921 -13.118 16.633 1.00 0.00 H new ATOM 943 N GLU A 61 -8.879 -3.951 13.397 1.00 0.00 N ATOM 944 CA GLU A 61 -8.386 -2.599 13.630 1.00 0.00 C ATOM 945 C GLU A 61 -8.811 -1.663 12.502 1.00 0.00 C ATOM 946 O GLU A 61 -9.474 -2.080 11.552 1.00 0.00 O ATOM 947 CB GLU A 61 -6.861 -2.603 13.755 1.00 0.00 C ATOM 948 CG GLU A 61 -6.345 -3.486 14.879 1.00 0.00 C ATOM 949 CD GLU A 61 -4.869 -3.277 15.155 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.524 -2.259 15.792 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.059 -4.129 14.735 1.00 0.00 O ATOM 0 H GLU A 61 -8.490 -4.406 12.571 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.820 -2.238 14.562 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.428 -2.939 12.813 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.516 -1.582 13.918 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.913 -3.281 15.787 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.518 -4.531 14.623 1.00 0.00 H new ATOM 958 N ARG A 62 -8.426 -0.396 12.614 1.00 0.00 N ATOM 959 CA ARG A 62 -8.769 0.599 11.606 1.00 0.00 C ATOM 960 C ARG A 62 -8.219 0.200 10.239 1.00 0.00 C ATOM 961 O ARG A 62 -8.938 0.220 9.240 1.00 0.00 O ATOM 962 CB ARG A 62 -8.222 1.971 12.006 1.00 0.00 C ATOM 963 CG ARG A 62 -8.295 3.004 10.894 1.00 0.00 C ATOM 964 CD ARG A 62 -8.447 4.411 11.449 1.00 0.00 C ATOM 965 NE ARG A 62 -7.158 5.006 11.793 1.00 0.00 N ATOM 966 CZ ARG A 62 -6.954 6.315 11.884 1.00 0.00 C ATOM 967 NH1 ARG A 62 -7.949 7.162 11.658 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.753 6.780 12.202 1.00 0.00 N ATOM 0 H ARG A 62 -7.876 -0.034 13.393 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.856 0.653 11.540 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.779 2.338 12.868 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.184 1.861 12.321 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.393 2.948 10.284 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.137 2.777 10.240 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.951 5.038 10.714 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -9.082 4.385 12.335 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.372 4.382 11.973 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.874 6.809 11.414 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.789 8.167 11.729 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.985 6.132 12.377 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.597 7.786 12.272 1.00 0.00 H new ATOM 982 N PHE A 63 -6.941 -0.162 10.204 1.00 0.00 N ATOM 983 CA PHE A 63 -6.295 -0.564 8.960 1.00 0.00 C ATOM 984 C PHE A 63 -5.925 -2.044 8.993 1.00 0.00 C ATOM 985 O PHE A 63 -4.848 -2.437 8.545 1.00 0.00 O ATOM 986 CB PHE A 63 -5.042 0.280 8.715 1.00 0.00 C ATOM 987 CG PHE A 63 -5.336 1.734 8.479 1.00 0.00 C ATOM 988 CD1 PHE A 63 -5.943 2.150 7.305 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.006 2.685 9.431 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.214 3.487 7.085 1.00 0.00 C ATOM 991 CE2 PHE A 63 -5.275 4.024 9.217 1.00 0.00 C ATOM 992 CZ PHE A 63 -5.880 4.425 8.042 1.00 0.00 C ATOM 0 H PHE A 63 -6.332 -0.185 11.022 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.000 -0.401 8.145 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.377 0.187 9.574 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.508 -0.119 7.853 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.207 1.421 6.553 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -4.533 2.376 10.352 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -6.687 3.798 6.165 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.013 4.755 9.967 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.092 5.470 7.872 1.00 0.00 H new ATOM 1002 N LEU A 64 -6.827 -2.861 9.527 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.597 -4.298 9.620 1.00 0.00 C ATOM 1004 C LEU A 64 -7.881 -5.074 9.342 1.00 0.00 C ATOM 1005 O LEU A 64 -8.973 -4.642 9.714 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.059 -4.660 11.006 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.393 -6.031 11.130 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -3.942 -5.962 10.678 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.484 -6.540 12.561 1.00 0.00 C ATOM 0 H LEU A 64 -7.724 -2.552 9.902 1.00 0.00 H new ATOM 0 HA LEU A 64 -5.858 -4.572 8.867 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.337 -3.899 11.304 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.883 -4.613 11.718 1.00 0.00 H new ATOM 0 HG LEU A 64 -5.921 -6.731 10.482 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -3.484 -6.947 10.773 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -3.900 -5.641 9.637 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.401 -5.249 11.299 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.005 -7.517 12.631 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.981 -5.841 13.229 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.531 -6.628 12.850 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.743 -6.222 8.688 1.00 0.00 N ATOM 1022 CA LEU A 65 -8.891 -7.060 8.362 1.00 0.00 C ATOM 1023 C LEU A 65 -8.503 -8.535 8.349 1.00 0.00 C ATOM 1024 O LEU A 65 -7.530 -8.925 7.703 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.469 -6.661 7.003 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.558 -5.587 7.026 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.577 -4.818 5.714 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.918 -6.212 7.300 1.00 0.00 C ATOM 0 H LEU A 65 -6.847 -6.594 8.373 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.649 -6.910 9.131 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.653 -6.309 6.373 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -9.877 -7.553 6.528 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.334 -4.887 7.831 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.358 -4.058 5.749 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.611 -4.338 5.559 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -10.776 -5.506 4.892 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.680 -5.433 7.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.151 -6.935 6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.899 -6.717 8.266 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.271 -9.350 9.064 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.008 -10.783 9.134 1.00 0.00 C ATOM 1042 C PHE A 66 -9.690 -11.517 7.983 1.00 0.00 C ATOM 1043 O PHE A 66 -10.871 -11.857 8.063 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.490 -11.347 10.472 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.896 -12.685 10.807 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -9.060 -13.764 9.954 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -8.174 -12.863 11.977 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -8.514 -14.997 10.260 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -7.626 -14.093 12.287 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.797 -15.161 11.429 1.00 0.00 C ATOM 0 H PHE A 66 -10.081 -9.043 9.603 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.932 -10.935 9.051 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.244 -10.640 11.265 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.576 -11.436 10.450 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -9.621 -13.641 9.039 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -8.038 -12.032 12.653 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -8.648 -15.830 9.586 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -7.064 -14.219 13.201 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.371 -16.123 11.672 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.939 -11.758 6.915 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.470 -12.451 5.747 1.00 0.00 C ATOM 1062 C CYS A 67 -9.350 -13.963 5.910 1.00 0.00 C ATOM 1063 O CYS A 67 -8.307 -14.472 6.320 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.735 -12.002 4.483 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.889 -10.236 4.128 1.00 0.00 S ATOM 0 H CYS A 67 -7.960 -11.484 6.833 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.526 -12.197 5.654 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.678 -12.251 4.582 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -9.117 -12.567 3.633 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.021 -9.898 3.221 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.425 -14.675 5.587 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.440 -16.129 5.698 1.00 0.00 C ATOM 1073 C VAL A 68 -11.322 -16.753 4.623 1.00 0.00 C ATOM 1074 O VAL A 68 -12.487 -16.384 4.469 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.940 -16.581 7.083 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.411 -16.235 7.259 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.708 -18.072 7.273 1.00 0.00 C ATOM 0 H VAL A 68 -11.296 -14.269 5.246 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.413 -16.467 5.563 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.372 -16.049 7.846 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.746 -16.562 8.243 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.544 -15.157 7.170 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.998 -16.738 6.490 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.067 -18.374 8.257 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.248 -18.625 6.504 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.642 -18.287 7.194 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.759 -17.702 3.881 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.496 -18.379 2.819 1.00 0.00 C ATOM 1089 C HIS A 69 -11.992 -19.743 3.288 1.00 0.00 C ATOM 1090 O HIS A 69 -11.243 -20.517 3.882 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.613 -18.542 1.581 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.168 -19.499 0.572 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.477 -20.605 0.124 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.356 -19.511 -0.077 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.216 -21.256 -0.757 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.361 -20.613 -0.896 1.00 0.00 N ATOM 0 H HIS A 69 -9.796 -18.019 3.995 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.360 -17.766 2.561 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.478 -17.568 1.110 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.626 -18.886 1.891 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.152 -18.788 0.030 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -10.932 -22.160 -1.275 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -13.125 -20.890 -1.512 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.262 -20.031 3.016 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.836 -21.302 3.418 1.00 0.00 C ATOM 1107 C GLY A 70 -14.554 -21.999 2.279 1.00 0.00 C ATOM 1108 O GLY A 70 -15.780 -21.946 2.184 1.00 0.00 O ATOM 0 H GLY A 70 -13.903 -19.407 2.525 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.046 -21.951 3.797 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.535 -21.139 4.238 1.00 0.00 H new ATOM 1112 N ASP A 71 -13.789 -22.654 1.413 1.00 0.00 N ATOM 1113 CA ASP A 71 -14.359 -23.365 0.274 1.00 0.00 C ATOM 1114 C ASP A 71 -15.493 -24.283 0.719 1.00 0.00 C ATOM 1115 O ASP A 71 -16.541 -24.347 0.078 1.00 0.00 O ATOM 1116 CB ASP A 71 -13.278 -24.178 -0.440 1.00 0.00 C ATOM 1117 CG ASP A 71 -13.859 -25.268 -1.318 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -14.132 -24.992 -2.505 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -14.039 -26.399 -0.819 1.00 0.00 O ATOM 0 H ASP A 71 -12.772 -22.708 1.478 1.00 0.00 H new ATOM 0 HA ASP A 71 -14.764 -22.627 -0.418 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -12.669 -23.511 -1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -12.616 -24.626 0.301 1.00 0.00 H new ATOM 1124 N GLY A 72 -15.274 -24.994 1.822 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.286 -25.900 2.332 1.00 0.00 C ATOM 1126 C GLY A 72 -16.093 -26.215 3.803 1.00 0.00 C ATOM 1127 O GLY A 72 -17.040 -26.154 4.588 1.00 0.00 O ATOM 0 H GLY A 72 -14.415 -24.958 2.370 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.272 -25.459 2.184 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -16.262 -26.827 1.759 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.864 -26.555 4.177 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.550 -26.882 5.564 1.00 0.00 C ATOM 1133 C HIS A 73 -13.104 -26.523 5.892 1.00 0.00 C ATOM 1134 O HIS A 73 -12.349 -26.087 5.023 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.791 -28.368 5.826 1.00 0.00 C ATOM 1136 CG HIS A 73 -16.184 -28.678 6.281 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -16.500 -28.977 7.589 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -17.349 -28.732 5.592 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -17.798 -29.203 7.686 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -18.336 -29.060 6.488 1.00 0.00 N ATOM 0 H HIS A 73 -14.069 -26.611 3.540 1.00 0.00 H new ATOM 0 HA HIS A 73 -15.206 -26.296 6.208 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.582 -28.928 4.914 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -14.085 -28.714 6.581 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -17.477 -28.551 4.535 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -18.329 -29.461 8.591 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -19.325 -29.175 6.265 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.725 -26.710 7.152 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.369 -26.407 7.595 1.00 0.00 C ATOM 1151 C ALA A 74 -10.338 -26.925 6.599 1.00 0.00 C ATOM 1152 O ALA A 74 -9.383 -26.226 6.260 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.119 -27.002 8.973 1.00 0.00 C ATOM 0 H ALA A 74 -13.337 -27.070 7.884 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.266 -25.324 7.655 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.103 -26.768 9.291 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -11.828 -26.581 9.685 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.246 -28.084 8.931 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.536 -28.155 6.133 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.621 -28.766 5.177 1.00 0.00 C ATOM 1161 C GLU A 75 -9.222 -27.769 4.093 1.00 0.00 C ATOM 1162 O GLU A 75 -8.045 -27.634 3.762 1.00 0.00 O ATOM 1163 CB GLU A 75 -10.264 -29.999 4.538 1.00 0.00 C ATOM 1164 CG GLU A 75 -10.574 -31.106 