USER MOD reduce.3.24.130724 H: found=0, std=0, add=675, rem=0, adj=18 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 73 HIS : no HD1:sc= -1.09 K(o=-3.8,f=-0.96) USER MOD Set 1.2: A 76 ASN : amide:sc= -2.76! K(o=-3.8!,f=-0.96) USER MOD Set 2.1: A 55 CYS SG : rot 28:sc= 0.812 USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.44 K(o=0.37,f=1.2) USER MOD Set 3.1: A 43 MET CE :methyl 171:sc= -2.02 (180deg=-1.86) USER MOD Set 3.2: A 59 GLN : amide:sc= 0.128 K(o=-1.9,f=-3.5!) USER MOD Single : A 29 ASN : amide:sc= -0.645 K(o=-0.64,f=-1.9!) USER MOD Single : A 31 TYR OH : rot 180:sc= 0 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 153:sc= 0.301 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 SER OG : rot -90:sc= 0.586 USER MOD Single : A 42 MET CE :methyl -159:sc= -0.112 (180deg=-0.711) USER MOD Single : A 48 LYS NZ :NH3+ 150:sc= -1.16 (180deg=-2.79!) USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 54 ASN : amide:sc= -0.264 X(o=-0.26,f=0) USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 CYS SG : rot 170:sc= 1.36 USER MOD Single : A 79 GLN : amide:sc= -0.0734 X(o=-0.073,f=-0.17) USER MOD Single : A 82 MET CE :methyl -112:sc= -1.42 (180deg=-3.7!) USER MOD Single : A 85 CYS SG : rot 180:sc= 0 USER MOD Single : A 93 ASN : amide:sc= -0.462 K(o=-0.46,f=-5.1!) USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 103 THR OG1 : rot 180:sc= 0 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= -5.04! K(o=-5!,f=-1.7) USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 113 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 116 ASN : amide:sc= -0.0662 K(o=-0.066,f=-0.73) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 457 N ASN A 29 5.378 -14.900 3.288 1.00 0.00 N ATOM 458 CA ASN A 29 4.361 -13.879 3.066 1.00 0.00 C ATOM 459 C ASN A 29 4.409 -13.367 1.629 1.00 0.00 C ATOM 460 O ASN A 29 5.455 -13.404 0.980 1.00 0.00 O ATOM 461 CB ASN A 29 4.553 -12.716 4.041 1.00 0.00 C ATOM 462 CG ASN A 29 4.574 -13.171 5.487 1.00 0.00 C ATOM 463 OD1 ASN A 29 3.559 -13.114 6.182 1.00 0.00 O ATOM 464 ND2 ASN A 29 5.733 -13.627 5.947 1.00 0.00 N ATOM 0 HA ASN A 29 3.384 -14.331 3.240 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.487 -12.203 3.811 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.749 -11.993 3.902 1.00 0.00 H new ATOM 0 HD21 ASN A 29 5.808 -13.948 6.912 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.549 -13.656 5.335 1.00 0.00 H new ATOM 471 N LEU A 30 3.271 -12.889 1.139 1.00 0.00 N ATOM 472 CA LEU A 30 3.182 -12.369 -0.221 1.00 0.00 C ATOM 473 C LEU A 30 3.072 -10.847 -0.215 1.00 0.00 C ATOM 474 O LEU A 30 2.632 -10.250 0.768 1.00 0.00 O ATOM 475 CB LEU A 30 1.979 -12.976 -0.944 1.00 0.00 C ATOM 476 CG LEU A 30 2.189 -14.367 -1.545 1.00 0.00 C ATOM 477 CD1 LEU A 30 0.889 -14.895 -2.132 1.00 0.00 C ATOM 478 CD2 LEU A 30 3.280 -14.330 -2.605 1.00 0.00 C ATOM 0 H LEU A 30 2.397 -12.851 1.663 1.00 0.00 H new ATOM 0 HA LEU A 30 4.093 -12.648 -0.750 1.00 0.00 H new ATOM 0 HB2 LEU A 30 1.147 -13.027 -0.242 1.00 0.00 H new ATOM 0 HB3 LEU A 30 1.681 -12.298 -1.744 1.00 0.00 H new ATOM 0 HG LEU A 30 2.506 -15.043 -0.750 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.057 -15.885 -2.555 1.00 0.00 H new ATOM 0 HD12 LEU A 30 0.135 -14.959 -1.348 1.00 0.00 H new ATOM 0 HD13 LEU A 30 0.542 -14.220 -2.915 1.00 0.00 H new ATOM 0 HD21 LEU A 30 3.416 -15.328 -3.022 1.00 0.00 H new ATOM 0 HD22 LEU A 30 2.992 -13.641 -3.399 1.00 0.00 H new ATOM 0 HD23 LEU A 30 4.214 -13.995 -2.154 1.00 0.00 H new ATOM 490 N TYR A 31 3.471 -10.226 -1.319 1.00 0.00 N ATOM 491 CA TYR A 31 3.417 -8.774 -1.442 1.00 0.00 C ATOM 492 C TYR A 31 2.650 -8.361 -2.694 1.00 0.00 C ATOM 493 O TYR A 31 2.698 -9.042 -3.718 1.00 0.00 O ATOM 494 CB TYR A 31 4.831 -8.192 -1.481 1.00 0.00 C ATOM 495 CG TYR A 31 5.785 -8.851 -0.511 1.00 0.00 C ATOM 496 CD1 TYR A 31 5.513 -8.875 0.852 1.00 0.00 C ATOM 497 CD2 TYR A 31 6.957 -9.449 -0.955 1.00 0.00 C ATOM 498 CE1 TYR A 31 6.382 -9.475 1.743 1.00 0.00 C ATOM 499 CE2 TYR A 31 7.831 -10.052 -0.072 1.00 0.00 C ATOM 500 CZ TYR A 31 7.539 -10.063 1.276 1.00 0.00 C ATOM 501 OH TYR A 31 8.408 -10.662 2.159 1.00 0.00 O ATOM 0 H TYR A 31 3.836 -10.705 -2.142 1.00 0.00 H new ATOM 0 HA TYR A 31 2.893 -8.380 -0.571 1.00 0.00 H new ATOM 0 HB2 TYR A 31 5.228 -8.291 -2.491 1.00 0.00 H new ATOM 0 HB3 TYR A 31 4.782 -7.126 -1.261 1.00 0.00 H new ATOM 0 HD1 TYR A 31 4.607 -8.417 1.221 1.00 0.00 H new ATOM 0 HD2 TYR A 31 7.189 -9.442 -2.010 1.00 0.00 H new ATOM 0 HE1 TYR A 31 6.157 -9.484 2.799 1.00 0.00 H new ATOM 0 HE2 TYR A 31 8.738 -10.512 -0.435 1.00 0.00 H new ATOM 0 HH TYR A 31 9.173 -11.029 1.668 1.00 0.00 H new ATOM 511 N PHE A 32 1.942 -7.240 -2.603 1.00 0.00 N ATOM 512 CA PHE A 32 1.163 -6.734 -3.727 1.00 0.00 C ATOM 513 C PHE A 32 1.014 -5.218 -3.648 1.00 0.00 C ATOM 514 O PHE A 32 0.807 -4.661 -2.570 1.00 0.00 O ATOM 515 CB PHE A 32 -0.218 -7.393 -3.756 1.00 0.00 C ATOM 516 CG PHE A 32 -0.173 -8.885 -3.592 1.00 0.00 C ATOM 517 CD1 PHE A 32 -0.111 -9.455 -2.330 1.00 0.00 C ATOM 518 CD2 PHE A 32 -0.194 -9.718 -4.699 1.00 0.00 C ATOM 519 CE1 PHE A 32 -0.071 -10.828 -2.176 1.00 0.00 C ATOM 520 CE2 PHE A 32 -0.154 -11.092 -4.550 1.00 0.00 C ATOM 521 CZ PHE A 32 -0.091 -11.647 -3.287 1.00 0.00 C ATOM 0 H PHE A 32 1.892 -6.665 -1.762 1.00 0.00 H new ATOM 0 HA PHE A 32 1.695 -6.981 -4.645 1.00 0.00 H new ATOM 0 HB2 PHE A 32 -0.832 -6.967 -2.963 1.00 0.00 H new ATOM 0 HB3 PHE A 32 -0.706 -7.154 -4.701 1.00 0.00 H new ATOM 0 HD1 PHE A 32 -0.094 -8.819 -1.457 1.00 0.00 H new ATOM 0 HD2 PHE A 32 -0.242 -9.289 -5.689 1.00 0.00 H new ATOM 0 HE1 PHE A 32 -0.024 -11.260 -1.187 1.00 0.00 H new ATOM 0 HE2 PHE A 32 -0.172 -11.731 -5.421 1.00 