USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=21 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 112 SER OG : rot 180:sc= 0 USER MOD Set 1.2: A 116 ASN : amide:sc= -0.0488 X(o=-0.049,f=-0.43) USER MOD Set 2.1: A 79 GLN : amide:sc= -0.672 K(o=-1.3,f=-1.9) USER MOD Set 2.2: A 101 SER OG : rot 150:sc= -0.677 USER MOD Set 3.1: A 55 CYS SG : rot 22:sc= 1.3 USER MOD Set 3.2: A 69 HIS :FLIP no HE2:sc= -0.166 F(o=0.15,f=1.1) USER MOD Single : A 29 ASN : amide:sc= 0 X(o=0,f=0.31) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 USER MOD Single : A 33 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot 143:sc= 0.335 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot 110:sc= 0.742 USER MOD Single : A 42 MET CE :methyl 138:sc= -1.07 (180deg=-4.11!) USER MOD Single : A 43 MET CE :methyl -171:sc= -3.87! (180deg=-4.12!) 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 59 GLN : amide:sc= 0.568 K(o=0.57,f=-0.71) USER MOD Single : A 67 CYS SG : rot -145:sc= -2.45 USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 76 ASN :FLIP amide:sc= -0.918 F(o=-5.8!,f=-0.92) USER MOD Single : A 82 MET CE :methyl -157:sc= -4.23! (180deg=-5.85!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.341 X(o=-0.34,f=-0.054) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 USER MOD Single : A 104 SER OG : rot 180:sc= 0.0806 USER MOD Single : A 108 LYS NZ :NH3+ -150:sc= -2.03 (180deg=-3.97!) USER MOD Single : A 109 ASN : amide:sc= 0.335 X(o=0.34,f=-0.13) USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 119 LYS NZ :NH3+ -164:sc= -0.0174 (180deg=-0.163) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.026 -14.856 2.892 1.00 0.00 N ATOM 458 CA ASN A 29 4.454 -13.514 2.869 1.00 0.00 C ATOM 459 C ASN A 29 4.388 -12.975 1.444 1.00 0.00 C ATOM 460 O ASN A 29 5.412 -12.830 0.775 1.00 0.00 O ATOM 461 CB ASN A 29 5.281 -12.571 3.746 1.00 0.00 C ATOM 462 CG ASN A 29 5.099 -12.848 5.225 1.00 0.00 C ATOM 463 OD1 ASN A 29 4.246 -12.249 5.881 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.903 -13.760 5.759 1.00 0.00 N ATOM 0 HA ASN A 29 3.439 -13.571 3.263 1.00 0.00 H new ATOM 0 HB2 ASN A 29 6.335 -12.670 3.488 1.00 0.00 H new ATOM 0 HB3 ASN A 29 4.997 -11.540 3.535 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.828 -13.989 6.750 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.596 -14.232 5.178 1.00 0.00 H new ATOM 471 N LEU A 30 3.177 -12.680 0.985 1.00 0.00 N ATOM 472 CA LEU A 30 2.976 -12.155 -0.361 1.00 0.00 C ATOM 473 C LEU A 30 2.788 -10.642 -0.334 1.00 0.00 C ATOM 474 O LEU A 30 2.018 -10.116 0.469 1.00 0.00 O ATOM 475 CB LEU A 30 1.761 -12.820 -1.012 1.00 0.00 C ATOM 476 CG LEU A 30 1.909 -14.303 -1.352 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.578 -14.882 -1.806 1.00 0.00 C ATOM 478 CD2 LEU A 30 2.972 -14.502 -2.421 1.00 0.00 C ATOM 0 H LEU A 30 2.319 -12.795 1.525 1.00 0.00 H new ATOM 0 HA LEU A 30 3.866 -12.381 -0.949 1.00 0.00 H new ATOM 0 HB2 LEU A 30 0.907 -12.704 -0.344 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.524 -12.280 -1.928 1.00 0.00 H new ATOM 0 HG LEU A 30 2.224 -14.832 -0.453 1.00 0.00 H new ATOM 0 HD11 LEU A 30 0.703 -15.938 -2.044 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -0.157 -14.774 -1.008 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.233 -14.349 -2.692 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.063 -15.564 -2.650 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.687 -13.959 -3.323 1.00 0.00 H new ATOM 0 HD23 LEU A 30 3.928 -14.126 -2.058 1.00 0.00 H new ATOM 490 N TYR A 31 3.496 -9.948 -1.218 1.00 0.00 N ATOM 491 CA TYR A 31 3.408 -8.494 -1.295 1.00 0.00 C ATOM 492 C TYR A 31 2.745 -8.057 -2.598 1.00 0.00 C ATOM 493 O TYR A 31 3.113 -8.515 -3.680 1.00 0.00 O ATOM 494 CB TYR A 31 4.800 -7.871 -1.184 1.00 0.00 C ATOM 495 CG TYR A 31 5.642 -8.463 -0.076 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.414 -8.124 1.252 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.665 -9.359 -0.357 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.181 -8.661 2.268 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.436 -9.903 0.652 1.00 0.00 C ATOM 500 CZ TYR A 31 7.190 -9.550 1.963 1.00 0.00 C ATOM 501 OH TYR A 31 7.957 -10.088 2.971 1.00 0.00 O ATOM 0 H TYR A 31 4.137 -10.368 -1.891 1.00 0.00 H new ATOM 0 HA TYR A 31 2.795 -8.148 -0.463 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.322 -7.997 -2.133 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.697 -6.799 -1.017 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.624 -7.429 1.494 1.00 0.00 H new ATOM 0 HD2 TYR A 31 6.861 -9.635 -1.382 1.00 0.00 H new ATOM 0 HE1 TYR A 31 5.991 -8.386 3.295 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.226 -10.600 0.416 1.00 0.00 H new ATOM 0 HH TYR A 31 8.622 -10.696 2.587 1.00 0.00 H new ATOM 511 N PHE A 32 1.764 -7.167 -2.485 1.00 0.00 N ATOM 512 CA PHE A 32 1.048 -6.667 -3.653 1.00 0.00 C ATOM 513 C PHE A 32 0.995 -5.142 -3.647 1.00 0.00 C ATOM 514 O PHE A 32 1.199 -4.509 -2.611 1.00 0.00 O ATOM 515 CB PHE A 32 -0.371 -7.238 -3.691 1.00 0.00 C ATOM 516 CG PHE A 32 -0.423 -8.728 -3.513 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.439 -9.288 -2.245 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.455 -9.570 -4.613 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.487 -10.659 -2.078 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.503 -10.941 -4.452 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.518 -11.487 -3.183 1.00 0.00 C ATOM 0 H PHE A 32 1.447 -6.778 -1.597 1.00 0.00 H new ATOM 0 HA PHE A 32 1.586 -6.991 -4.544 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.965 -6.766 -2.908 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.833 -6.978 -4.643 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.414 -8.645 -1.377 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.442 -9.149 -5.608 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.500 -11.082 -1.085 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.529 -11.586 -5.318 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.554 -12.559 -3.055 1.00 0.00 H new ATOM 531 N GLN A 33 0.721 -4.560 -4.810 1.00 0.00 N ATOM 532 CA GLN A 33 0.643 -3.110 -4.938 1.00 0.00 C ATOM 533 C GLN A 33 -0.522 -2.705 -5.836 1.00 0.00 C ATOM 534 O GLN A 33 -0.734 -3.292 -6.897 1.00 0.00 O ATOM 535 CB GLN A 33 1.952 -2.556 -5.501 1.00 0.00 C ATOM 536 CG GLN A 33 1.995 -2.519 -7.020 1.00 0.00 C ATOM 537 CD GLN A 33 1.454 -1.221 -7.588 1.00 0.00 C ATOM 538 OE1 GLN A 33 0.564 -1.226 -8.439 1.00 0.00 O ATOM 539 NE2 GLN A 33 1.990 -0.101 -7.119 1.00 0.00 N ATOM 0 H GLN A 33 0.549 -5.070 -5.676 1.00 0.00 H new ATOM 0 HA GLN A 33 0.476 -2.691 -3.946 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.105 -1.547 -5.117 1.00 0.00 H new ATOM 0 HB3 GLN A 33 2.780 -3.164 -5.137 1.00 0.00 H new ATOM 0 HG2 GLN A 33 3.023 -2.657 -7.354 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.417 -3.354 -7.416 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.726 -0.144 -6.414 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.666 0.803 -7.464 1.00 0.00 H new ATOM 548 N GLY A 34 -1.275 -1.699 -5.403 1.00 0.00 N ATOM 549 CA GLY A 34 -2.409 -1.233 -6.179 1.00 0.00 C ATOM 550 C GLY A 34 -3.409 -0.462 -5.340 1.00 0.00 C ATOM 551 O GLY A 34 -4.597 -0.783 -5.327 1.00 0.00 O ATOM 0 H GLY A 34 -1.120 -1.198 -4.528 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -2.054 -0.597 -6.990 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.907 -2.087 -6.638 1.00 0.00 H new ATOM 555 N SER A 35 -2.927 0.558 -4.637 1.00 0.00 N ATOM 556 CA SER A 35 -3.785 1.374 -3.787 1.00 0.00 C ATOM 557 C SER A 35 -4.749 2.206 -4.628 1.00 0.00 C ATOM 558 O SER A 35 -4.486 2.490 -5.796 1.00 0.00 O ATOM 559 CB SER A 35 -2.939 2.292 -2.903 1.00 0.00 C ATOM 560 OG SER A 35 -3.755 3.043 -2.020 1.00 0.00 O ATOM 0 H SER A 35 -1.946 0.839 -4.640 1.00 0.00 H new ATOM 0 HA SER A 35 -4.367 0.706 -3.152 1.00 0.00 H new ATOM 0 HB2 SER A 35 -2.229 1.696 -2.329 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.356 2.968 -3.528 1.00 0.00 H new ATOM 0 HG SER A 35 -3.191 3.621 -1.465 1.00 0.00 H new ATOM 566 N SER A 36 -5.868 2.594 -4.024 1.00 0.00 N ATOM 567 CA SER A 36 -6.874 3.390 -4.716 1.00 0.00 C ATOM 568 C SER A 36 -6.892 4.822 -4.188 1.00 0.00 C ATOM 569 O SER A 36 -7.944 5.457 -4.119 1.00 0.00 O ATOM 570 CB SER A 36 -8.257 2.757 -4.553 1.00 0.00 C ATOM 571 OG SER A 36 -9.128 3.157 -5.598 1.00 0.00 O ATOM 0 H SER A 36 -6.100 2.370 -3.056 1.00 0.00 H new ATOM 0 HA SER A 36 -6.616 3.415 -5.775 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.165 1.671 -4.548 1.00 0.00 H new ATOM 0 HB3 SER A 36 -8.681 3.045 -3.591 1.00 0.00 H new ATOM 0 HG SER A 36 -9.700 2.403 -5.854 1.00 0.00 H new ATOM 577 N GLY A 37 -5.718 5.324 -3.816 1.00 0.00 N ATOM 578 CA GLY A 37 -5.620 6.676 -3.299 1.00 0.00 C ATOM 579 C GLY A 37 -5.279 6.708 -1.823 1.00 0.00 C ATOM 580 O GLY A 37 -4.121 6.896 -1.450 1.00 0.00 O ATOM 0 H GLY A 37 -4.834 4.818 -3.864 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -4.858 7.221 -3.857 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -6.565 7.194 -3.462 1.00 0.00 H new ATOM 584 N SER A 38 -6.290 6.527 -0.979 1.00 0.00 N ATOM 585 CA SER A 38 -6.092 6.542 0.466 1.00 0.00 C ATOM 586 C SER A 38 -6.186 5.133 1.042 1.00 0.00 C ATOM 587 O SER A 38 -6.638 4.205 0.370 1.00 0.00 O ATOM 588 CB SER A 38 -7.127 7.449 1.134 1.00 0.00 C ATOM 589 OG SER A 38 -6.802 8.816 0.951 1.00 0.00 O ATOM 0 H SER A 38 -7.254 6.368 -1.271 1.00 0.00 H new ATOM 0 HA SER A 38 -5.094 6.932 0.667 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.114 7.248 0.717 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.179 7.224 2.199 1.00 0.00 H new ATOM 0 HG SER A 38 -7.480 9.374 1.386 1.00 0.00 H new ATOM 595 N SER A 39 -5.756 4.980 2.290 1.00 0.00 N ATOM 596 CA SER A 39 -5.788 3.684 2.957 1.00 0.00 C ATOM 597 C SER A 39 -7.225 3.214 3.163 1.00 0.00 C ATOM 598 O SER A 39 -7.489 2.018 3.275 1.00 0.00 O ATOM 599 CB SER A 39 -5.067 3.761 4.303 1.00 0.00 C ATOM 600 OG SER A 39 -5.568 4.828 5.090 1.00 0.00 O ATOM 0 H SER A 39 -5.381 5.738 2.860 1.00 0.00 H new ATOM 0 HA SER A 39 -5.276 2.963 2.320 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.190 2.820 4.839 1.00 0.00 H new ATOM 0 HB3 SER A 39 -3.998 3.897 4.139 1.00 0.00 H new ATOM 0 HG SER A 39 -6.079 4.466 5.844 1.00 0.00 H new ATOM 606 N GLY A 40 -8.151 4.167 3.211 1.00 0.00 N ATOM 607 CA GLY A 40 -9.550 3.832 3.404 1.00 0.00 C ATOM 608 C GLY A 40 -10.105 2.986 2.275 1.00 0.00 C ATOM 609 O GLY A 40 -10.529 1.851 2.492 1.00 0.00 O ATOM 0 H GLY A 40 -7.958 5.164 3.120 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -9.665 3.296 4.346 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -10.132 4.750 3.486 1.00 0.00 H new ATOM 613 N ASP A 41 -10.103 3.539 1.067 1.00 0.00 N ATOM 614 CA ASP A 41 -10.611 2.828 -0.100 1.00 0.00 C ATOM 615 C ASP A 41 -10.059 1.407 -0.153 1.00 0.00 C ATOM 616 O ASP A 41 -10.798 0.452 -0.392 1.00 0.00 O ATOM 617 CB ASP A 41 -10.243 3.579 -1.381 1.00 0.00 C ATOM 618 CG ASP A 41 -10.688 5.028 -1.351 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.841 5.579 -0.240 1.00 0.00 O ATOM 620 OD2 ASP A 41 -10.881 5.611 -2.437 1.00 0.00 O ATOM 0 H ASP A 41 -9.755 4.478 0.871 1.00 0.00 H new ATOM 0 HA ASP A 41 -11.697 2.774 -0.018 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -9.164 3.536 -1.526 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -10.700 3.079 -2.235 1.00 0.00 H new ATOM 625 N MET A 42 -8.756 1.275 0.072 1.00 0.00 N ATOM 626 CA MET A 42 -8.105 -0.030 0.050 1.00 0.00 C ATOM 627 C MET A 42 -9.004 -1.096 0.670 1.00 0.00 C ATOM 628 O MET A 42 -9.175 -2.178 0.111 1.00 0.00 O ATOM 629 CB MET A 42 -6.772 0.028 0.797 1.00 0.00 C ATOM 630 CG MET A 42 -5.587 0.352 -0.098 1.00 0.00 C ATOM 631 SD MET A 42 -4.776 -1.125 -0.739 1.00 0.00 S ATOM 632 CE MET A 42 -5.665 -1.358 -2.277 1.00 0.00 C ATOM 0 H MET A 42 -8.130 2.055 0.272 1.00 0.00 H new ATOM 0 HA MET A 42 -7.918 -0.298 -0.990 1.00 0.00 H new ATOM 0 HB2 MET A 42 -6.838 0.779 1.584 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.597 -0.931 1.285 1.00 0.00 H new ATOM 0 HG2 MET A 42 -5.924 0.967 -0.932 1.00 0.00 H new ATOM 0 HG3 MET A 42 -4.864 0.944 0.463 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.963 -1.629 -3.065 1.00 0.00 H new ATOM 0 HE2 MET A 42 -6.400 -2.154 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.174 -0.433 -2.547 1.00 0.00 H new ATOM 642 N MET A 43 -9.573 -0.782 1.829 1.00 0.00 N ATOM 643 CA MET A 43 -10.454 -1.713 2.524 1.00 0.00 C ATOM 644 C MET A 43 -11.658 -2.071 1.659 1.00 0.00 C ATOM 645 O MET A 43 -11.774 -3.198 1.176 1.00 0.00 O ATOM 646 CB MET A 43 -10.925 -1.110 3.849 1.00 0.00 C ATOM 647 CG MET A 43 -9.804 -0.489 4.667 1.00 0.00 C ATOM 648 SD MET A 43 -10.276 -0.196 6.383 1.00 0.00 S ATOM 649 CE MET A 43 -9.631 -1.672 7.167 1.00 0.00 C ATOM 0 H MET A 43 -9.440 0.109 2.306 1.00 0.00 H new ATOM 0 HA MET A 43 -9.891 -2.624 2.727 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.679 -0.350 3.645 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.408 -1.887 4.441 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.934 -1.145 4.641 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.506 0.455 4.210 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.980 -1.718 8.198 1.00 0.00 H new ATOM 0 HE2 MET A 43 -9.978 -2.552 6.626 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.541 -1.644 7.154 1.00 0.00 H new ATOM 659 N ARG A 44 -12.552 -1.106 1.467 1.00 0.00 N ATOM 660 CA ARG A 44 -13.748 -1.321 0.661 1.00 0.00 C ATOM 661 C ARG A 44 -13.413 -2.090 -0.613 1.00 0.00 C ATOM 662 O ARG A 44 -14.141 -3.000 -1.010 1.00 0.00 O ATOM 663 CB ARG A 44 -14.397 0.017 0.307 1.00 0.00 C ATOM 664 CG ARG A 44 -15.099 0.683 1.479 1.00 0.00 C ATOM 665 CD ARG A 44 -15.013 2.199 1.391 1.00 0.00 C ATOM 666 NE ARG A 44 -15.660 2.716 0.188 1.00 0.00 N ATOM 667 CZ ARG A 44 -16.154 3.945 0.089 1.00 0.00 C ATOM 668 NH1 ARG A 44 -16.074 4.780 1.116 1.00 0.00 N ATOM 669 NH2 ARG A 44 -16.728 4.342 -1.039 1.00 0.00 N ATOM 0 H ARG A 44 -12.471 -0.168 1.859 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.450 -1.913 1.248 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.632 0.691 -0.078 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.118 -0.140 -0.496 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.145 0.377 1.499 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.650 0.346 2.413 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.480 2.640 2.272 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -13.966 2.504 1.399 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.737 2.099 -0.621 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -15.632 4.479 1.985 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -16.454 5.723 1.037 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -16.790 3.703 -1.832 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -17.107 5.286 -1.114 1.00 0.00 H new ATOM 683 N GLU A 45 -12.307 -1.718 -1.250 1.00 0.00 N ATOM 684 CA GLU A 45 -11.877 -2.372 -2.480 1.00 0.00 C ATOM 685 C GLU A 45 -11.546 -3.840 -2.229 1.00 0.00 C ATOM 686 O GLU A 45 -12.027 -4.725 -2.937 1.00 0.00 O ATOM 687 CB GLU A 45 -10.658 -1.656 -3.066 1.00 0.00 C ATOM 688 CG GLU A 45 -10.556 -1.766 -4.578 1.00 0.00 C ATOM 689 CD GLU A 45 -9.654 -0.707 -5.181 1.00 0.00 C ATOM 690 OE1 GLU A 45 -10.147 0.408 -5.450 1.00 0.00 O ATOM 691 OE2 GLU A 45 -8.455 -0.992 -5.383 1.00 0.00 O ATOM 0 H GLU A 45 -11.693 -0.967 -0.934 1.00 0.00 H new ATOM 0 HA GLU A 45 -12.698 -2.320 -3.195 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -10.698 -0.603 -2.789 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -9.754 -2.070 -2.618 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.177 -2.753 -4.842 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.552 -1.680 -5.013 1.00 0.00 H new ATOM 698 N ILE A 46 -10.722 -4.090 -1.217 1.00 0.00 N ATOM 699 CA ILE A 46 -10.327 -5.450 -0.872 1.00 0.00 C ATOM 700 C ILE A 46 -11.547 -6.329 -0.620 1.00 0.00 C ATOM 701 O ILE A 46 -11.802 -7.281 -1.358 1.00 0.00 O ATOM 702 CB ILE A 46 -9.424 -5.474 0.375 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.063 -4.852 0.058 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.256 -6.900 0.879 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.424 -4.162 1.243 1.00 0.00 C ATOM 0 H ILE A 46 -10.315 -3.369 -0.622 1.00 0.00 H new ATOM 0 HA ILE A 46 -9.769 -5.842 -1.722 1.00 0.00 H new ATOM 0 HB ILE A 46 -9.898 -4.885 1.160 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.392 -5.631 -0.304 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.181 -4.132 -0.751 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.615 -6.901 1.761 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.231 -7.311 1.139 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.801 -7.510 0.099 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.462 -3.744 0.946 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.075 -3.361 1.592 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.274 -4.883 2.046 1.00 0.00 H new ATOM 717 N ARG A 47 -12.299 -6.003 0.426 1.00 0.00 N ATOM 718 CA ARG A 47 -13.493 -6.762 0.775 1.00 0.00 C ATOM 719 C ARG A 47 -14.302 -7.109 -0.472 1.00 0.00 C ATOM 720 O ARG A 47 -14.768 -8.237 -0.629 1.00 0.00 O ATOM 721 CB ARG A 47 -14.361 -5.968 1.754 1.00 0.00 C ATOM 722 CG ARG A 47 -13.912 -6.088 3.201 1.00 0.00 C ATOM 723 CD ARG A 47 -12.668 -5.255 3.470 1.00 0.00 C ATOM 724 NE ARG A 47 -11.444 -6.041 3.339 1.00 0.00 N ATOM 725 CZ ARG A 47 -10.242 -5.591 3.680 1.00 0.00 C ATOM 726 NH1 ARG A 47 -10.103 -4.367 4.170 1.00 0.00 N ATOM 727 NH2 ARG A 47 -9.175 -6.366 3.532 1.00 0.00 N ATOM 0 H ARG A 47 -12.102 -5.218 1.047 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.176 -7.690 1.251 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.351 -4.917 1.465 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.392 -6.311 1.673 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.717 -5.765 3.861 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.709 -7.133 3.434 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -12.636 -4.416 2.775 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -12.723 -4.835 4.474 1.00 0.00 H new ATOM 0 HE ARG A 47 -11.516 -6.987 2.965 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -10.921 -3.768 4.286 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -9.179 -4.024 4.431 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -9.278 -7.309 3.156 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -8.252 -6.019 3.794 1.00 0.00 H new ATOM 741 N LYS A 48 -14.465 -6.130 -1.355 1.00 0.00 N ATOM 742 CA LYS A 48 -15.216 -6.330 -2.589 1.00 0.00 C ATOM 743 C LYS A 48 -14.983 -7.730 -3.147 1.00 0.00 C ATOM 744 O LYS A 48 -15.886 -8.338 -3.723 1.00 0.00 O ATOM 745 CB LYS A 48 -14.814 -5.282 -3.630 1.00 0.00 C ATOM 746 CG LYS A 48 -15.729 -5.247 -4.842 1.00 0.00 C ATOM 747 CD LYS A 48 -15.317 -4.160 -5.820 1.00 0.00 C ATOM 748 CE LYS A 48 -14.299 -4.674 -6.827 1.00 0.00 C ATOM 749 NZ LYS A 48 -14.118 -3.729 -7.964 1.00 0.00 N ATOM 0 H LYS A 48 -14.087 -5.190 -1.239 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.276 -6.220 -2.361 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -14.809 -4.298 -3.160 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -13.795 -5.482 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -15.708 -6.215 -5.343 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.756 -5.077 -4.519 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -16.197 -3.790 -6.347 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -14.895 -3.317 -5.273 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -13.342 -4.830 -6.329 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -14.622 -5.643 -7.208 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -13.417 -4.115 -8.628 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -15.025 -3.599 -8.455 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.785 -2.812 -7.604 1.00 0.00 H new ATOM 763 N VAL A 49 -13.768 -8.238 -2.971 1.00 0.00 N ATOM 764 CA VAL A 49 -13.418 -9.569 -3.454 1.00 0.00 C ATOM 765 C VAL A 49 -13.908 -10.648 -2.496 1.00 0.00 C ATOM 766 O VAL A 49 -14.473 -11.658 -2.918 1.00 0.00 O ATOM 767 CB VAL A 49 -11.896 -9.716 -3.640 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.566 -11.035 -4.323 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.340 -8.542 -4.432 1.00 0.00 C ATOM 0 H VAL A 49 -13.009 -7.748 -2.497 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.909 -9.694 -4.419 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.426 -9.716 -2.657 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.486 -11.121 -4.446 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.929 -11.862 -3.712 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -12.046 -11.068 -5.301 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.264 -8.662 -4.554 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.815 -8.507 -5.413 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.543 -7.614 -3.898 1.00 0.00 H new ATOM 779 N LEU A 50 -13.690 -10.429 -1.204 1.00 0.00 N ATOM 780 CA LEU A 50 -14.110 -11.383 -0.184 1.00 0.00 C ATOM 781 C LEU A 50 -15.591 -11.717 -0.329 1.00 0.00 C ATOM 782 O LEU A 50 -15.957 -12.862 -0.590 1.00 0.00 O ATOM 783 CB LEU A 50 -13.837 -10.820 1.212 1.00 0.00 C ATOM 784 CG LEU A 50 -12.411 -10.331 1.471 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.331 -9.602 2.803 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.434 -11.497 1.439 1.00 0.00 C ATOM 0 H LEU A 50 -13.224 -9.599 -0.838 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.535 -12.299 -0.319 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.522 -9.990 1.388 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -14.075 -11.590 1.946 1.00 0.00 H new ATOM 0 HG LEU A 50 -12.137 -9.632 0.681 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.309 -9.261 2.971 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -13.002 -8.743 2.789 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.624 -10.278 3.606 