5.532 1.00 0.00 C ATOM 1165 CD GLU A 75 -10.830 -32.440 4.857 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -11.984 -32.687 4.449 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -9.876 -33.237 4.737 1.00 0.00 O ATOM 0 H GLU A 75 -11.322 -28.747 6.402 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.724 -29.071 5.716 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -11.186 -29.701 4.040 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.598 -30.389 3.769 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -9.741 -31.209 6.228 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -11.448 -30.827 6.120 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.212 -27.072 3.544 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.964 -26.088 2.496 1.00 0.00 C ATOM 1176 C ASN A 76 -10.145 -24.670 3.029 1.00 0.00 C ATOM 1177 O ASN A 76 -10.673 -23.797 2.338 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.906 -26.324 1.313 1.00 0.00 C ATOM 1179 CG ASN A 76 -10.916 -27.772 0.863 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.146 -28.166 -0.013 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -11.792 -28.571 1.461 1.00 0.00 N ATOM 0 H ASN A 76 -11.193 -27.170 3.807 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.933 -26.203 2.160 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -11.917 -26.026 1.592 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.605 -25.689 0.480 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.846 -29.555 1.199 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.411 -28.200 2.182 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.702 -24.446 4.261 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.814 -23.133 4.888 1.00 0.00 C ATOM 1190 C LEU A 77 -8.437 -22.508 5.092 1.00 0.00 C ATOM 1191 O LEU A 77 -7.506 -23.169 5.552 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.539 -23.246 6.230 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.979 -21.929 6.868 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.381 -21.556 6.410 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.921 -22.025 8.386 1.00 0.00 C ATOM 0 H LEU A 77 -9.262 -25.156 4.846 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.391 -22.489 4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.421 -23.872 6.092 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.885 -23.765 6.931 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.293 -21.146 6.547 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.677 -20.616 6.875 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.392 -21.444 5.326 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -13.080 -22.340 6.701 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.238 -21.078 8.823 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.584 -22.821 8.726 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.900 -22.245 8.698 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.316 -21.230 4.747 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.054 -20.515 4.895 1.00 0.00 C ATOM 1209 C VAL A 78 -7.263 -19.168 5.578 1.00 0.00 C ATOM 1210 O VAL A 78 -7.932 -18.286 5.040 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.375 -20.287 3.532 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.104 -19.469 3.698 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.078 -21.617 2.856 1.00 0.00 C ATOM 0 H VAL A 78 -9.076 -20.669 4.363 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.408 -21.137 5.514 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.059 -19.726 2.895 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.638 -19.318 2.724 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.349 -18.502 4.137 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.413 -20.000 4.352 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.598 -21.437 1.894 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.414 -22.206 3.488 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.009 -22.162 2.701 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.687 -19.017 6.766 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.810 -17.777 7.523 1.00 0.00 C ATOM 1225 C GLN A 79 -5.615 -16.864 7.271 1.00 0.00 C ATOM 1226 O GLN A 79 -4.464 -17.286 7.387 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.931 -18.077 9.018 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.012 -19.094 9.349 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.481 -20.513 9.402 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -6.979 -20.963 10.432 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -7.590 -21.228 8.288 1.00 0.00 N ATOM 0 H GLN A 79 -6.130 -19.738 7.225 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.712 -17.265 7.188 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.973 -18.445 9.385 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -7.141 -17.149 9.550 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.461 -18.842 10.310 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.803 -19.034 8.602 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -8.013 -20.815 7.457 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -7.251 -22.190 8.264 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.895 -15.613 6.925 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.843 -14.640 6.656 1.00 0.00 C ATOM 1242 C TRP A 80 -5.336 -13.220 6.910 1.00 0.00 C ATOM 1243 O TRP A 80 -6.493 -12.899 6.644 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.354 -14.773 5.212 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.229 -14.067 4.221 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.075 -12.793 3.753 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.396 -14.594 3.580 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.075 -12.497 2.858 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.898 -13.586 2.734 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -7.063 -15.820 3.635 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.036 -13.768 1.953 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -8.193 -15.999 2.860 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.670 -14.978 2.028 1.00 0.00 C ATOM 0 H TRP A 80 -6.842 -15.248 6.824 1.00 0.00 H new ATOM 0 HA TRP A 80 -4.014 -14.843 7.333 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.342 -14.375 5.141 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.300 -15.830 4.950 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.284 -12.118 4.044 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.187 -11.611 2.366 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.702 -16.614 4.272 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.405 -12.982 1.311 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.717 -16.942 2.896 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.556 -15.149 1.434 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.450 -12.374 7.426 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.797 -10.988 7.716 1.00 0.00 C ATOM 1266 C GLU A 81 -4.255 -10.054 6.637 1.00 0.00 C ATOM 1267 O GLU A 81 -3.107 -10.180 6.212 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.249 -10.577 9.084 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.836 -11.372 10.238 1.00 0.00 C ATOM 