0.00 H new ATOM 0 HZ PHE A 32 -0.057 -12.720 -3.169 1.00 0.00 H new ATOM 531 N GLN A 33 1.122 -4.558 -4.796 1.00 0.00 N ATOM 532 CA GLN A 33 1.001 -3.106 -4.856 1.00 0.00 C ATOM 533 C GLN A 33 -0.026 -2.688 -5.903 1.00 0.00 C ATOM 534 O GLN A 33 -0.015 -3.182 -7.030 1.00 0.00 O ATOM 535 CB GLN A 33 2.357 -2.472 -5.174 1.00 0.00 C ATOM 536 CG GLN A 33 2.873 -2.806 -6.564 1.00 0.00 C ATOM 537 CD GLN A 33 4.376 -2.646 -6.682 1.00 0.00 C ATOM 538 OE1 GLN A 33 5.122 -3.625 -6.637 1.00 0.00 O ATOM 539 NE2 GLN A 33 4.830 -1.407 -6.836 1.00 0.00 N ATOM 0 H GLN A 33 1.293 -5.005 -5.697 1.00 0.00 H new ATOM 0 HA GLN A 33 0.663 -2.755 -3.881 1.00 0.00 H new ATOM 0 HB2 GLN A 33 2.275 -1.390 -5.076 1.00 0.00 H new ATOM 0 HB3 GLN A 33 3.086 -2.804 -4.435 1.00 0.00 H new ATOM 0 HG2 GLN A 33 2.600 -3.832 -6.812 1.00 0.00 H new ATOM 0 HG3 GLN A 33 2.384 -2.161 -7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 33 4.176 -0.625 -6.868 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.832 -1.238 -6.922 1.00 0.00 H new ATOM 548 N GLY A 34 -0.915 -1.775 -5.522 1.00 0.00 N ATOM 549 CA GLY A 34 -1.937 -1.307 -6.440 1.00 0.00 C ATOM 550 C GLY A 34 -3.129 -0.706 -5.722 1.00 0.00 C ATOM 551 O GLY A 34 -4.231 -1.253 -5.767 1.00 0.00 O ATOM 0 H GLY A 34 -0.945 -1.352 -4.595 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -1.506 -0.562 -7.109 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -2.272 -2.138 -7.061 1.00 0.00 H new ATOM 555 N SER A 35 -2.909 0.423 -5.055 1.00 0.00 N ATOM 556 CA SER A 35 -3.972 1.096 -4.319 1.00 0.00 C ATOM 557 C SER A 35 -5.068 1.576 -5.266 1.00 0.00 C ATOM 558 O SER A 35 -4.848 1.712 -6.470 1.00 0.00 O ATOM 559 CB SER A 35 -3.407 2.281 -3.533 1.00 0.00 C ATOM 560 OG SER A 35 -2.894 3.273 -4.405 1.00 0.00 O ATOM 0 H SER A 35 -2.004 0.891 -5.010 1.00 0.00 H new ATOM 0 HA SER A 35 -4.406 0.380 -3.621 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.188 2.712 -2.907 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.618 1.936 -2.866 1.00 0.00 H new ATOM 0 HG SER A 35 -2.541 4.020 -3.879 1.00 0.00 H new ATOM 566 N SER A 36 -6.250 1.831 -4.713 1.00 0.00 N ATOM 567 CA SER A 36 -7.382 2.292 -5.508 1.00 0.00 C ATOM 568 C SER A 36 -7.837 3.676 -5.054 1.00 0.00 C ATOM 569 O SER A 36 -9.032 3.957 -4.983 1.00 0.00 O ATOM 570 CB SER A 36 -8.543 1.302 -5.402 1.00 0.00 C ATOM 571 OG SER A 36 -9.460 1.475 -6.469 1.00 0.00 O ATOM 0 H SER A 36 -6.448 1.726 -3.718 1.00 0.00 H new ATOM 0 HA SER A 36 -7.062 2.356 -6.548 1.00 0.00 H new ATOM 0 HB2 SER A 36 -8.158 0.282 -5.411 1.00 0.00 H new ATOM 0 HB3 SER A 36 -9.057 1.440 -4.451 1.00 0.00 H new ATOM 0 HG SER A 36 -9.915 0.626 -6.650 1.00 0.00 H new ATOM 577 N GLY A 37 -6.872 4.538 -4.747 1.00 0.00 N ATOM 578 CA GLY A 37 -7.191 5.883 -4.304 1.00 0.00 C ATOM 579 C GLY A 37 -6.551 6.221 -2.972 1.00 0.00 C ATOM 580 O GLY A 37 -5.403 