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.424 -11.131 1.625 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.705 -12.220 2.208 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.472 -11.976 0.461 1.00 0.00 H new ATOM 798 N GLY A 51 -16.440 -10.708 -0.158 1.00 0.00 N ATOM 799 CA GLY A 51 -17.872 -10.915 -0.276 1.00 0.00 C ATOM 800 C GLY A 51 -18.261 -11.531 -1.605 1.00 0.00 C ATOM 801 O GLY A 51 -19.260 -12.244 -1.697 1.00 0.00 O ATOM 0 H GLY A 51 -16.162 -9.751 0.060 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -18.210 -11.562 0.534 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.385 -9.961 -0.157 1.00 0.00 H new ATOM 805 N ALA A 52 -17.472 -11.254 -2.638 1.00 0.00 N ATOM 806 CA ALA A 52 -17.740 -11.786 -3.968 1.00 0.00 C ATOM 807 C ALA A 52 -17.418 -13.275 -4.038 1.00 0.00 C ATOM 808 O ALA A 52 -18.146 -14.048 -4.660 1.00 0.00 O ATOM 809 CB ALA A 52 -16.941 -11.022 -5.013 1.00 0.00 C ATOM 0 H ALA A 52 -16.642 -10.664 -2.579 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.803 -11.660 -4.176 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -17.151 -11.430 -6.002 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -17.222 -9.969 -4.988 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.877 -11.118 -4.799 1.00 0.00 H new ATOM 815 N ASN A 53 -16.323 -13.670 -3.397 1.00 0.00 N ATOM 816 CA ASN A 53 -15.904 -15.067 -3.389 1.00 0.00 C ATOM 817 C ASN A 53 -16.447 -15.790 -2.159 1.00 0.00 C ATOM 818 O ASN A 53 -15.776 -16.645 -1.583 1.00 0.00 O ATOM 819 CB ASN A 53 -14.378 -15.164 -3.418 1.00 0.00 C ATOM 820 CG ASN A 53 -13.827 -15.185 -4.832 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.349 -16.215 -5.307 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.893 -14.045 -5.509 1.00 0.00 N ATOM 0 H ASN A 53 -15.710 -13.043 -2.876 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.309 -15.547 -4.280 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.952 -14.318 -2.878 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -14.064 -16.067 -2.895 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.539 -13.998 -6.464 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -14.298 -13.216 -5.074 1.00 0.00 H new ATOM 829 N ASN A 54 -17.667 -15.440 -1.764 1.00 0.00 N ATOM 830 CA ASN A 54 -18.300 -16.056 -0.604 1.00 0.00 C ATOM 831 C ASN A 54 -17.298 -16.234 0.532 1.00 0.00 C ATOM 832 O ASN A 54 -17.192 -17.313 1.117 1.00 0.00 O ATOM 833 CB ASN A 54 -18.904 -17.409 -0.984 1.00 0.00 C ATOM 834 CG ASN A 54 -19.642 -17.362 -2.308 1.00 0.00 C ATOM 835 OD1 ASN A 54 -19.253 -18.021 -3.272 1.00 0.00 O ATOM 836 ND2 ASN A 54 -20.714 -16.580 -2.359 1.00 0.00 N ATOM 0 H ASN A 54 -18.236 -14.734 -2.230 1.00 0.00 H new ATOM 0 HA ASN A 54 -19.096 -15.394 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -18.111 -18.155 -1.040 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.590 -17.731 -0.200 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -21.252 -16.508 -3.223 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -21.000 -16.052 -1.535 1.00 0.00 H new ATOM 843 N CYS A 55 -16.564 -15.170 0.839 1.00 0.00 N ATOM 844 CA CYS A 55 -15.570 -15.209 1.905 1.00 0.00 C ATOM 845 C CYS A 55 -16.024 -14.381 3.103 1.00 0.00 C ATOM 846 O CYS A 55 -16.974 -13.604 3.009 1.00 0.00 O ATOM 847 CB CYS A 55 -14.224 -14.693 1.394 1.00 0.00 C ATOM 848 SG CYS A 55 -13.496 -15.702 0.083 1.00 0.00 S ATOM 0 H CYS A 55 -16.639 -14.270 0.365 1.00 0.00 H new ATOM 0 HA CYS A 55 -15.457 -16.245 2.225 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.353 -13.676 1.025 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.526 -14.643 2.229 1.00 0.00 H new ATOM 0 HG CYS A 55 -14.430 -16.389 -0.505 1.00 0.00 H new ATOM 854 N ASP A 56 -15.340 -14.553 4.228 1.00 0.00 N ATOM 855 CA ASP A 56 -15.673 -13.823 5.446 1.00 0.00 C ATOM 856 C ASP A 56 -14.443 -13.121 6.012 1.00 0.00 C ATOM 857 O ASP A 56 -13.309 -13.503 5.721 1.00 0.00 O ATOM 858 CB ASP A 56 -16.261 -14.772 6.491 1.00 0.00 C ATOM 859 CG ASP A 56 -17.536 -15.439 6.015 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.673 -15.651 4.792 1.00 0.00 O ATOM 861 OD2 ASP A 56 -18.397 -15.750 6.865 1.00 0.00 O ATOM 0 H ASP A 56 -14.551 -15.192 4.322 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.417 -13.067 5.195 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -15.525 -15.537 6.738 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.465 -14.218 7.407 1.00 0.00 H new ATOM 866 N TYR A 57 -14.674 -12.094 6.822 1.00 0.00 N ATOM 867 CA TYR A 57 -13.585 -11.336 7.427 1.00 0.00 C ATOM 868 C TYR A 57 -14.069 -10.572 8.655 1.00 0.00 C ATOM 869 O TYR A 57 -15.209 -10.113 8.704 1.00 0.00 O ATOM 870 CB TYR A 57 -12.986 -10.363 6.410 1.00 0.00 C ATOM 871 CG TYR A 57 -14.024 -9.571 5.646 1.00 0.00 C ATOM 872 CD1 TYR A 57 -14.736 -10.147 4.601 1.00 0.00 C ATOM 873 CD2 TYR A 57 -14.293 -8.247 5.971 1.00 0.00 C ATOM 874 CE1 TYR A 57 -15.684 -9.427 3.901 1.00 0.00 C ATOM 875 CE2 TYR A 57 -15.241 -7.520 5.277 1.00 0.00 C ATOM 876 CZ TYR A 57 -15.933 -8.114 4.242 1.00 0.00 C ATOM 877 OH TYR A 57 -16.878 -7.394 3.548 1.00 0.00 O ATOM 0 H TYR A 57 -15.606 -11.767 7.075 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.816 -12.042 7.741 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.322 -9.671 6.929 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.374 -10.922 5.702 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -14.545 -11.175 4.332 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -13.752 -7.778 6.780 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -16.228 -9.890 3.091 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -15.439 -6.492 5.543 1.00 0.00 H new ATOM 0 HH TYR A 57 -16.932 -6.487 3.914 1.00 0.00 H new ATOM 887 N GLU A 58 -13.192 -10.440 9.646 1.00 0.00 N ATOM 888 CA GLU A 58 -13.530 -9.732 10.875 1.00 0.00 C ATOM 889 C GLU A 58 -12.583 -8.557 11.103 1.00 0.00 C ATOM 890 O GLU A 58 -11.364 -8.727 11.137 1.00 0.00 O ATOM 891 CB GLU A 58 -13.475 -10.685 12.070 1.00 0.00 C ATOM 892 CG GLU A 58 -12.140 -10.676 12.796 1.00 0.00 C ATOM 893 CD GLU A 58 -12.151 -11.532 14.048 1.00 0.00 C ATOM 894 OE1 GLU A 58 -11.980 -12.763 13.925 1.00 0.00 O ATOM 895 OE2 GLU A 58 -12.330 -10.972 15.149 1.00 0.00 O ATOM 0 H GLU A 58 -12.243 -10.814 9.621 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.544 -9.345 10.775 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -14.263 -10.417 12.774 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -13.685 -11.698 11.726 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -11.362 -11.034 12.122 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.883 -9.651 13.063 1.00 0.00 H new ATOM 902 N GLN A 59 -13.153 -7.367 11.259 1.00 0.00 N ATOM 903 CA GLN A 59 -12.360 -6.164 11.484 1.00 0.00 C ATOM 904 C GLN A 59 -11.782 -6.148 12.895 1.00 0.00 C ATOM 905 O GLN A 59 -12.491 -5.873 13.863 1.00 0.00 O ATOM 906 CB GLN A 59 -13.213 -4.915 11.255 1.00 0.00 C ATOM 907 CG GLN A 59 -12.425 -3.729 10.723 1.00 0.00 C ATOM 908 CD GLN A 59 -13.025 -2.399 11.134 1.00 0.00 C ATOM 909 OE1 GLN A 59 -14.234 -2.287 11.341 1.00 0.00 O ATOM 910 NE2 GLN A 59 -12.181 -1.381 11.254 1.00 0.00 N ATOM 0 H GLN A 59 -14.160 -7.210 11.234 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.534 -6.166 10.773 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -14.012 -5.154 10.553 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.688 -4.633 12.194 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.399 -3.788 11.085 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -12.383 -3.784 9.635 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -11.187 -1.519 11.073 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.527 -0.461 11.527 1.00 0.00 H new ATOM 919 N ARG A 60 -10.491 -6.445 13.004 1.00 0.00 N ATOM 920 CA ARG A 60 -9.819 -6.467 14.297 1.00 0.00 C ATOM 921 C ARG A 60 -9.490 -5.051 14.762 1.00 0.00 C ATOM 922 O ARG A 60 -9.599 -4.736 15.947 1.00 0.00 O ATOM 923 CB ARG A 60 -8.538 -7.299 14.216 1.00 0.00 C ATOM 924 CG ARG A 60 -8.775 -8.745 13.813 1.00 0.00 C ATOM 925 CD ARG A 60 -9.094 -9.614 15.019 1.00 0.00 C ATOM 926 NE ARG A 60 -8.926 -11.036 14.729 1.00 0.00 N ATOM 927 CZ ARG A 60 -8.785 -11.965 15.667 1.00 0.00 C ATOM 928 NH1 ARG A 60 -8.793 -11.626 16.948 1.00 0.00 N ATOM 929 NH2 ARG A 60 -8.637 -13.239 15.324 1.00 0.00 N ATOM 0 H ARG A 60 -9.890 -6.674 12.212 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.494 -6.922 15.022 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -7.860 -6.837 13.498 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.039 -7.278 15.185 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -9.597 -8.795 13.099 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -7.891 -9.133 13.308 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -8.445 -9.334 15.849 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.119 -9.428 15.339 1.00 0.00 H new ATOM 0 HE ARG A 60 -8.917 -11.331 13.753 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -8.908 -10.649 17.216 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -8.684 -12.342 17.666 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -8.632 -13.505 14.339 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -8.529 -13.952 16.045 1.00 0.00 H new ATOM 943 N GLU A 61 -9.088 -4.203 13.821 1.00 0.00 N ATOM 944 CA GLU A 61 -8.742 -2.821 14.136 1.00 0.00 C ATOM 945 C GLU A 61 -9.231 -1.876 13.043 1.00 0.00 C ATOM 946 O GLU A 61 -9.910 -2.293 12.104 1.00 0.00 O ATOM 947 CB GLU A 61 -7.229 -2.678 14.310 1.00 0.00 C ATOM 948 CG GLU A 61 -6.659 -3.548 15.418 1.00 0.00 C ATOM 949 CD GLU A 61 -5.151 -3.433 15.533 1.00 0.00 C ATOM 950 OE1 GLU A 61 -4.679 -2.517 16.239 1.00 0.00 O ATOM 951 OE2 GLU A 61 -4.444 -4.257 14.917 1.00 0.00 O ATOM 0 H GLU A 61 -8.994 -4.448 12.835 1.00 0.00 H new ATOM 0 HA GLU A 61 -9.235 -2.554 15.071 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.738 -2.933 13.371 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.993 -1.635 14.521 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -7.115 -3.266 16.367 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -6.927 -4.588 15.233 1.00 0.00 H new ATOM 958 N ARG A 62 -8.882 -0.600 13.173 1.00 0.00 N ATOM 959 CA ARG A 62 -9.286 0.406 12.198 1.00 0.00 C ATOM 960 C ARG A 62 -8.846 0.008 10.792 1.00 0.00 C ATOM 961 O ARG A 62 -9.658 -0.049 9.868 1.00 0.00 O ATOM 962 CB ARG A 62 -8.694 1.768 12.563 1.00 0.00 C ATOM 963 CG ARG A 62 -8.763 2.785 11.435 1.00 0.00 C ATOM 964 CD ARG A 62 -8.812 4.207 11.970 1.00 0.00 C ATOM 965 NE ARG A 62 -9.096 5.179 10.917 1.00 0.00 N ATOM 966 CZ ARG A 62 -9.111 6.492 11.113 1.00 0.00 C ATOM 967 NH1 ARG A 62 -8.859 6.989 12.316 1.00 0.00 N ATOM 968 NH2 ARG A 62 -9.379 7.312 10.104 1.00 0.00 N ATOM 0 H ARG A 62 -8.320 -0.239 13.944 1.00 0.00 H new ATOM 0 HA ARG A 62 -10.374 0.475 12.214 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -9.223 2.164 13.430 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -7.653 1.635 12.858 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.895 2.669 10.785 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.646 