1270 CD GLU A 81 -4.896 -10.573 11.526 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -3.883 -10.547 12.255 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -5.956 -9.974 11.804 1.00 0.00 O ATOM 0 H GLU A 81 -3.487 -12.624 7.652 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.884 -10.908 7.729 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.166 -10.699 9.084 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.451 -9.518 9.244 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.840 -11.703 9.973 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.237 -12.269 10.398 1.00 0.00 H new ATOM 1279 N MET A 82 -5.090 -9.117 6.200 1.00 0.00 N ATOM 1280 CA MET A 82 -4.695 -8.162 5.172 1.00 0.00 C ATOM 1281 C MET A 82 -4.580 -6.755 5.752 1.00 0.00 C ATOM 1282 O MET A 82 -5.584 -6.069 5.942 1.00 0.00 O ATOM 1283 CB MET A 82 -5.704 -8.171 4.022 1.00 0.00 C ATOM 1284 CG MET A 82 -5.375 -9.179 2.933 1.00 0.00 C ATOM 1285 SD MET A 82 -6.451 -9.022 1.494 1.00 0.00 S ATOM 1286 CE MET A 82 -5.811 -7.521 0.754 1.00 0.00 C ATOM 0 H MET A 82 -6.044 -8.999 6.542 1.00 0.00 H new ATOM 0 HA MET A 82 -3.718 -8.460 4.791 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.695 -8.389 4.420 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.750 -7.175 3.582 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.338 -9.048 2.623 1.00 0.00 H new ATOM 0 HG3 MET A 82 -5.461 -10.187 3.338 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.541 -6.719 0.868 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.882 -7.239 1.249 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.621 -7.690 -0.306 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.351 -6.334 6.031 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.107 -5.009 6.590 1.00 0.00 C ATOM 1298 C GLU A 83 -2.658 -4.035 5.506 1.00 0.00 C ATOM 1299 O GLU A 83 -1.942 -4.409 4.577 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.049 -5.084 7.694 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.820 -3.763 8.408 1.00 0.00 C ATOM 1302 CD GLU A 83 -1.176 -3.940 9.769 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.027 -4.270 9.819 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.876 -3.748 10.786 1.00 0.00 O ATOM 0 H GLU A 83 -2.509 -6.890 5.880 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.042 -4.645 7.016 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.351 -5.835 8.424 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.107 -5.421 7.261 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.187 -3.126 7.791 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.773 -3.248 8.525 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.084 -2.782 5.630 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.727 -1.752 4.662 1.00 0.00 C ATOM 1313 C VAL A 84 -1.473 -1.001 5.096 1.00 0.00 C ATOM 1314 O VAL A 84 -1.546 -0.049 5.874 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.874 -0.744 4.465 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.500 0.293 3.417 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.157 -1.465 4.080 1.00 0.00 C ATOM 0 H VAL A 84 -3.678 -2.456 6.393 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.534 -2.260 3.717 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.045 -0.226 5.409 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.323 0.997 3.292 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.609 0.831 3.739 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.300 -0.204 2.468 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.957 -0.737 3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -5.002 -2.011 3.149 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.432 -2.164 4.870 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.325 -1.435 4.589 1.00 0.00 N ATOM 1328 CA CYS A 85 0.946 -0.804 4.924 1.00 0.00 C ATOM 1329 C CYS A 85 1.030 0.599 4.331 1.00 0.00 C ATOM 1330 O CYS A 85 0.112 1.051 3.646 1.00 0.00 O ATOM 1331 CB CYS A 85 2.112 -1.655 4.419 1.00 0.00 C ATOM 1332 SG CYS A 85 3.626 -1.487 5.392 1.00 0.00 S ATOM 0 H CYS A 85 -0.248 -2.222 3.944 1.00 0.00 H new ATOM 0 HA CYS A 85 1.008 -0.724 6.009 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.809 -2.702 4.417 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.325 -1.383 3.385 1.00 0.00 H new ATOM 0 HG CYS A 85 4.552 -2.247 4.888 1.00 0.00 H new ATOM 1466 N ASN A 93 0.235 2.875 -2.302 1.00 0.00 N ATOM 1467 CA ASN A 93 -0.263 2.073 -1.191 1.00 0.00 C ATOM 1468 C ASN A 93 0.072 0.598 -1.392 1.00 0.00 C ATOM 1469 O ASN A 93 -0.199 0.027 -2.447 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.776 2.248 -1.046 1.00 0.00 C ATOM 1471 CG ASN A 93 -2.458 0.991 -0.542 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.906 0.930 0.603 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -2.540 -0.021 -1.398 1.00 0.00 N ATOM 0 HA ASN A 93 0.225 2.418 -0.279 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.980 3.069 -0.359 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -2.201 2.527 -2.010 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.988 -0.893 -1.116 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -2.155 0.073 -2.338 1.00 0.00 H new ATOM 1480 N GLY A 94 0.664 -0.014 -0.370 1.00 0.00 N ATOM 1481 CA GLY A 94 1.027 -1.416 -0.454 1.00 0.00 C ATOM 1482 C GLY A 94 0.087 -2.306 0.335 1.00 0.00 C ATOM 1483 O GLY A 94 -0.731 -1.819 1.116 1.00 0.00 O ATOM 0 H GLY A 94 0.898 0.437 0.514 1.00 0.00 H new ATOM 0 HA2 GLY A 94 1.025 -1.727 -1.499 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.044 -1.548 -0.084 1.00 0.00 H new ATOM 1487 N VAL A 95 0.203 -3.615 0.131 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.644 -4.575 0.830 1.00 0.00 C ATOM 1489 C VAL A 95 0.112 -5.868 1.114 1.00 0.00 C ATOM 1490 O VAL A 95 0.397 -6.645 0.203 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.911 -4.901 0.018 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.856 -5.774 0.830 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.603 -3.621 -0.426 1.00 0.00 C ATOM 0 H VAL A 95 0.875 -4.034 -0.512 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.936 -4.113 1.773 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.618 -5.456 -0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.746 -5.994 0.240 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.355 -6.706 1.093 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.145 -5.248 1.740 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.496 -3.870 -0.999 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.885 -3.037 0.450 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.924 -3.037 -1.048 1.00 0.00 H new ATOM 1503 N ARG A 96 0.433 -6.092 2.384 1.00 0.00 N ATOM 1504 CA ARG A 96 1.156 -7.292 2.789 1.00 0.00 C ATOM 1505 C ARG A 96 0.190 -8.439 3.074 1.00 0.00 C ATOM 1506 O ARG A 96 -0.947 -8.218 3.491 1.00 0.00 O ATOM 1507 CB ARG A 96 2.005 -7.007 4.029 1.00 0.00 C ATOM 1508 CG ARG A 96 2.953 -8.138 4.392 1.00 0.00 C ATOM 1509 CD ARG A 96 3.847 -7.763 5.563 1.00 0.00 C ATOM 1510 NE ARG A 96 4.613 -8.904 6.055 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.096 -8.988 7.290 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.894 -8.002 8.152 1.00 0.00 N ATOM 1513 NH2 ARG A 96 5.784 -10.060 7.663 1.00 0.00 N ATOM 0 H ARG