6.664 -2.922 1.00 0.00 O ATOM 0 H GLY A 37 -5.875 4.329 -4.797 1.00 0.00 H new ATOM 0 HA2 GLY A 37 -6.858 6.599 -5.056 1.00 0.00 H new ATOM 0 HA3 GLY A 37 -8.273 5.988 -4.221 1.00 0.00 H new ATOM 584 N SER A 38 -7.295 6.016 -1.890 1.00 0.00 N ATOM 585 CA SER A 38 -6.795 6.308 -0.552 1.00 0.00 C ATOM 586 C SER A 38 -6.646 5.027 0.264 1.00 0.00 C ATOM 587 O SER A 38 -7.278 4.013 -0.032 1.00 0.00 O ATOM 588 CB SER A 38 -7.735 7.277 0.167 1.00 0.00 C ATOM 589 OG SER A 38 -7.704 8.559 -0.436 1.00 0.00 O ATOM 0 H SER A 38 -8.246 5.649 -1.914 1.00 0.00 H new ATOM 0 HA SER A 38 -5.814 6.772 -0.651 1.00 0.00 H new ATOM 0 HB2 SER A 38 -8.752 6.886 0.145 1.00 0.00 H new ATOM 0 HB3 SER A 38 -7.447 7.358 1.215 1.00 0.00 H new ATOM 0 HG SER A 38 -8.314 9.160 0.041 1.00 0.00 H new ATOM 595 N SER A 39 -5.806 5.082 1.292 1.00 0.00 N ATOM 596 CA SER A 39 -5.570 3.926 2.150 1.00 0.00 C ATOM 597 C SER A 39 -6.886 3.368 2.682 1.00 0.00 C ATOM 598 O SER A 39 -7.075 2.154 2.752 1.00 0.00 O ATOM 599 CB SER A 39 -4.655 4.307 3.315 1.00 0.00 C ATOM 600 OG SER A 39 -4.605 3.273 4.283 1.00 0.00 O ATOM 0 H SER A 39 -5.277 5.915 1.552 1.00 0.00 H new ATOM 0 HA SER A 39 -5.083 3.154 1.554 1.00 0.00 H new ATOM 0 HB2 SER A 39 -3.651 4.509 2.942 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.014 5.226 3.778 1.00 0.00 H new ATOM 0 HG SER A 39 -5.313 3.411 4.946 1.00 0.00 H new ATOM 606 N GLY A 40 -7.794 4.264 3.057 1.00 0.00 N ATOM 607 CA GLY A 40 -9.081 3.843 3.579 1.00 0.00 C ATOM 608 C GLY A 40 -9.848 2.977 2.600 1.00 0.00 C ATOM 609 O GLY A 40 -10.086 1.797 2.859 1.00 0.00 O ATOM 0 H GLY A 40 -7.661 5.274 3.009 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -8.930 3.291 4.507 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -9.676 4.723 3.824 1.00 0.00 H new ATOM 613 N ASP A 41 -10.237 3.563 1.474 1.00 0.00 N ATOM 614 CA ASP A 41 -10.984 2.837 0.452 1.00 0.00 C ATOM 615 C ASP A 41 -10.529 1.383 0.378 1.00 0.00 C ATOM 616 O ASP A 41 -11.349 0.468 0.313 1.00 0.00 O ATOM 617 CB ASP A 41 -10.810 3.509 -0.910 1.00 0.00 C ATOM 618 CG ASP A 41 -11.012 2.544 -2.062 1.00 0.00 C ATOM 619 OD1 ASP A 41 -10.233 1.574 -2.166 1.00 0.00 O ATOM 620 OD2 ASP A 41 -11.950 2.758 -2.859 1.00 0.00 O ATOM 0 H ASP A 41 -10.048 4.539 1.245 1.00 0.00 H new ATOM 0 HA ASP A 41 -12.039 2.855 0.725 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -11.520 4.331 -1.000 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -9.812 3.942 -0.973 1.00 0.00 H new ATOM 625 N MET A 42 -9.215 1.178 0.386 1.00 0.00 N ATOM 626 CA MET A 42 -8.652 -0.166 0.319 1.00 0.00 C ATOM 627 C MET A 42 -9.488 -1.147 1.133 1.00 0.00 C ATOM 628 O MET A 42 -9.838 -2.225 0.653 1.00 0.00 O ATOM 629 CB MET A 42 -7.209 -0.162 0.828 1.00 0.00 C ATOM 630 CG MET A 42 -6.290 0.760 0.044 1.00 0.00 C ATOM 631 SD MET A 42 -6.142 0.284 -1.689 1.00 0.00 S ATOM 632 CE