2.594 10.825 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -9.577 4.277 12.744 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -7.859 4.450 12.440 1.00 0.00 H new ATOM 0 HE ARG A 62 -9.294 4.830 9.979 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.653 6.362 13.094 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -8.871 7.998 12.464 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -9.574 6.933 9.177 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -9.390 8.321 10.256 1.00 0.00 H new ATOM 982 N PHE A 63 -7.554 -0.265 10.637 1.00 0.00 N ATOM 983 CA PHE A 63 -7.006 -0.655 9.344 1.00 0.00 C ATOM 984 C PHE A 63 -6.516 -2.100 9.375 1.00 0.00 C ATOM 985 O PHE A 63 -5.441 -2.415 8.863 1.00 0.00 O ATOM 986 CB PHE A 63 -5.857 0.276 8.951 1.00 0.00 C ATOM 987 CG PHE A 63 -6.304 1.667 8.605 1.00 0.00 C ATOM 988 CD1 PHE A 63 -7.173 1.887 7.548 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.857 2.755 9.337 1.00 0.00 C ATOM 990 CE1 PHE A 63 -7.586 3.166 7.228 1.00 0.00 C ATOM 991 CE2 PHE A 63 -6.267 4.037 9.021 1.00 0.00 C ATOM 992 CZ PHE A 63 -7.133 4.243 7.966 1.00 0.00 C ATOM 0 H PHE A 63 -6.868 -0.223 11.391 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.800 -0.574 8.602 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -5.143 0.326 9.773 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -5.330 -0.151 8.097 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -7.531 1.049 6.968 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.180 2.600 10.164 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -8.263 3.324 6.401 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.910 4.877 9.599 1.00 0.00 H new ATOM 0 HZ PHE A 63 -7.456 5.243 7.718 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.312 -2.975 9.979 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.961 -4.388 10.079 1.00 0.00 C ATOM 1004 C LEU A 64 -8.200 -5.267 9.946 1.00 0.00 C ATOM 1005 O LEU A 64 -9.235 -4.996 10.556 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.262 -4.667 11.410 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.649 -6.059 11.567 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.468 -6.232 10.625 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.223 -6.295 13.009 1.00 0.00 C ATOM 0 H LEU A 64 -8.205 -2.731 10.407 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.280 -4.627 9.262 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.473 -3.927 11.545 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -6.982 -4.516 12.214 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.406 -6.799 11.307 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.045 -7.229 10.751 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.803 -6.108 9.595 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.709 -5.484 10.852 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -4.789 -7.291 13.102 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.483 -5.548 13.297 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.092 -6.215 13.663 1.00 0.00 H new ATOM 1021 N LEU A 65 -8.087 -6.323 9.148 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.197 -7.245 8.937 1.00 0.00 C ATOM 1023 C LEU A 65 -8.696 -8.679 8.799 1.00 0.00 C ATOM 1024 O LEU A 65 -7.684 -8.934 8.146 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.987 -6.847 7.689 1.00 0.00 C ATOM 1026 CG LEU A 65 -11.017 -5.732 7.874 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -11.083 -4.855 6.633 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -12.386 -6.318 8.189 1.00 0.00 C ATOM 0 H LEU A 65 -7.238 -6.562 8.636 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.852 -7.190 9.807 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -9.280 -6.537 6.919 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.502 -7.731 7.312 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.707 -5.112 8.715 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.821 -4.067 6.783 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -10.106 -4.407 6.452 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.369 -5.461 5.774 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -13.107 -5.510 8.318 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.704 -6.961 7.368 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -12.329 -6.903 9.107 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.412 -9.613 9.417 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.040 -11.022 9.363 1.00 0.00 C ATOM 1042 C PHE A 66 -9.608 -11.686 8.111 1.00 0.00 C ATOM 1043 O PHE A 66 -10.742 -12.167 8.111 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.539 -11.751 10.612 1.00 0.00 C ATOM 1045 CG PHE A 66 -8.897 -13.093 10.819 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.517 -13.217 10.859 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.672 -14.231 10.973 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -6.924 -14.451 11.049 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.085 -15.467 11.163 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.708 -15.577 11.202 1.00 0.00 C ATOM 0 H PHE A 66 -10.253 -9.419 9.961 1.00 0.00 H new ATOM 0 HA PHE A 66 -7.952 -11.084 9.325 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.350 -11.128 11.486 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.619 -11.881 10.540 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -6.898 -12.340 10.740 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.749 -14.151 10.944 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -5.848 -14.534 11.078 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.701 -16.346 11.281 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.246 -16.542 11.352 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.812 -11.707 7.048 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.235 -12.311 5.789 1.00 0.00 C ATOM 1062 C CYS A 67 -9.225 -13.833 5.885 1.00 0.00 C ATOM 1063 O CYS A 67 -8.208 -14.437 6.227 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.324 -11.853 4.649 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.216 -10.058 4.465 1.00 0.00 S ATOM 0 H CYS A 67 -7.871 -11.313 7.032 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.255 -11.986 5.583 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.323 -12.251 4.816 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.686 -12.282 3.715 1.00 0.00 H new ATOM 0 HG CYS A 67 -8.106 -9.757 3.205 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.364 -14.447 5.583 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.486 -15.899 5.635 1.00 0.00 C ATOM 1073 C VAL A 68 -11.424 -16.411 4.547 1.00 0.00 C ATOM 1074 O VAL A 68 -12.513 -15.874 4.348 1.00 0.00 O ATOM 1075 CB VAL A 68 -11.005 -16.369 7.007 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.418 -15.859 7.248 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.953 -17.886 7.105 1.00 0.00 C ATOM 0 H VAL A 68 -11.215 -13.962 5.300 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.488 -16.307 5.472 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.359 -15.955 7.781 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.767 -16.201 8.222 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -12.421 -14.769 7.224 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -13.080 -16.240 6.471 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.323 -18.200 8.081 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.574 -18.323 6.323 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.924 -18.224 6.981 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.992 -17.455 3.846 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.794 -18.042 2.778 1.00 0.00 C ATOM 1089 C HIS A 69 -12.371 -19.387 3.207 1.00 0.00 C ATOM 1090 O HIS A 69 -11.646 -20.262 3.679 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.950 -18.215 1.515 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.603 -19.067 0.470 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -12.843 -19.009 -0.071 1.00 0.00 N flip ATOM 1094 CD2 HIS A 69 -10.969 -20.128 -0.141 1.00 0.00 C flip ATOM 1095 CE1 HIS A 69 -12.934 -20.026 -0.989 1.00 0.00 C flip ATOM 1096 NE2 HIS A 69 -11.790 -20.686 -1.013 1.00 0.00 N flip ATOM 0 H HIS A 69 -10.092 -17.911 3.998 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.621 -17.365 2.564 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.739 -17.233 1.092 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.992 -18.658 1.786 1.00 0.00 H new ATOM 0 HD1 HIS A 69 -13.573 -18.335 0.160 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -9.959 -20.452 0.062 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -13.800 -20.250 -1.593 1.00 0.00 H new ATOM 1105 N GLY A 70 -13.680 -19.545 3.041 1.00 0.00 N ATOM 1106 CA GLY A 70 -14.332 -20.786 3.417 1.00 0.00 C ATOM 1107 C GLY A 70 -15.125 -21.393 2.277 1.00 0.00 C ATOM 1108 O GLY A 70 -15.801 -20.682 1.534 1.00 0.00 O ATOM 0 H GLY A 70 -14.301 -18.835 2.653 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -13.580 -21.500 3.753 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -14.997 -20.602 4.261 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.042 -22.711 2.138 1.00 0.00 N ATOM 1113 CA ASP A 71 -15.757 -23.415 1.079 1.00 0.00 C ATOM 1114 C ASP A 71 -16.560 -24.580 1.648 1.00 0.00 C ATOM 1115 O ASP A 71 -17.615 -24.936 1.123 1.00 0.00 O ATOM 1116 CB ASP A 71 -14.776 -23.923 0.022 1.00 0.00 C ATOM 1117 CG ASP A 71 -14.524 -22.904 -1.072 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -15.304 -21.934 -1.170 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -13.546 -23.077 -1.830 1.00 0.00 O ATOM 0 H ASP A 71 -14.487 -23.314 2.745 1.00 0.00 H new ATOM 0 HA ASP A 71 -16.449 -22.713 0.613 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -13.831 -24.179 0.501 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.167 -24.839 -0.422 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.053 -25.173 2.725 1.00 0.00 N ATOM 1125 CA GLY A 72 -16.735 -26.293 3.346 1.00 0.00 C ATOM 1126 C GLY A 72 -15.890 -26.971 4.406 1.00 0.00 C ATOM 1127 O GLY A 72 -16.401 -27.383 5.448 1.00 0.00 O ATOM 0 H GLY A 72 -15.182 -24.897 3.178 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.665 -25.944 3.795 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -17.004 -27.020 2.580 1.00 0.00 H new ATOM 1131 N HIS A 73 -14.593 -27.090 4.140 1.00 0.00 N ATOM 1132 CA HIS A 73 -13.675 -27.725 5.079 1.00 0.00 C ATOM 1133 C HIS A 73 -12.482 -26.819 5.369 1.00 0.00 C ATOM 1134 O HIS A 73 -12.435 -25.675 4.917 1.00 0.00 O ATOM 1135 CB HIS A 73 -13.190 -29.064 4.523 1.00 0.00 C ATOM 1136 CG HIS A 73 -14.193 -30.168 4.660 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -14.054 -31.203 5.561 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -15.355 -30.394 4.005 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -15.088 -32.019 5.453 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -15.892 -31.550 4.516 1.00 0.00 N ATOM 0 H HIS A 73 -14.154 -26.755 3.282 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.211 -27.900 6.012 