A 96 0.204 -5.459 3.150 1.00 0.00 H new ATOM 0 HA ARG A 96 1.810 -7.586 1.968 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.584 -6.099 3.861 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.345 -6.813 4.874 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.378 -9.029 4.643 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.569 -8.389 3.528 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.532 -6.972 5.257 1.00 0.00 H new ATOM 0 HD3 ARG A 96 3.236 -7.361 6.371 1.00 0.00 H new ATOM 0 HE ARG A 96 4.787 -9.679 5.416 1.00 0.00 H new ATOM 0 HH11 ARG A 96 4.367 -7.176 7.868 1.00 0.00 H new ATOM 0 HH12 ARG A 96 5.266 -8.069 9.100 1.00 0.00 H new ATOM 0 HH21 ARG A 96 5.942 -10.820 7.001 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.154 -10.124 8.611 1.00 0.00 H new ATOM 1527 N PHE A 97 0.651 -9.664 2.844 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.171 -10.846 3.073 1.00 0.00 C ATOM 1529 C PHE A 97 0.520 -11.812 4.031 1.00 0.00 C ATOM 1530 O PHE A 97 1.575 -12.364 3.720 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.471 -11.550 1.748 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.645 -10.971 1.013 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.607 -9.672 0.534 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.788 -11.726 0.802 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.686 -9.135 -0.143 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.870 -11.195 0.126 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.819 -9.898 -0.347 1.00 0.00 C ATOM 0 H PHE A 97 1.590 -9.864 2.499 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.109 -10.523 3.525 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.410 -11.495 1.109 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.659 -12.606 1.942 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.723 -9.071 0.691 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.834 -12.740 1.170 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.643 -8.121 -0.512 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.755 -11.794 -0.032 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.664 -9.481 -0.875 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.083 -12.010 5.199 1.00 0.00 N ATOM 1548 CA LYS A 98 0.472 -12.909 6.204 1.00 0.00 C ATOM 1549 C LYS A 98 -0.427 -14.125 6.401 1.00 0.00 C ATOM 1550 O LYS A 98 -1.649 -13.999 6.485 1.00 0.00 O ATOM 1551 CB LYS A 98 0.651 -12.173 7.533 1.00 0.00 C ATOM 1552 CG LYS A 98 1.041 -13.083 8.685 1.00 0.00 C ATOM 1553 CD LYS A 98 1.239 -12.300 9.972 1.00 0.00 C ATOM 1554 CE LYS A 98 -0.083 -12.053 10.683 1.00 0.00 C ATOM 1555 NZ LYS A 98 -0.698 -10.759 10.276 1.00 0.00 N ATOM 0 H LYS A 98 -0.956 -11.560 5.473 1.00 0.00 H new ATOM 0 HA LYS A 98 1.445 -13.252 5.852 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.415 -11.405 7.413 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.278 -11.662 7.784 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.268 -13.837 8.832 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.960 -13.613 8.436 1.00 0.00 H new ATOM 0 HD2 LYS A 98 1.912 -12.847 10.632 1.00 0.00 H new ATOM 0 HD3 LYS A 98 1.717 -11.346 9.749 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -0.772 -12.868 10.462 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.078 -12.055 11.761 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.364 -10.445 11.011 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 0.047 -10.044 10.155 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.207 -10.884 9.378 1.00 0.00 H new ATOM 1569 N ARG A 99 0.186 -15.302 6.476 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.560 -16.541 6.665 1.00 0.00 C ATOM 1571 C ARG A 99 -0.640 -16.908 8.144 1.00 0.00 C ATOM 1572 O ARG A 99 0.373 -16.924 8.845 1.00 0.00 O ATOM 1573 CB ARG A 99 0.095 -17.680 5.880 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.727 -18.958 5.861 1.00 0.00 C ATOM 1575 CD ARG A 99 -0.393 -19.817 4.652 1.00 0.00 C ATOM 1576 NE ARG A 99 0.777 -20.660 4.886 1.00 0.00 N ATOM 1577 CZ ARG A 99 0.751 -21.767 5.620 1.00 0.00 C ATOM 1578 NH1 ARG A 99 -0.380 -22.163 6.188 1.00 0.00 N ATOM 1579 NH2 ARG A 99 1.857 -22.480 5.786 1.00 0.00 N ATOM 0 H ARG A 99 1.196 -15.424 6.409 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.572 -16.387 6.292 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.265 -17.352 4.854 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.072 -17.893 6.313 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.542 -19.525 6.774 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.788 -18.709 5.850 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -1.249 -20.445 4.406 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -0.211 -19.175 3.790 1.00 0.00 H new ATOM 0 HE ARG A 99 1.663 -20.383 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -1.232 -21.617 6.062 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.397 -23.013 6.751 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.728 -22.178 5.350 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.836 -23.330 6.350 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.848 -17.202 8.611 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.059 -17.569 10.005 1.00 0.00 C ATOM 1595 C ILE A 100 -2.075 -19.084 10.179 1.00 0.00 C ATOM 1596 O ILE A 100 -1.272 -19.642 10.927 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.379 -16.988 10.547 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.300 -15.462 10.616 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.691 -17.570 11.917 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -4.510 -14.822 11.259 1.00 0.00 C ATOM 0 H ILE A 100 -2.696 -17.193 8.044 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.227 -17.149 10.570 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.185 -17.261 9.866 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.409 -15.178 11.175 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -3.183 -15.066 9.607 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.626 -17.150 12.286 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.785 -18.653 11.839 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.885 -17.325 12.609 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -4.384 -13.739 11.274 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -5.403 -15.076 10.688 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.616 -15.189 12.280 1.00 0.00 H new ATOM 1612 N SER A 101 -2.992 -19.745 9.480 1.00 0.00 N ATOM 1613 CA SER A 101 -3.114 -21.196 9.558 1.00 0.00 C ATOM 1614 C SER A 101 -3.723 -21.759 8.277 1.00 0.00 C ATOM 1615 O SER A 101 -4.487 -21.084 7.590 1.00 0.00 O ATOM 1616 CB SER A 101 -3.971 -21.593 10.761 1.00 0.00 C ATOM 1617 OG SER A 101 -3.229 -21.507 11.966 1.00 0.00 O ATOM 0 H SER A 101 -3.662 -19.299 8.853 1.00 0.00 H new ATOM 0 HA SER A 101 -2.115 -21.614 9.679 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.844 -20.943 10.820 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.340 -22.610 10.629 1.00 0.00 H new ATOM 0 HG SER A 101 -2.429 -20.960 11.819 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.377 -23.004 7.963 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.897 -23.639 6.766 1.00 0.00 C ATOM 1625 C GLY A 102 -2.800 -24.198 5.882 1.00 0.00 C ATOM 1626 O GLY A 102 -1.796 -24.713 6.376 1.00 0.00 O ATOM 0 H GLY A 102 -2.746 -23.584 8.516 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.575 -24.444 7.051 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.482 -22.915 6.199 1.00 0.00 H new ATOM 1630 N THR A 103 -2.991 -24.100 4.570 1.00 0.00 N ATOM 1631 CA THR A 103 -2.011 -24.603 3.616 1.00 0.00 C ATOM 1632 C THR A 103 -1.615 -23.524 2.614 1.00 0.00 C ATOM 1633 O THR A 103 -2.473 -22.866 2.025 1.00 0.00 O ATOM 1634 CB THR A 103 -2.549 -25.826 2.850 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.843 -25.535 2.310 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.635 -27.041 3.761 1.00 0.00 C ATOM 0 H THR A 103 -3.816 -23.677 4.144 1.00 0.00 H new ATOM 0 HA THR A 103 -1.134 -24.901 4.191 1.00 0.00 H new ATOM 0 HB THR A 103 -1.859 -26.050 2.037 1.00 0.00 H new ATOM 0 HG1 THR A 103 -3.904 -24.579 2.104 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.018 -27.892 3.197 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.643 -27.277 4.147 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.306 -26.825 4.593 1.00 0.00 H new ATOM 1644 N SER A 104 -0.311 -23.348 2.425 1.00 0.00 N ATOM 1645 CA SER A 104 0.198 -22.346 1.496 1.00 0.00 C ATOM 1646 C SER A 104 -0.493 -22.461 0.140 1.00 0.00 C ATOM 1647 O SER A 104 -0.841 -21.455 -0.478 1.00 0.00 O ATOM 1648 CB SER A 104 1.710 -22.501 1.325 1.00 0.00 C ATOM 1649 OG SER A 104 2.185 -21.713 0.247 1.00 0.00 O ATOM 0 H SER A 104 0.412 -23.886 2.903 1.00 0.00 H new ATOM 0 HA SER A 104 -0.015 -21.361 1.910 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.215 -22.207 2.245 1.00 0.00 H new ATOM 0 HB3 SER A 104 1.954 -23.549 1.149 1.00 0.00 H new ATOM 0 HG SER A 104 3.154 -21.828 0.160 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.688 -23.695 -0.314 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.337 -23.942 -1.596 1.00 0.00 C ATOM 1657 C ILE A 105 -2.540 -23.024 -1.788 1.00 0.00 C ATOM 1658 O ILE A 105 -2.546 -22.170 -2.674 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.798 -25.406 -1.720 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.594 -26.349 -1.670 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.582 -25.607 -3.008 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.378 -26.148 -2.811 1.00 0.00 C ATOM 0 H ILE A 105 -0.406 -24.538 0.186 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.598 -23.736 -2.370 1.00 0.00 H new ATOM 0 HB ILE A 105 -2.452 -25.638 -0.879 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -0.069 -26.205 -0.726 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.949 -27.380 -1.683 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.901 -26.647 -3.081 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.458 -24.958 -3.006 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.950 -25.360 -3.861 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.206 -26.850 -2.711 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.132 -26.321 -3.758 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.762 -25.128 -2.787 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.556 -23.206 -0.952 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.763 -22.392 -1.028 1.00 0.00 C ATOM 1676 C ALA A 106 -4.465 -20.935 -0.689 1.00 0.00 C ATOM 1677 O ALA A 106 -5.187 -20.030 -1.106 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.831 -22.944 -0.096 1.00 0.00 C ATOM 0 H ALA A 106 -3.568 -23.910 -0.214 1.00 0.00 H new ATOM 0 HA ALA A 106 -5.134 -22.431 -2.052 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.727 -22.327 -0.163 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -6.073 -23.967 -0.385 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -5.460 -22.935 0.929 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.396 -20.716 0.070 1.00 0.00 N ATOM 1685 CA PHE A 107 -3.003 -19.369 0.467 1.00 0.00 C ATOM 1686 C PHE A 107 -2.591 -18.543 -0.748 1.00 0.00 C ATOM 1687 O PHE A 107 -3.050 -17.416 -0.933 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.853 -19.426 1.474 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.486 -18.084 2.041 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -2.161 -17.574 3.139 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.468 -17.333 1.477 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.826 -16.340 3.664 1.00 0.00 C ATOM 1693 CE2 PHE A 107 -0.128 -16.099 1.998 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.809 -15.601 3.092 1.00 0.00 C ATOM 0 H PHE A 107 -2.787 -21.454 0.422 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.862 -18.890 0.936 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -2.128 -20.094 2.290 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.978 -19.859 0.990 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.958 -18.147 3.589 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.066 -17.716 0.620 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.359 -15.954 4.520 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.669 -15.524 1.550 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.547 -14.636 3.499 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.720 -19.112 -1.575 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.244 -18.432 -2.773 1.00 0.00 C ATOM 1706 C LYS A 108 -2.296 -18.474 -3.877 1.00 0.00 C ATOM 1707 O LYS A 108 -2.622 -17.450 -4.476 1.00 0.00 O ATOM 1708 CB LYS A 108 0.055 -19.073 -3.267 1.00 0.00 C ATOM 1709 CG LYS A 108 1.286 -18.622 -2.499 1.00 0.00 C ATOM 1710 CD LYS A 108 2.359 -19.698 -2.486 1.00 0.00 C ATOM 1711 CE LYS A 108 3.025 -19.837 -3.847 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.425 -20.331 -3.731 1.00 0.00 N ATOM 0 H LYS A 108 -1.329 -20.044 -1.437 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.053 -17.390 -2.517 1.00 0.00 H new ATOM 0 HB2 LYS A 108 -0.033 -20.157 -3.192 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.189 -18.836 -4.323 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.685 -17.714 -2.950 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.007 -18.373 -1.475 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.111 -19.455 -1.735 1.00 0.00 H new ATOM 0 HD3 LYS A 108 1.916 -20.651 -2.197 1.00 0.00 H new ATOM 0 HE2 LYS A 108 2.447 -20.524 -4.466 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.021 -18.872 -4.354 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.844 -20.412 -4.679 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 4.983 -19.663 -3.162 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.427 -21.264 -3.271 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.825 -19.665 -4.139 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.841 -19.840 -5.170 1.00 0.00 C ATOM 1728 C ASN A 109 -4.920 -18.767 -5.059 1.00 0.00 C ATOM 1729 O ASN A 109 -5.290 -18.139 -6.051 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.474 -21.228 -5.061 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.580 -22.317 -5.621 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.254 -22.320 -6.808 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -3.178 -23.251 -4.766 1.00 0.00 N ATOM 0 H ASN A 109 -2.567 -20.523 -3.651 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.357 -19.744 -6.142 