MET A 42 -5.455 -1.362 -1.531 1.00 0.00 C ATOM 0 H MET A 42 -8.522 1.924 0.438 1.00 0.00 H new ATOM 0 HA MET A 42 -8.662 -0.486 -0.723 1.00 0.00 H new ATOM 0 HB2 MET A 42 -7.203 0.138 1.876 1.00 0.00 H new ATOM 0 HB3 MET A 42 -6.814 -1.177 0.785 1.00 0.00 H new ATOM 0 HG2 MET A 42 -6.667 1.781 0.105 1.00 0.00 H new ATOM 0 HG3 MET A 42 -5.301 0.757 0.503 1.00 0.00 H new ATOM 0 HE1 MET A 42 -4.966 -1.643 -2.464 1.00 0.00 H new ATOM 0 HE2 MET A 42 -4.726 -1.376 -0.721 1.00 0.00 H new ATOM 0 HE3 MET A 42 -6.254 -2.070 -1.312 1.00 0.00 H new ATOM 642 N MET A 43 -9.805 -0.767 2.366 1.00 0.00 N ATOM 643 CA MET A 43 -10.602 -1.615 3.246 1.00 0.00 C ATOM 644 C MET A 43 -11.937 -1.967 2.598 1.00 0.00 C ATOM 645 O MET A 43 -12.381 -3.114 2.655 1.00 0.00 O ATOM 646 CB MET A 43 -10.841 -0.915 4.585 1.00 0.00 C ATOM 647 CG MET A 43 -9.600 -0.240 5.148 1.00 0.00 C ATOM 648 SD MET A 43 -9.625 -0.132 6.948 1.00 0.00 S ATOM 649 CE MET A 43 -9.437 -1.857 7.393 1.00 0.00 C ATOM 0 H MET A 43 -9.523 0.122 2.779 1.00 0.00 H new ATOM 0 HA MET A 43 -10.048 -2.537 3.420 1.00 0.00 H new ATOM 0 HB2 MET A 43 -11.626 -0.169 4.461 1.00 0.00 H new ATOM 0 HB3 MET A 43 -11.207 -1.645 5.307 1.00 0.00 H new ATOM 0 HG2 MET A 43 -8.715 -0.794 4.833 1.00 0.00 H new ATOM 0 HG3 MET A 43 -9.514 0.763 4.729 1.00 0.00 H new ATOM 0 HE1 MET A 43 -9.274 -1.940 8.468 1.00 0.00 H new ATOM 0 HE2 MET A 43 -10.340 -2.404 7.120 1.00 0.00 H new ATOM 0 HE3 MET A 43 -8.583 -2.279 6.863 1.00 0.00 H new ATOM 659 N ARG A 44 -12.572 -0.975 1.983 1.00 0.00 N ATOM 660 CA ARG A 44 -13.857 -1.181 1.327 1.00 0.00 C ATOM 661 C ARG A 44 -13.695 -2.031 0.070 1.00 0.00 C ATOM 662 O ARG A 44 -14.477 -2.949 -0.175 1.00 0.00 O ATOM 663 CB ARG A 44 -14.492 0.164 0.967 1.00 0.00 C ATOM 664 CG ARG A 44 -15.142 0.865 2.149 1.00 0.00 C ATOM 665 CD ARG A 44 -15.076 2.378 2.004 1.00 0.00 C ATOM 666 NE ARG A 44 -15.766 2.844 0.805 1.00 0.00 N ATOM 667 CZ ARG A 44 -17.085 2.796 0.650 1.00 0.00 C ATOM 668 NH1 ARG A 44 -17.851 2.307 1.615 1.00 0.00 N ATOM 669 NH2 ARG A 44 -17.639 3.240 -0.470 1.00 0.00 N ATOM 0 H ARG A 44 -12.217 -0.020 1.925 1.00 0.00 H new ATOM 0 HA ARG A 44 -14.510 -1.709 2.021 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -13.728 0.816 0.544 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -15.241 0.007 0.191 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -16.183 0.551 2.232 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -14.644 0.565 3.071 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -15.520 2.846 2.883 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -14.033 2.693 1.968 1.00 0.00 H new ATOM 0 HE ARG A 44 -15.205 3.228 0.044 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -17.428 1.967 2.479 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -18.863 2.271 1.494 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -17.053 