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -12.939 -28.941 3.469 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -12.273 -29.351 5.038 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -15.781 -29.780 3.225 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -15.248 -32.916 6.032 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -16.770 -31.977 4.220 1.00 0.00 H new ATOM 1149 N ALA A 74 -11.521 -27.338 6.126 1.00 0.00 N ATOM 1150 CA ALA A 74 -10.329 -26.576 6.475 1.00 0.00 C ATOM 1151 C ALA A 74 -9.242 -26.742 5.418 1.00 0.00 C ATOM 1152 O ALA A 74 -8.414 -25.853 5.222 1.00 0.00 O ATOM 1153 CB ALA A 74 -9.809 -27.005 7.839 1.00 0.00 C ATOM 0 H ALA A 74 -11.545 -28.283 6.509 1.00 0.00 H new ATOM 0 HA ALA A 74 -10.602 -25.522 6.517 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -8.918 -26.428 8.087 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -10.577 -26.830 8.593 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -9.559 -28.066 7.816 1.00 0.00 H new ATOM 1159 N GLU A 75 -9.252 -27.886 4.740 1.00 0.00 N ATOM 1160 CA GLU A 75 -8.265 -28.167 3.704 1.00 0.00 C ATOM 1161 C GLU A 75 -8.156 -27.001 2.726 1.00 0.00 C ATOM 1162 O GLU A 75 -7.058 -26.539 2.415 1.00 0.00 O ATOM 1163 CB GLU A 75 -8.636 -29.446 2.949 1.00 0.00 C ATOM 1164 CG GLU A 75 -7.466 -30.082 2.218 1.00 0.00 C ATOM 1165 CD GLU A 75 -7.895 -30.827 0.968 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -8.906 -31.557 1.032 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -7.219 -30.680 -0.072 1.00 0.00 O ATOM 0 H GLU A 75 -9.932 -28.632 4.889 1.00 0.00 H new ATOM 0 HA GLU A 75 -7.298 -28.306 4.187 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.048 -30.168 3.654 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.422 -29.218 2.230 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -6.748 -29.308 1.947 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -6.954 -30.771 2.890 1.00 0.00 H new ATOM 1174 N ASN A 76 -9.301 -26.530 2.244 1.00 0.00 N ATOM 1175 CA ASN A 76 -9.335 -25.418 1.301 1.00 0.00 C ATOM 1176 C ASN A 76 -9.340 -24.081 2.036 1.00 0.00 C ATOM 1177 O ASN A 76 -8.993 -23.045 1.466 1.00 0.00 O ATOM 1178 CB ASN A 76 -10.567 -25.523 0.400 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.796 -25.993 1.154 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -12.046 -25.391 2.311 1.00 0.00 O flip ATOM 1181 ND2 ASN A 76 -12.511 -26.887 0.702 1.00 0.00 N flip ATOM 0 H ASN A 76 -10.218 -26.901 2.491 1.00 0.00 H new ATOM 0 HA ASN A 76 -8.438 -25.470 0.685 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -10.769 -24.551 -0.049 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.359 -26.214 -0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.281 -27.322 -0.192 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -13.334 -27.193 1.221 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.736 -24.111 3.304 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.786 -22.902 4.118 1.00 0.00 C ATOM 1190 C LEU A 77 -8.398 -22.288 4.268 1.00 0.00 C ATOM 1191 O LEU A 77 -7.389 -22.992 4.235 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.369 -23.216 5.497 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.921 -22.024 6.280 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.402 -21.834 5.989 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.689 -22.212 7.772 1.00 0.00 C ATOM 0 H LEU A 77 -10.027 -24.959 3.790 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.429 -22.181 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.169 -23.946 5.373 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.594 -23.692 6.097 1.00 0.00 H new ATOM 0 HG LEU A 77 -10.391 -21.127 5.960 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.778 -20.981 6.555 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.543 -21.653 4.923 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.948 -22.731 6.280 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -11.088 -21.354 8.313 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.192 -23.119 8.107 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.620 -22.298 7.966 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.354 -20.969 4.434 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.090 -20.260 4.593 1.00 0.00 C ATOM 1209 C VAL A 78 -7.284 -18.956 5.358 1.00 0.00 C ATOM 1210 O VAL A 78 -8.073 -18.101 4.957 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.445 -19.951 3.229 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.217 -19.071 3.405 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.088 -21.241 2.504 1.00 0.00 C ATOM 0 H VAL A 78 -9.179 -20.370 4.462 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.428 -20.915 5.160 1.00 0.00 H new ATOM 0 HB VAL A 78 -7.167 -19.407 2.620 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.775 -18.864 2.430 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.506 -18.133 3.879 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.488 -19.585 4.032 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.633 -21.004 1.542 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.384 -21.814 3.107 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -6.991 -21.830 2.343 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.558 -18.811 6.462 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.650 -17.610 7.284 1.00 0.00 C ATOM 1225 C GLN A 79 -5.440 -16.707 7.067 1.00 0.00 C ATOM 1226 O GLN A 79 -4.299 -17.170 7.075 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.762 -17.986 8.762 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.044 -18.727 9.106 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.936 -19.512 10.399 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.230 -19.111 11.324 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.637 -20.637 10.469 1.00 0.00 N ATOM 0 H GLN A 79 -5.900 -19.510 6.808 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.545 -17.064 6.986 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.909 -18.607 9.036 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.703 -17.079 9.364 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.862 -18.011 9.187 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.295 -19.407 8.292 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.209 -20.931 9.678 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.603 -21.207 11.314 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.697 -15.419 6.873 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.628 -14.451 6.653 1.00 0.00 C ATOM 1242 C TRP A 80 -5.090 -13.041 7.004 1.00 0.00 C ATOM 1243 O TRP A 80 -6.202 -12.641 6.662 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.159 -14.501 5.198 1.00 0.00 C ATOM 1245 CG TRP A 80 -5.124 -13.870 4.241 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -5.093 -12.588 3.771 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.264 -14.493 3.639 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -6.145 -12.377 2.913 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.878 -13.530 2.814 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.825 -15.771 3.714 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -8.024 -13.806 2.073 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.962 -16.043 2.978 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.551 -15.065 2.166 1.00 0.00 C ATOM 0 H TRP A 80 -6.636 -15.020 6.863 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.794 -14.712 7.305 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.196 -13.997 5.117 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -4.000 -15.540 4.910 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.351 -11.849 4.035 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -6.348 -11.503 2.428 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.378 -16.532 4.336 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.480 -13.053 1.447 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.405 -17.027 3.029 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.439 -15.310 1.602 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.229 -12.293 7.686 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.551 -10.927 8.082 1.00 0.00 C ATOM 1266 C GLU A 81 -4.073 -9.929 7.032 1.00 0.00 C ATOM 1267 O GLU A 81 -3.008 -10.098 6.439 1.00 0.00 O ATOM 1268 CB GLU A 81 -3.916 -10.602 9.436 1.00 0.00 C ATOM 1269 CG GLU A 81 -4.500 -11.402 10.589 1.00 0.00 C ATOM 1270 CD GLU A 81 -3.599 -11.409 11.809 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -2.365 -11.328 11.635 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -4.127 -11.496 12.937 1.00 0.00 O ATOM 0 H GLU A 81 -3.304 -12.609 7.976 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.635 -10.847 8.168 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -2.844 -10.791 9.380 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.042 -9.539 9.641 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.470 -10.986 10.861 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.673 -12.428 10.264 1.00 0.00 H new ATOM 1279 N MET A 82 -4.869 -8.889 6.807 1.00 0.00 N ATOM 1280 CA MET A 82 -4.527 -7.863 5.829 1.00 0.00 C ATOM 1281 C MET A 82 -4.546 -6.477 6.466 1.00 0.00 C ATOM 1282 O MET A 82 -5.591 -6.002 6.909 1.00 0.00 O ATOM 1283 CB MET A 82 -5.500 -7.908 4.649 1.00 0.00 C ATOM 1284 CG MET A 82 -5.161 -8.976 3.622 1.00 0.00 C ATOM 1285 SD MET A 82 -4.113 -8.353 2.294 1.00 0.00 S ATOM 1286 CE MET A 82 -5.318 -7.491 1.288 1.00 0.00 C ATOM 0 H MET A 82 -5.755 -8.735 7.288 1.00 0.00 H new ATOM 0 HA MET A 82 -3.519 -8.063 5.467 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.507 -8.085 5.026 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.509 -6.934 4.159 1.00 0.00 H new ATOM 0 HG2 MET A 82 -4.657 -9.805 4.119 1.00 0.00 H new ATOM 0 HG3 MET A 82 -6.083 -9.372 3.197 1.00 0.00 H new ATOM 0 HE1 MET A 82 -4.946 -7.407 0.267 1.00 0.00 H new ATOM 0 HE2 MET A 82 -6.256 -8.046 1.288 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.486 -6.494 1.696 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.384 -5.833 6.507 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.268 -4.502 7.091 1.00 0.00 C ATOM 1298 C GLU A 83 -2.746 -3.501 6.065 1.00 0.00 C ATOM 1299 O GLU A 83 -1.663 -3.676 5.506 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.341 -4.533 8.308 1.00 0.00 C ATOM 1301 CG GLU A 83 -2.113 -3.168 8.934 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.761 -3.055 9.612 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.266 -3.176 8.912 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -0.731 -2.845 10.843 1.00 0.00 O ATOM 0 H GLU A 83 -2.510 -6.211 6.143 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.261 -4.185 7.409 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.763 -5.202 9.058 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.380 -4.953 8.011 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -2.194 -2.401 8.164 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.899 -2.971 9.664 1.00 0.00 H new ATOM 1311 N VAL A 84 -3.523 -2.451 5.821 1.00 0.00 N ATOM 