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.693 -21.443 -4.015 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.425 -21.233 -5.593 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.575 -24.009 -5.085 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.472 -23.210 -3.790 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.419 -18.561 -3.844 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.453 -17.563 -3.603 1.00 0.00 C ATOM 1742 C ILE A 110 -5.874 -16.152 -3.636 1.00 0.00 C ATOM 1743 O ILE A 110 -6.558 -15.198 -4.007 1.00 0.00 O ATOM 1744 CB ILE A 110 -7.148 -17.788 -2.247 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.427 -16.954 -2.160 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.205 -17.443 -1.105 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.505 -17.397 -3.125 1.00 0.00 C ATOM 0 H ILE A 110 -5.124 -19.072 -3.012 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.187 -17.671 -4.401 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.418 -18.841 -2.164 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.817 -17.007 -1.143 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -8.184 -15.909 -2.354 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.711 -17.607 -0.153 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.320 -18.077 -1.160 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.907 -16.397 -1.182 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.382 -16.761 -3.007 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.134 -17.318 -4.147 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.777 -18.432 -2.917 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.609 -16.028 -3.248 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.937 -14.735 -3.237 1.00 0.00 C ATOM 1761 C ALA A 111 -3.880 -14.134 -4.637 1.00 0.00 C ATOM 1762 O ALA A 111 -4.054 -12.928 -4.813 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.534 -14.875 -2.663 1.00 0.00 C ATOM 0 H ALA A 111 -4.029 -16.807 -2.937 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.512 -14.060 -2.603 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -2.043 -13.902 -2.661 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.594 -15.254 -1.643 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.958 -15.570 -3.274 1.00 0.00 H new ATOM 1769 N SER A 112 -3.634 -14.982 -5.631 1.00 0.00 N ATOM 1770 CA SER A 112 -3.549 -14.533 -7.016 1.00 0.00 C ATOM 1771 C SER A 112 -4.843 -13.847 -7.444 1.00 0.00 C ATOM 1772 O SER A 112 -4.821 -12.854 -8.172 1.00 0.00 O ATOM 1773 CB SER A 112 -3.256 -15.716 -7.941 1.00 0.00 C ATOM 1774 OG SER A 112 -3.440 -15.359 -9.299 1.00 0.00 O ATOM 0 H SER A 112 -3.490 -15.984 -5.503 1.00 0.00 H new ATOM 0 HA SER A 112 -2.734 -13.813 -7.090 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.232 -16.057 -7.787 1.00 0.00 H new ATOM 0 HB3 SER A 112 -3.911 -16.550 -7.689 1.00 0.00 H new ATOM 0 HG SER A 112 -3.245 -16.132 -9.870 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.969 -14.384 -6.988 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.274 -13.824 -7.321 1.00 0.00 C ATOM 1782 C LYS A 113 -7.476 -12.473 -6.643 1.00 0.00 C ATOM 1783 O LYS A 113 -7.713 -11.464 -7.308 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.387 -14.788 -6.903 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.757 -15.793 -7.980 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.781 -16.957 -8.016 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.142 -18.019 -6.988 1.00 0.00 C ATOM 1788 NZ LYS A 113 -9.357 -18.784 -7.384 1.00 0.00 N ATOM 0 H LYS A 113 -6.005 -15.207 -6.386 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.314 -13.678 -8.400 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.073 -15.326 -6.008 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.273 -14.213 -6.635 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.765 -16.167 -7.799 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.771 -15.298 -8.951 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -7.777 -17.400 -9.012 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -6.771 -16.593 -7.825 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.304 -18.706 -6.866 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.310 -17.546 -6.021 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -9.408 -19.664 -6.832 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.204 -18.210 -7.200 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.308 -19.013 -8.397 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.379 -12.461 -5.318 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.549 -11.233 -4.551 1.00 0.00 C ATOM 1804 C ILE A 114 -6.755 -10.086 -5.167 1.00 0.00 C ATOM 1805 O ILE A 114 -7.308 -9.032 -5.479 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.110 -11.418 -3.087 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.890 -12.564 -2.438 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.308 -10.127 -2.307 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.361 -12.265 -2.255 1.00 0.00 C ATOM 0 H ILE A 114 -7.184 -13.288 -4.753 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.611 -10.991 -4.575 1.00 0.00 H new ATOM 0 HB ILE A 114 -6.050 -11.670 -3.071 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.783 -13.459 -3.051 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.449 -12.788 -1.467 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.993 -10.274 -1.274 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.712 -9.334 -2.759 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.361 -9.847 -2.329 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.851 -13.120 -1.790 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.478 -11.389 -1.617 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.816 -12.070 -3.226 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.455 -10.301 -5.342 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.585 -9.287 -5.924 1.00 0.00 C ATOM 1823 C ALA A 115 -5.138 -8.788 -7.255 1.00 0.00 C ATOM 1824 O ALA A 115 -5.454 -7.608 -7.404 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.180 -9.839 -6.108 1.00 0.00 C ATOM 0 H ALA A 115 -4.982 -11.168 -5.089 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.544 -8.442 -5.237 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.541 -9.071 -6.544 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.778 -10.140 -5.141 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.213 -10.703 -6.772 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.251 -9.694 -8.221 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.765 -9.345 -9.540 1.00 0.00 C ATOM 1833 C ASN A 116 -6.994 -8.449 -9.426 1.00 0.00 C ATOM 1834 O ASN A 116 -7.104 -7.439 -10.120 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.115 -10.611 -10.325 1.00 0.00 C ATOM 1836 CG ASN A 116 -4.909 -11.210 -11.023 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.198 -10.523 -11.757 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.674 -12.497 -10.797 1.00 0.00 N ATOM 0 H ASN A 116 -4.993 -10.675 -8.115 1.00 0.00 H new ATOM 0 HA ASN A 116 -4.987 -8.798 -10.072 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.543 -11.349 -9.647 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.880 -10.377 -11.065 