3.619 -1.214 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -18.651 3.203 -0.588 1.00 0.00 H new ATOM 683 N GLU A 45 -12.676 -1.717 -0.724 1.00 0.00 N ATOM 684 CA GLU A 45 -12.413 -2.452 -1.955 1.00 0.00 C ATOM 685 C GLU A 45 -12.091 -3.914 -1.659 1.00 0.00 C ATOM 686 O GLU A 45 -12.785 -4.819 -2.124 1.00 0.00 O ATOM 687 CB GLU A 45 -11.255 -1.809 -2.722 1.00 0.00 C ATOM 688 CG GLU A 45 -11.071 -2.363 -4.124 1.00 0.00 C ATOM 689 CD GLU A 45 -9.881 -1.755 -4.840 1.00 0.00 C ATOM 690 OE1 GLU A 45 -8.801 -1.659 -4.221 1.00 0.00 O ATOM 691 OE2 GLU A 45 -10.029 -1.376 -6.021 1.00 0.00 O ATOM 0 H GLU A 45 -12.020 -0.959 -0.537 1.00 0.00 H new ATOM 0 HA GLU A 45 -13.313 -2.413 -2.569 1.00 0.00 H new ATOM 0 HB2 GLU A 45 -11.424 -0.734 -2.785 1.00 0.00 H new ATOM 0 HB3 GLU A 45 -10.333 -1.954 -2.159 1.00 0.00 H new ATOM 0 HG2 GLU A 45 -10.944 -3.444 -4.070 1.00 0.00 H new ATOM 0 HG3 GLU A 45 -11.974 -2.177 -4.705 1.00 0.00 H new ATOM 698 N ILE A 46 -11.035 -4.136 -0.884 1.00 0.00 N ATOM 699 CA ILE A 46 -10.622 -5.487 -0.525 1.00 0.00 C ATOM 700 C ILE A 46 -11.830 -6.378 -0.257 1.00 0.00 C ATOM 701 O ILE A 46 -12.043 -7.376 -0.946 1.00 0.00 O ATOM 702 CB ILE A 46 -9.713 -5.486 0.718 1.00 0.00 C ATOM 703 CG1 ILE A 46 -8.452 -4.660 0.454 1.00 0.00 C ATOM 704 CG2 ILE A 46 -9.347 -6.910 1.107 1.00 0.00 C ATOM 705 CD1 ILE A 46 -7.882 -4.015 1.698 1.00 0.00 C ATOM 0 H ILE A 46 -10.450 -3.398 -0.493 1.00 0.00 H new ATOM 0 HA ILE A 46 -10.063 -5.882 -1.373 1.00 0.00 H new ATOM 0 HB ILE A 46 -10.256 -5.031 1.547 1.00 0.00 H new ATOM 0 HG12 ILE A 46 -7.693 -5.303 0.007 1.00 0.00 H new ATOM 0 HG13 ILE A 46 -8.682 -3.883 -0.276 1.00 0.00 H new ATOM 0 HG21 ILE A 46 -8.704 -6.893 1.987 1.00 0.00 H new ATOM 0 HG22 ILE A 46 -10.255 -7.471 1.331 1.00 0.00 H new ATOM 0 HG23 ILE A 46 -8.820 -7.388 0.282 1.00 0.00 H new ATOM 0 HD11 ILE A 46 -6.990 -3.446 1.437 1.00 0.00 H new ATOM 0 HD12 ILE A 46 -8.624 -3.346 2.134 1.00 0.00 H new ATOM 0 HD13 ILE A 46 -7.620 -4.788 2.421 1.00 0.00 H new ATOM 717 N ARG A 47 -12.619 -6.010 0.747 1.00 0.00 N ATOM 718 CA ARG A 47 -13.807 -6.776 1.105 1.00 0.00 C ATOM 719 C ARG A 47 -14.587 -7.185 -0.141 1.00 0.00 C ATOM 720 O ARG A 47 -14.936 -8.353 -0.313 1.00 0.00 O ATOM 721 CB ARG A 47 -14.704 -5.959 2.037 1.00 0.00 C ATOM 722 CG ARG A 47 -14.064 -5.646 3.379 1.00 0.00 C ATOM 723 CD ARG A 47 -14.738 -4.463 4.056 1.00 0.00 C ATOM 724 NE ARG A 47 -16.159 -4.704 4.292 1.00 0.00 N ATOM 725 CZ ARG A 47 -16.979 -3.803 4.823 1.00 0.00 C ATOM 726 NH1 ARG A 47 -16.521 -2.609 5.171 1.00 0.00 N ATOM 727 NH2 ARG A 47 -18.260 -4.097 5.006 1.00 0.00 N ATOM 0 H ARG A 47 -12.457 -5.187 1.327 1.00 0.00 H new ATOM 0 HA ARG A 47 -13.484 -7.680 1.622 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -14.970 -5.024 1.544 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -15.632 -6.505 2.205 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -14.127 -6.521 4.026 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -13.005 -5.430 3.237 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -14.243 -4.258 5.005 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -14.619 -3.574 3.436 1.00 0.00 H new ATOM 0 HE ARG A 47 -16.543 -5.613 4.035 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -15.537 -2.380 5.031 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -17.153 -1.919 5.578 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -18.616 -5.015 4.739 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -18.889 -3.405 5.414 1.00 0.00 H new ATOM 741 N LYS A 48 -14.858 -6.215 -1.008 1.00 0.00 N ATOM 742 CA LYS A 48 -15.596 -6.472 -2.238 1.00 0.00 C ATOM 743 C LYS A 48 -15.192 -7.812 -2.845 1.00 0.00 C ATOM 744 O LYS A 48 -16.043 -8.598 -3.262 1.00 0.00 O ATOM 745 CB LYS A 48 -15.351 -5.349 -3.249 1.00 0.00 C ATOM 746 CG LYS A 48 -16.303 -5.376 -4.431 1.00 0.00 C ATOM 747 CD LYS A 48 -15.767 -6.241 -5.560 1.00 0.00 C ATOM 748 CE LYS A 48 -14.797 -5.469 -6.441 1.00 0.00 C ATOM 749 NZ LYS A 48 -13.449 -5.358 -5.817 1.00 0.00 N ATOM 0 H LYS A 48 -14.577 -5.243 -0.881 1.00 0.00 H new ATOM 0 HA LYS A 48 -16.658 -6.508 -1.994 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -15.442 -4.389 -2.742 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -14.327 -5.419 -3.616 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -17.273 -5.756 -4.110 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -16.463 -4.361 -4.794 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -15.266 -7.115 -5.144 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -16.597 -6.607 -6.165 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -14.710 -5.966 -7.407 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -15.193 -4.471 -6.630 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -12.725 -5.311 -6.562 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -13.405 -4.496 -5.236 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -13.275 -6.189 -5.217 1.00 0.00 H new ATOM 763 N VAL A 49 -13.888 -8.068 -2.890 1.00 0.00 N ATOM 764 CA VAL A 49 -13.372 -9.314 -3.443 1.00 0.00 C ATOM 765 C VAL A 49 -13.737 -10.501 -2.558 1.00 0.00 C ATOM 766 O VAL A 49 -14.247 -11.514 -3.039 1.00 0.00 O ATOM 767 CB VAL A 49 -11.841 -9.263 -3.608 1.00 0.00 C ATOM 768 CG1 VAL A 49 -11.361 -10.406 -4.491 1.00 0.00 C ATOM 769 CG2 VAL A 49 -11.412 -7.920 -4.180 1.00 0.00 C ATOM 0 H VAL A 49 -13.170 -7.428 -2.550 1.00 0.00 H new ATOM 0 HA VAL A 49 -13.832 -9.440 -4.423 1.00 0.00 H new ATOM 0 HB VAL A 49 -11.382 -9.377 -2.626 1.00 0.00 H new ATOM 0 HG11 VAL A 49 -10.277 -10.354 -4.596 1.00 0.00 H new ATOM 0 HG12 VAL A 49 -11.636 -11.358 -4.036 1.00 0.00 H new ATOM 0 HG13 VAL A 49 -11.825 -10.326 -5.474 