1312 CA VAL A 84 -3.140 -1.421 4.863 1.00 0.00 C ATOM 1313 C VAL A 84 -2.083 -0.492 5.449 1.00 0.00 C ATOM 1314 O VAL A 84 -2.406 0.474 6.141 1.00 0.00 O ATOM 1315 CB VAL A 84 -4.356 -0.585 4.422 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.925 0.523 3.472 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -5.407 -1.474 3.776 1.00 0.00 C ATOM 0 H VAL A 84 -4.423 -2.291 6.274 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.727 -1.934 3.994 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.798 -0.123 5.305 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.797 1.104 3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -3.211 1.175 3.974 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -3.458 0.085 2.590 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -6.259 -0.867 3.470 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.980 -1.966 2.902 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.736 -2.227 4.492 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.820 -0.789 5.166 1.00 0.00 N ATOM 1328 CA CYS A 85 0.287 0.020 5.666 1.00 0.00 C ATOM 1329 C CYS A 85 1.262 0.360 4.543 1.00 0.00 C ATOM 1330 O CYS A 85 1.380 -0.378 3.564 1.00 0.00 O ATOM 1331 CB CYS A 85 1.019 -0.717 6.788 1.00 0.00 C ATOM 1332 SG CYS A 85 1.899 0.370 7.933 1.00 0.00 S ATOM 0 H CYS A 85 -0.536 -1.584 4.593 1.00 0.00 H new ATOM 0 HA CYS A 85 -0.124 0.950 6.060 1.00 0.00 H new ATOM 0 HB2 CYS A 85 0.298 -1.311 7.349 1.00 0.00 H new ATOM 0 HB3 CYS A 85 1.731 -1.414 6.346 1.00 0.00 H new ATOM 0 HG CYS A 85 2.484 -0.345 8.847 1.00 0.00 H new ATOM 1466 N ASN A 93 1.828 2.161 -0.683 1.00 0.00 N ATOM 1467 CA ASN A 93 0.957 1.558 0.319 1.00 0.00 C ATOM 1468 C ASN A 93 0.726 0.080 0.019 1.00 0.00 C ATOM 1469 O ASN A 93 -0.279 -0.498 0.430 1.00 0.00 O ATOM 1470 CB ASN A 93 -0.383 2.295 0.370 1.00 0.00 C ATOM 1471 CG ASN A 93 -0.247 3.765 0.026 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -0.198 4.620 0.910 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -0.187 4.067 -1.266 1.00 0.00 N ATOM 0 HA ASN A 93 1.447 1.642 1.289 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.080 1.825 -0.324 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -0.811 2.196 1.367 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -0.097 5.040 -1.559 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.231 3.326 -1.966 1.00 0.00 H new ATOM 1480 N GLY A 94 1.665 -0.527 -0.701 1.00 0.00 N ATOM 1481 CA GLY A 94 1.545 -1.932 -1.044 1.00 0.00 C ATOM 1482 C GLY A 94 0.845 -2.734 0.035 1.00 0.00 C ATOM 1483 O GLY A 94 1.030 -2.482 1.225 1.00 0.00 O ATOM 0 H GLY A 94 2.507 -0.071 -1.053 1.00 0.00 H new ATOM 0 HA2 GLY A 94 0.994 -2.029 -1.980 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.538 -2.347 -1.215 1.00 0.00 H new ATOM 1487 N VAL A 95 0.035 -3.703 -0.382 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.696 -4.544 0.557 1.00 0.00 C ATOM 1489 C VAL A 95 0.054 -5.843 0.831 1.00 0.00 C ATOM 1490 O VAL A 95 0.217 -6.677 -0.060 1.00 0.00 O ATOM 1491 CB VAL A 95 -2.105 -4.879 0.031 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.848 -5.763 1.021 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.886 -3.603 -0.248 1.00 0.00 C ATOM 0 H VAL A 95 -0.131 -3.924 -1.364 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.787 -3.978 1.484 1.00 0.00 H new ATOM 0 HB VAL A 95 -2.004 -5.428 -0.905 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.841 -5.989 0.633 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.295 -6.691 1.166 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -2.941 -5.243 1.974 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.879 -3.858 -0.619 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.979 -3.025 0.671 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -2.360 -3.011 -0.997 1.00 0.00 H new ATOM 1503 N ARG A 96 0.507 -6.008 2.069 1.00 0.00 N ATOM 1504 CA ARG A 96 1.241 -7.206 2.461 1.00 0.00 C ATOM 1505 C ARG A 96 0.293 -8.269 3.008 1.00 0.00 C ATOM 1506 O ARG A 96 -0.743 -7.951 3.592 1.00 0.00 O ATOM 1507 CB ARG A 96 2.299 -6.861 3.510 1.00 0.00 C ATOM 1508 CG ARG A 96 2.994 -8.079 4.097 1.00 0.00 C ATOM 1509 CD ARG A 96 3.632 -7.762 5.441 1.00 0.00 C ATOM 1510 NE ARG A 96 4.700 -8.701 5.774 1.00 0.00 N ATOM 1511 CZ ARG A 96 5.066 -8.985 7.019 1.00 0.00 C ATOM 1512 NH1 ARG A 96 4.454 -8.406 8.042 1.00 0.00 N ATOM 1513 NH2 ARG A 96 6.047 -9.851 7.242 1.00 0.00 N ATOM 0 H ARG A 96 0.379 -5.328 2.818 1.00 0.00 H new ATOM 0 HA ARG A 96 1.735 -7.606 1.575 1.00 0.00 H new ATOM 0 HB2 ARG A 96 3.047 -6.209 3.059 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.829 -6.298 4.316 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.273 -8.888 4.217 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.758 -8.432 3.405 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.033 -6.749 5.422 1.00 0.00 H new ATOM 0 HD3 ARG A 96 2.870 -7.789 6.220 1.00 0.00 H new ATOM 0 HE ARG A 96 5.191 -9.164 5.009 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.700 -7.740 7.875 1.00 0.00 H new ATOM 0 HH12 ARG A 96 4.737 -8.626 8.997 1.00 0.00 H new ATOM 0 HH21 ARG A 96 6.520 -10.299 6.457 1.00 0.00 H new ATOM 0 HH22 ARG A 96 6.328 -10.069 8.198 1.00 0.00 H new ATOM 1527 N PHE A 97 0.656 -9.533 2.816 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.162 -10.644 3.289 1.00 0.00 C ATOM 1529 C PHE A 97 0.555 -11.416 4.393 1.00 0.00 C ATOM 1530 O PHE A 97 1.782 -11.386 4.491 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.501 -11.584 2.131 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.542 -11.035 1.198 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.416 -9.759 0.672 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.646 -11.794 0.846 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.372 -9.250 -0.187 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.605 -11.291 -0.014 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.468 -10.018 -0.530 1.00 0.00 C ATOM 0 H PHE A 97 1.511 -9.814 2.336 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.086 -10.234 3.698 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.407 -11.794 1.566 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -0.851 -12.534 2.535 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.561 -9.155 0.936 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -2.759 -12.790 1.248 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.262 -8.254 -0.589 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.460 -11.894 -0.282 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.217 -9.623 -1.201 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.220 -12.106 5.222 1.00 0.00 N ATOM 1548 CA LYS A 98 0.339 -12.887 6.320 1.00 0.00 C ATOM 1549 C LYS A 98 -0.441 -14.184 6.516 1.00 0.00 C ATOM 1550 O LYS A 98 -1.647 -14.163 6.760 1.00 0.00 O ATOM 1551 CB LYS A 98 0.325 -12.070 7.613 1.00 0.00 C ATOM 1552 CG LYS A 98 0.843 -12.833 8.820 1.00 0.00 C ATOM 1553 CD LYS A 98 1.087 -11.909 10.001 1.00 0.00 C ATOM 1554 CE LYS A 98 1.178 -12.685 11.307 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.393 -13.545 11.357 1.00 0.00 N ATOM 0 H LYS A 98 -1.237 -12.141 5.155 1.00 0.00 H new ATOM 0 HA LYS A 98 1.369 -13.138 6.068 1.00 0.00 H new ATOM 0 HB2 LYS A 98 0.930 -11.174 7.473 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.694 -11.739 7.813 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.124 -13.602 9.101 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.770 -13.343 8.559 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.010 -11.351 9.843 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.280 -11.179 10.066 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.192 -11.987 12.144 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.289 -13.305 11.424 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.419 -14.057 12.262 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.367 -14.228 10.573 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.242 -12.951 11.271 1.00 0.00 H new ATOM 1569 N ARG A 99 0.257 -15.310 6.410 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.370 -16.616 6.577 1.00 0.00 C ATOM 1571 C ARG A 99 -0.650 -16.901 8.050 1.00 0.00 C ATOM 1572 O ARG A 99 0.261 -16.884 8.878 1.00 0.00 O ATOM 1573 CB ARG A 99 0.523 -17.712 5.994 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.197 -19.033 5.777 1.00 0.00 C ATOM 1575 CD ARG A 99 0.698 -20.048 5.084 1.00 0.00 C ATOM 1576 NE ARG A 99 1.457 -20.851 6.040 1.00 0.00 N ATOM 1577 CZ ARG A 99 0.964 -21.918 6.659 1.00 0.00 C ATOM 1578 NH1 ARG A 99 -0.281 -22.309 6.423 1.00 0.00 N ATOM 1579 NH2 ARG A 99 1.717 -22.596 7.515 1.00 0.00 N ATOM 0 H ARG A 99 1.256 -15.344 6.209 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.319 -16.607 6.041 1.00 0.00 H new ATOM 0 HB2 ARG A 99 0.930 -17.369 5.043 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.368 -17.874 6.663 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.526 -19.431 6.737 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.092 -18.867 5.178 1.00 0.00 H new ATOM 0 HD2 ARG A 99 0.089 -20.704 4.463 1.00 0.00 H new ATOM 0 HD3 ARG A 99 1.388 -19.529 4.419 1.00 0.00 H new ATOM 0 HE ARG A 99 2.418 -20.577 6.243 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -0.862 -21.790 5.765 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -0.657 -23.129 6.900 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.675 -22.298 7.698 1.00 0.00 H new ATOM 0 HH22 ARG A 99 1.338 -23.415 7.990 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.913 -17.162 8.367 1.00 0.00 N ATOM 1594 CA ILE A 100 -2.311 -17.451 9.739 1.00 0.00 C ATOM 1595 C ILE A 100 -2.467 -18.951 9.962 1.00 0.00 C ATOM 1596 O ILE A 100 -1.951 -19.501 10.935 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.634 -16.749 10.101 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -3.521 -15.243 9.858 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -4.004 -17.031 11.550 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -2.983 -14.478 11.046 1.00 0.00 C ATOM 0 H ILE A 100 -2.678 -17.179 7.693 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.519 -17.071 10.384 1.00 0.00 H new ATOM 0 HB ILE A 100 -4.424 -17.143 9.461 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -2.872 -15.069 9.000 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -4.504 -14.850 9.598 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.941 -16.528 11.791 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -4.121 -18.105 11.693 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -3.215 -16.662 12.205 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -2.930 -13.417 10.802 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -3.644 -14.621 11.901 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -1.986 -14.844 11.293 1.00 0.00 H new ATOM 1612 N SER A 101 -3.180 -19.608 9.053 1.00 0.00 N ATOM 1613 CA SER A 101 -3.405 -21.045 9.150 1.00 0.00 C ATOM 1614 C SER A 101 -3.833 -21.621 7.804 1.00 0.00 C ATOM 1615 O SER A 101 -4.059 -20.885 6.845 1.00 0.00 O ATOM 1616 CB SER A 101 -4.470 -21.345 10.207 1.00 0.00 