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.877 -12.955 -11.239 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.290 -13.027 -10.181 1.00 0.00 H new ATOM 1845 N GLU A 117 -7.915 -8.826 -8.544 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.136 -8.055 -8.340 1.00 0.00 C ATOM 1847 C GLU A 117 -8.818 -6.668 -7.787 1.00 0.00 C ATOM 1848 O GLU A 117 -9.465 -5.683 -8.143 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.077 -8.793 -7.385 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.556 -10.133 -7.917 1.00 0.00 C ATOM 1851 CD GLU A 117 -10.891 -10.088 -9.395 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.602 -9.151 -9.815 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.440 -10.990 -10.132 1.00 0.00 O ATOM 0 H GLU A 117 -7.839 -9.659 -7.960 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.627 -7.938 -9.306 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.567 -8.950 -6.435 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -10.942 -8.162 -7.181 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.785 -10.884 -7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.437 -10.448 -7.358 1.00 0.00 H new ATOM 1860 N LEU A 118 -7.818 -6.600 -6.916 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.414 -5.335 -6.313 1.00 0.00 C ATOM 1862 C LEU A 118 -6.414 -4.603 -7.203 1.00 0.00 C ATOM 1863 O LEU A 118 -5.593 -3.822 -6.721 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.802 -5.578 -4.932 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.793 -5.762 -3.782 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.209 -6.677 -2.716 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.171 -4.416 -3.183 1.00 0.00 C ATOM 0 H LEU A 118 -7.272 -7.406 -6.611 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.302 -4.712 -6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.171 -6.465 -4.987 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.150 -4.738 -4.693 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.696 -6.228 -4.177 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -7.928 -6.797 -1.905 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -6.990 -7.651 -3.153 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.290 -6.240 -2.325 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.877 -4.567 -2.366 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.276 -3.923 -2.803 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.631 -3.793 -3.950 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.491 -4.859 -8.504 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.596 -4.222 -9.463 1.00 0.00 C ATOM 1881 C LYS A 119 -4.167 -4.180 -8.930 1.00 0.00 C ATOM 1882 O LYS A 119 -3.457 -3.190 -9.106 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.076 -2.803 -9.776 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.446 -2.755 -10.432 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.403 -3.294 -11.852 1.00 0.00 C ATOM 1886 CE LYS A 119 -8.774 -3.243 -12.508 1.00 0.00 C ATOM 1887 NZ LYS A 119 -9.581 -4.458 -12.205 1.00 0.00 N ATOM 0 H LYS A 119 -7.164 -5.503 -8.919 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.606 -4.813 -10.379 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.105 -2.226 -8.852 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.351 -2.320 -10.431 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.154 -3.337 -9.842 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -7.810 -1.727 -10.443 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.694 -2.713 -12.442 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.041 -4.322 -11.841 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -9.308 -2.357 -12.164 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -8.657 -3.145 -13.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -10.508 -4.384 -12.670 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -9.084 -5.301 -12.556 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -9.715 -4.538 -11.177 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.752 -5.261 -8.279 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.407 -5.349 -7.721 1.00 0.00 C ATOM 1903 C LEU A 120 -1.467 -6.074 -8.678 1.00 0.00 C ATOM 1904 O LEU A 120 -1.910 -6.774 -9.589 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.438 -6.071 -6.373 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.333 -5.451 -5.300 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.417 -6.360 -4.084 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -2.817 -4.075 -4.905 1.00 0.00 C ATOM 0 H LEU A 120 -4.327 -6.089 -8.124 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.035 -4.335 -7.574 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.764 -7.098 -6.541 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.420 -6.119 -5.986 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.336 -5.337 -5.712 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.058 -5.902 -3.331 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.834 -7.323 -4.378 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.419 -6.507 -3.670 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -3.466 -3.649 -4.140 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -1.804 -4.165 -4.512 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -2.810 -3.424 -5.779 1.00 0.00 H new ATOM 1920 N SER A 121 -0.166 -5.905 -8.464 1.00 0.00 N ATOM 1921 CA SER A 121 0.837 -6.542 -9.308 1.00 0.00 C ATOM 1922 C SER A 121 0.404 -7.952 -9.697 1.00 0.00 C ATOM 1923 O SER A 121 0.210 -8.252 -10.874 1.00 0.00 O ATOM 1924 CB SER A 121 2.185 -6.592 -8.586 1.00 0.00 C ATOM 1925 OG SER A 121 2.878 -5.362 -8.715 1.00 0.00 O ATOM 0 H SER A 121 0.218 -5.332 -7.713 1.00 0.00 H new ATOM 0 HA SER A 121 0.941 -5.949 -10.216 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.028 -6.816 -7.531 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.791 -7.400 -8.996 1.00 0.00 H new ATOM 0 HG SER A 121 3.808 -5.479 -8.430 1.00 0.00 H new ATOM 1931 N GLY A 122 0.254 -8.816 -8.697 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.156 -10.184 -8.953 1.00 0.00 C ATOM 1933 C GLY A 122 0.994 -11.056 -9.416 1.00 0.00 C ATOM 1934 O GLY A 122 1.042 -11.501 -10.563 1.00 0.00 O ATOM 0 H GLY A 122 0.409 -8.592 -7.714 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.586 -10.607 -8.045 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.940 -10.190 -9.710 1.00 0.00 H new ATOM 1938 N PRO A 123 1.950 -11.312 -8.510 1.00 0.00 N ATOM 1939 CA PRO A 123 3.124 -12.137 -8.809 1.00 0.00 C ATOM 1940 C PRO A 123 2.767 -13.608 -8.992 1.00 0.00 C ATOM 1941 O PRO A 123 2.130 -14.214 -8.129 1.00 0.00 O ATOM 1942 CB PRO A 123 4.012 -11.951 -7.577 1.00 0.00 C ATOM 1943 CG PRO A 123 3.068 -11.598 -6.480 1.00 0.00 C ATOM 1944 CD PRO A 123 1.958 -10.814 -7.124 1.00 0.00 C ATOM 0 HA PRO A 123 3.602 -11.842 -9.743 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.565 -12.862 -7.346 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.748 -11.163 -7.735 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.682 -12.494 -5.994 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.567 -11.008 -5.711 1.00 0.00 H new ATOM 0 HD2 PRO A 123 1.003 -10.988 -6.629 1.00 0.00 H new ATOM 0 HD3 PRO A 123 2.147 -9.741 -7.083 1.00 0.00 H new