C ATOM 1617 OG SER A 101 -5.774 -21.224 9.667 1.00 0.00 O ATOM 0 H SER A 101 -3.612 -19.168 8.241 1.00 0.00 H new ATOM 0 HA SER A 101 -2.467 -21.515 9.445 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.326 -22.353 10.596 1.00 0.00 H new ATOM 0 HB3 SER A 101 -4.356 -20.660 11.047 1.00 0.00 H new ATOM 0 HG SER A 101 -6.379 -21.838 10.133 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.942 -22.945 7.741 1.00 0.00 N ATOM 1624 CA GLY A 102 -4.342 -23.598 6.508 1.00 0.00 C ATOM 1625 C GLY A 102 -3.174 -24.242 5.788 1.00 0.00 C ATOM 1626 O GLY A 102 -2.353 -24.923 6.403 1.00 0.00 O ATOM 0 H GLY A 102 -3.761 -23.576 8.521 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -5.092 -24.357 6.729 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.813 -22.868 5.850 1.00 0.00 H new ATOM 1630 N THR A 103 -3.098 -24.028 4.478 1.00 0.00 N ATOM 1631 CA THR A 103 -2.024 -24.594 3.672 1.00 0.00 C ATOM 1632 C THR A 103 -1.391 -23.534 2.777 1.00 0.00 C ATOM 1633 O THR A 103 -1.989 -22.491 2.516 1.00 0.00 O ATOM 1634 CB THR A 103 -2.531 -25.754 2.794 1.00 0.00 C ATOM 1635 OG1 THR A 103 -3.699 -25.348 2.073 1.00 0.00 O ATOM 1636 CG2 THR A 103 -2.853 -26.974 3.644 1.00 0.00 C ATOM 0 H THR A 103 -3.768 -23.466 3.953 1.00 0.00 H new ATOM 0 HA THR A 103 -1.275 -24.974 4.367 1.00 0.00 H new ATOM 0 HB THR A 103 -1.743 -26.019 2.089 1.00 0.00 H new ATOM 0 HG1 THR A 103 -4.014 -26.090 1.516 1.00 0.00 H new ATOM 0 HG21 THR A 103 -3.209 -27.780 3.003 1.00 0.00 H new ATOM 0 HG22 THR A 103 -1.955 -27.298 4.170 1.00 0.00 H new ATOM 0 HG23 THR A 103 -3.626 -26.719 4.369 1.00 0.00 H new ATOM 1644 N SER A 104 -0.177 -23.810 2.309 1.00 0.00 N ATOM 1645 CA SER A 104 0.538 -22.878 1.445 1.00 0.00 C ATOM 1646 C SER A 104 -0.095 -22.828 0.058 1.00 0.00 C ATOM 1647 O SER A 104 -0.495 -21.763 -0.415 1.00 0.00 O ATOM 1648 CB SER A 104 2.010 -23.282 1.332 1.00 0.00 C ATOM 1649 OG SER A 104 2.166 -24.683 1.475 1.00 0.00 O ATOM 0 H SER A 104 0.331 -24.671 2.514 1.00 0.00 H new ATOM 0 HA SER A 104 0.474 -21.885 1.890 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.404 -22.966 0.366 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.591 -22.768 2.097 1.00 0.00 H new ATOM 0 HG SER A 104 3.115 -24.916 1.397 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.182 -23.985 -0.588 1.00 0.00 N ATOM 1656 CA ILE A 105 -0.767 -24.074 -1.920 1.00 0.00 C ATOM 1657 C ILE A 105 -1.965 -23.141 -2.058 1.00 0.00 C ATOM 1658 O ILE A 105 -1.918 -22.158 -2.796 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.210 -25.513 -2.245 1.00 0.00 C ATOM 1660 CG1 ILE A 105 0.000 -26.371 -2.620 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.233 -25.510 -3.372 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.864 -25.758 -3.700 1.00 0.00 C ATOM 0 H ILE A 105 0.145 -24.874 -0.211 1.00 0.00 H new ATOM 0 HA ILE A 105 0.007 -23.773 -2.626 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.675 -25.943 -1.358 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.608 -26.537 -1.730 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.348 -27.348 -2.955 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.537 -26.534 -3.591 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.105 -24.929 -3.070 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -1.791 -25.065 -4.263 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.703 -26.420 -3.915 1.00 0.00 H new ATOM 0 HD12 ILE A 105 0.271 -25.618 -4.604 1.00 0.00 H new ATOM 0 HD13 ILE A 105 1.241 -24.794 -3.360 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.038 -23.456 -1.340 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.248 -22.643 -1.378 1.00 0.00 C ATOM 1676 C ALA A 106 -3.939 -21.183 -1.066 1.00 0.00 C ATOM 1677 O ALA A 106 -4.452 -20.276 -1.721 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.280 -23.187 -0.402 1.00 0.00 C ATOM 0 H ALA A 106 -3.094 -24.268 -0.725 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.657 -22.692 -2.387 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.178 -22.570 -0.441 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.532 -24.212 -0.673 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.871 -23.169 0.608 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.098 -20.963 -0.061 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.722 -19.612 0.340 1.00 0.00 C ATOM 1686 C PHE A 107 -2.267 -18.795 -0.866 1.00 0.00 C ATOM 1687 O PHE A 107 -2.695 -17.656 -1.056 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.609 -19.659 1.388 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.246 -18.310 1.939 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.960 -17.762 2.992 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.192 -17.588 1.402 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.629 -16.520 3.501 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.144 -16.347 1.908 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.576 -15.812 2.958 1.00 0.00 C ATOM 0 H PHE A 107 -2.664 -21.703 0.491 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.599 -19.131 0.774 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.921 -20.306 2.208 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.722 -20.112 0.944 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.785 -18.312 3.420 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.373 -18.000 0.579 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -2.194 -16.104 4.322 1.00 0.00 H new ATOM 0 HE2 PHE A 107 0.969 -15.796 1.483 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.316 -14.841 3.354 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.395 -19.384 -1.677 1.00 0.00 N ATOM 1705 CA LYS A 108 -0.881 -18.712 -2.865 1.00 0.00 C ATOM 1706 C LYS A 108 -1.933 -18.678 -3.969 1.00 0.00 C ATOM 1707 O LYS A 108 -2.273 -17.612 -4.481 1.00 0.00 O ATOM 1708 CB LYS A 108 0.380 -19.419 -3.369 1.00 0.00 C ATOM 1709 CG LYS A 108 1.641 -19.017 -2.625 1.00 0.00 C ATOM 1710 CD LYS A 108 1.912 -19.939 -1.448 1.00 0.00 C ATOM 1711 CE LYS A 108 2.691 -21.173 -1.876 1.00 0.00 C ATOM 1712 NZ LYS A 108 1.851 -22.112 -2.669 1.00 0.00 N ATOM 0 H LYS A 108 -1.029 -20.325 -1.534 1.00 0.00 H new ATOM 0 HA LYS A 108 -0.632 -17.686 -2.593 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.243 -20.497 -3.279 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.509 -19.202 -4.429 1.00 0.00 H new ATOM 0 HG2 LYS A 108 2.490 -19.038 -3.308 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.544 -17.991 -2.270 1.00 0.00 H new ATOM 0 HD2 LYS A 108 2.472 -19.400 -0.684 1.00 0.00 H new ATOM 0 HD3 LYS A 108 0.967 -20.242 -0.996 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.555 -20.870 -2.468 1.00 0.00 H new ATOM 0 HE3 LYS A 108 3.074 -21.685 -0.993 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 2.182 -23.086 -2.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 0.859 -22.032 -2.366 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 1.924 -21.875 -3.679 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.444 -19.850 -4.330 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.459 -19.953 -5.373 1.00 0.00 C ATOM 1728 C ASN A 109 -4.545 -18.899 -5.181 1.00 0.00 C ATOM 1729 O ASN A 109 -4.855 -18.139 -6.099 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.082 -21.350 -5.371 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.233 -22.364 -6.114 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.446 -22.618 -7.299 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -2.265 -22.948 -5.418 1.00 0.00 N ATOM 0 H ASN A 109 -2.172 -20.742 -3.916 1.00 0.00 H new ATOM 0 HA ASN A 109 -2.975 -19.780 -6.334 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.221 -21.681 -4.342 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.071 -21.304 -5.827 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -1.661 -23.639 -5.864 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -2.125 -22.706 -4.437 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.119 -18.860 -3.983 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.168 -17.898 -3.671 1.00 0.00 C ATOM 1742 C ILE A 110 -5.627 -16.472 -3.675 1.00 0.00 C ATOM 1743 O ILE A 110 -6.330 -15.532 -4.045 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.808 -18.188 -2.300 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.014 -17.275 -2.072 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -5.783 -18.009 -1.189 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.192 -17.596 -2.964 1.00 0.00 C ATOM 0 H ILE A 110 -4.875 -19.483 -3.213 1.00 0.00 H new ATOM 0 HA ILE A 110 -6.927 -17.998 -4.447 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.152 -19.222 -2.287 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.326 -17.352 -1.030 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.713 -16.241 -2.239 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.250 -18.217 -0.226 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -4.952 -18.697 -1.346 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.412 -16.984 -1.198 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.010 -16.909 -2.747 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -8.897 -17.491 -4.008 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.519 -18.619 -2.780 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.373 -16.320 -3.264 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.735 -15.010 -3.225 1.00 0.00 C ATOM 1761 C ALA A 111 -3.719 -14.366 -4.607 1.00 0.00 C ATOM 1762 O ALA A 111 -3.832 -13.147 -4.735 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.320 -15.128 -2.678 1.00 0.00 C ATOM 0 H ALA A 111 -3.778 -17.088 -2.953 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.316 -14.370 -2.562 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.856 -14.142 -2.655 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.353 -15.538 -1.668 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.736 -15.789 -3.319 1.00 0.00 H new ATOM 1769 N SER A 112 -3.576 -15.192 -5.638 1.00 0.00 N ATOM 1770 CA SER A 112 -3.540 -14.701 -7.011 1.00 0.00 C ATOM 1771 C SER A 112 -4.838 -13.983 -7.366 1.00 0.00 C ATOM 1772 O SER A 112 -4.823 -12.905 -7.960 1.00 0.00 O ATOM 1773 CB SER A 112 -3.302 -15.859 -7.982 1.00 0.00 C ATOM 1774 OG SER A 112 -2.990 -15.381 -9.279 1.00 0.00 O ATOM 0 H SER A 112 -3.483 -16.204 -5.549 1.00 0.00 H new ATOM 0 HA SER A 112 -2.718 -13.990 -7.095 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.487 -16.483 -7.615 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.191 -16.488 -8.027 1.00 0.00 H new ATOM 0 HG SER A 112 -2.841 -16.140 -9.880 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.962 -14.589 -6.997 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.271 -14.009 -7.273 1.00 0.00 C ATOM 1782 C LYS A 113 -7.413 -12.644 -6.608 1.00 0.00 C ATOM 1783 O LYS A 113 -7.517 -11.621 -7.285 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.379 -14.945 -6.785 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.728 -16.043 -7.774 1.00 0.00 C ATOM 1786 CD LYS A 113 -7.700 -17.162 -7.749 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.129 -18.332 -8.623 1.00 0.00 C ATOM 1788 NZ LYS A 113 -6.959 -19.089 -9.148 1.00 0.00 N ATOM 0 H LYS A 113 -5.992 -15.482 -6.506 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.363 -13.878 -8.351 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.070 -15.400 -5.844 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.273 -14.358 -6.577 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.713 -16.447 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -8.787 -15.624 -8.779 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -6.738 -16.782 -8.094 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -7.558 -17.505 -6.724 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -8.766 -19.002 -8.046 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.727 -17.963 -9.456 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -7.292 -19.878 -9.738 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -6.364 -18.456 -9.720 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -6.402 -19.463 -8.353 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.415 -12.636 -5.279 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.541 -11.396 -4.523 1.00 0.00 C ATOM 1804 C ILE A 114 -6.763 -10.266 -5.187 1.00 0.00 C ATOM 1805 O ILE A 114 -7.266 -9.152 -5.331 1.00 0.00 O ATOM 1806 CB ILE A 114 -7.044 -11.566 -3.076 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.808 -12.694 -2.379 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.196 -10.262 -2.307 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.300 -12.454 -2.301 1.00 0.00 C ATOM 0 H ILE A 114 -7.331 -13.474 -4.704 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.601 -11.143 -4.507 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.987 -11.830 -3.100 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.626 -13.628 -2.910 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.415 -12.819 -1.370 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.840 -10.398 -1.286 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.611 -9.482 -2.794 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.246 -9.970 -2.290 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.778 -13.293 -1.795 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.492 -11.537 -1.744 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.706 -12.359 -3.308 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.532 -10.561 -5.592 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.684 -9.571 -6.245 1.00 0.00 C ATOM 1823 C ALA A 115 -5.266 -9.152 -7.591 1.00 0.00 C ATOM 1824 O ALA A 115 -5.604 -7.987 -7.795 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.276 -10.117 -6.424 1.00 0.00 C ATOM 0 H ALA A 115 -5.100 -11.478 -5.479 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.641 -8.689 -5.607 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.654 -9.367 -6.913 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.853 -10.359 -5.449 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.310 -11.017 -7.039 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.379 -10.109 -8.505 1.00 0.00 N ATOM 1832 CA ASN A 116 -5.920 -9.838 -9.833 1.00 0.00 C ATOM 1833 C ASN A 116 -7.206 -9.023 -9.741 1.00 0.00 C ATOM 1834 O ASN A 116 -7.337 -7.980 -10.379 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.186 -11.150 -10.575 1.00 0.00 C ATOM 1836 CG ASN A 116 -4.907 -11.825 -11.032 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.000 -11.174 -11.551 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -4.830 -13.137 -10.841 1.00 0.00 N ATOM 0 H ASN A 116 -5.104 -11.079 -8.352 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.182 -9.258 -10.387 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.738 -11.827 -9.924 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -6.819 -10.953 -11.440 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -3.994 -13.646 -11.129 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.607 -13.636 -10.407 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.151 -9.507 -8.941 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.427 -8.823 -8.766 1.00 0.00 C ATOM 1847 C GLU A 117 -9.215 -7.397 -8.266 1.00 0.00 C ATOM 1848 O GLU A 117 -9.943 -6.479 -8.646 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.313 -9.593 -7.785 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.524 -11.048 -8.167 1.00 0.00 C ATOM 1851 CD GLU A 117 -10.751 -11.233 -9.655 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.410 -10.368 -10.268 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.268 -12.245 -10.207 1.00 0.00 O ATOM 0 H GLU A 117 -8.057 -10.369 -8.404 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.923 -8.780 -9.735 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.865 -9.548 -6.792 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.283 -9.099 -7.720 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.655 -11.630 -7.861 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.381 -11.443 -7.621 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.214 -7.219 -7.411 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.906 -5.905 -6.857 1.00 0.00 C ATOM 1862 C LEU A 118 -6.891 -5.171 -7.728 1.00 0.00 C ATOM 1863 O LEU A 118 -6.168 -4.295 -7.255 1.00 0.00 O ATOM 1864 CB LEU A 118 -7.366 -6.044 -5.433 1.00 0.00 C ATOM 1865 CG LEU A 118 -8.414 -6.188 -4.329 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.844 -6.962 -3.150 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.910 -4.820 -3.882 1.00 0.00 C ATOM 0 H LEU A 118 -7.602 -7.968 -7.086 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.827 -5.323 -6.835 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.709 -6.913 -5.398 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.752 -5.171 -5.212 1.00 0.00 H new ATOM 0 HG LEU A 118 -9.261 -6.746 -4.729 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.604 -7.055 -2.374 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.539 -7.955 -3.480 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.980 -6.432 -2.750 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -9.655 -4.942 -3.096 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -8.072 -4.236 -3.500 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -9.358 -4.301 -4.729 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.844 -5.534 -9.006 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.921 -4.909 -9.946 1.00 0.00 C ATOM 1881 C LYS A 119 -4.588 -4.598 -9.274 1.00 0.00 C ATOM 1882 O LYS A 119 -3.979 -3.559 -9.531 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.531 -3.624 -10.512 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.476 -3.862 -11.677 1.00 0.00 C ATOM 1885 CD LYS A 119 -6.724 -3.976 -12.992 1.00 0.00 C ATOM 1886 CE LYS A 119 -6.461 -2.609 -13.604 1.00 0.00 C ATOM 1887 NZ LYS A 119 -7.703 -1.999 -14.155 1.00 0.00 N ATOM 0 H LYS A 119 -7.435 -6.258 -9.414 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.742 -5.610 -10.762 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -7.070 -3.107 -9.718 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.728 -2.962 -10.836 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.047 -4.774 -11.503 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.194 -3.044 -11.737 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -5.777 -4.490 -12.827 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -7.300 -4.584 -13.690 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -6.037 -1.948 -12.848 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -5.720 -2.703 -14.398 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -7.452 -1.215 -14.791 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -8.237 -2.717 -14.684 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -8.288 -1.638 -13.375 1.00 0.00 H new ATOM 1901 N LEU A 120 -4.138 -5.505 -8.414 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.875 -5.329 -7.706 1.00 0.00 C ATOM 1903 C LEU A 120 -1.706 -5.836 -8.544 1.00 0.00 C ATOM 1904 O LEU A 120 -1.892 -6.314 -9.663 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.912 -6.064 -6.365 1.00 0.00 C ATOM 1906 CG LEU A 120 -4.029 -5.652 -5.405 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -4.132 -6.638 -4.251 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.791 -4.242 -4.884 1.00 0.00 C ATOM 0 H LEU A 120 -4.629 -6.370 -8.190 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.734 -4.263 -7.525 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -3.004 -7.132 -6.561 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.956 -5.913 -5.864 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.973 -5.662 -5.950 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.932 -6.329 -3.578 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -4.350 -7.632 -4.640 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -3.188 -6.660 -3.706 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.595 -3.965 -4.202 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.839 -4.205 -4.355 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.768 -3.544 -5.721 1.00 0.00 H new ATOM 1920 N SER A 121 -0.500 -5.730 -7.994 1.00 0.00 N ATOM 1921 CA SER A 121 0.700 -6.176 -8.692 1.00 0.00 C ATOM 1922 C SER A 121 0.489 -7.555 -9.308 1.00 0.00 C ATOM 1923 O SER A 121 0.750 -7.765 -10.492 1.00 0.00 O ATOM 1924 CB SER A 121 1.890 -6.211 -7.731 1.00 0.00 C ATOM 1925 OG SER A 121 3.049 -6.714 -8.373 1.00 0.00 O ATOM 0 H SER A 121 -0.328 -5.339 -7.068 1.00 0.00 H new ATOM 0 HA SER A 121 0.909 -5.468 -9.494 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.086 -5.208 -7.353 1.00 0.00 H new ATOM 0 HB3 SER A 121 1.648 -6.834 -6.870 1.00 0.00 H new ATOM 0 HG SER A 121 3.796 -6.725 -7.738 1.00 0.00 H new ATOM 1931 N GLY A 122 0.014 -8.494 -8.495 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.225 -9.842 -8.977 1.00 0.00 C ATOM 1933 C GLY A 122 1.053 -10.542 -9.396 1.00 0.00 C ATOM 1934 O GLY A 122 1.268 -10.835 -10.572 1.00 0.00 O ATOM 0 H GLY A 122 -0.210 -8.345 -7.511 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.714 -10.423 -8.195 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -0.910 -9.806 -9.824 1.00 0.00 H new ATOM 1938 N PRO A 123 1.929 -10.819 -8.419 1.00 0.00 N ATOM 1939 CA PRO A 123 3.207 -11.492 -8.669 1.00 0.00 C ATOM 1940 C PRO A 123 3.027 -12.955 -9.056 1.00 0.00 C ATOM 1941 O PRO A 123 4.001 -13.672 -9.281 1.00 0.00 O ATOM 1942 CB PRO A 123 3.935 -11.379 -7.327 1.00 0.00 C ATOM 1943 CG PRO A 123 2.849 -11.252 -6.316 1.00 0.00 C ATOM 1944 CD PRO A 123 1.738 -10.498 -6.994 1.00 0.00 C ATOM 0 HA PRO A 123 3.748 -11.043 -9.502 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.552 -12.257 -7.137 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.597 -10.513 -7.308 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.509 -12.233 -5.983 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.199 -10.719 -5.432 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.759 -10.818 -6.638 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.809 -9.426 -6.810 1.00 0.00 H new