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -10.328 -7.901 -4.290 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -11.878 -7.774 -5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -11.722 -7.122 -3.506 1.00 0.00 H new ATOM 779 N LEU A 50 -13.474 -10.369 -1.263 1.00 0.00 N ATOM 780 CA LEU A 50 -13.776 -11.431 -0.309 1.00 0.00 C ATOM 781 C LEU A 50 -15.222 -11.896 -0.451 1.00 0.00 C ATOM 782 O LEU A 50 -15.484 -13.063 -0.739 1.00 0.00 O ATOM 783 CB LEU A 50 -13.522 -10.947 1.120 1.00 0.00 C ATOM 784 CG LEU A 50 -12.155 -10.313 1.381 1.00 0.00 C ATOM 785 CD1 LEU A 50 -12.160 -9.559 2.701 1.00 0.00 C ATOM 786 CD2 LEU A 50 -11.065 -11.375 1.376 1.00 0.00 C ATOM 0 H LEU A 50 -13.052 -9.538 -0.849 1.00 0.00 H new ATOM 0 HA LEU A 50 -13.120 -12.275 -0.523 1.00 0.00 H new ATOM 0 HB2 LEU A 50 -14.292 -10.221 1.379 1.00 0.00 H new ATOM 0 HB3 LEU A 50 -13.643 -11.794 1.796 1.00 0.00 H new ATOM 0 HG LEU A 50 -11.947 -9.603 0.581 1.00 0.00 H new ATOM 0 HD11 LEU A 50 -11.179 -9.115 2.870 1.00 0.00 H new ATOM 0 HD12 LEU A 50 -12.914 -8.772 2.668 1.00 0.00 H new ATOM 0 HD13 LEU A 50 -12.391 -10.249 3.513 1.00 0.00 H new ATOM 0 HD21 LEU A 50 -10.099 -10.906 1.563 1.00 0.00 H new ATOM 0 HD22 LEU A 50 -11.269 -12.109 2.155 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -11.045 -11.871 0.406 1.00 0.00 H new ATOM 798 N GLY A 51 -16.158 -10.973 -0.249 1.00 0.00 N ATOM 799 CA GLY A 51 -17.565 -11.307 -0.361 1.00 0.00 C ATOM 800 C GLY A 51 -17.896 -11.989 -1.674 1.00 0.00 C ATOM 801 O GLY A 51 -18.711 -12.911 -1.714 1.00 0.00 O ATOM 0 H GLY A 51 -15.966 -10.000 -0.010 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -17.847 -11.960 0.465 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -18.160 -10.398 -0.267 1.00 0.00 H new ATOM 805 N ALA A 52 -17.265 -11.535 -2.751 1.00 0.00 N ATOM 806 CA ALA A 52 -17.496 -12.108 -4.071 1.00 0.00 C ATOM 807 C ALA A 52 -17.182 -13.600 -4.085 1.00 0.00 C ATOM 808 O ALA A 52 -17.927 -14.395 -4.655 1.00 0.00 O ATOM 809 CB ALA A 52 -16.663 -11.381 -5.116 1.00 0.00 C ATOM 0 H ALA A 52 -16.589 -10.771 -2.735 1.00 0.00 H new ATOM 0 HA ALA A 52 -18.551 -11.984 -4.314 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -16.846 -11.820 -6.097 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -16.940 -10.327 -5.133 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -15.606 -11.475 -4.868 1.00 0.00 H new ATOM 815 N ASN A 53 -16.072 -13.972 -3.454 1.00 0.00 N ATOM 816 CA ASN A 53 -15.658 -15.369 -3.396 1.00 0.00 C ATOM 817 C ASN A 53 -16.119 -16.018 -2.094 1.00 0.00 C ATOM 818 O ASN A 53 -15.376 -16.774 -1.469 1.00 0.00 O ATOM 819 CB ASN A 53 -14.138 -15.478 -3.523 1.00 0.00 C ATOM 820 CG ASN A 53 -13.677 -15.484 -4.968 1.00 0.00 C ATOM 821 OD1 ASN A 53 -13.369 -16.536 -5.528 1.00 0.00 O ATOM 822 ND2 ASN A 53 -13.628 -14.305 -5.578 1.00 0.00 N ATOM 0 H ASN A 53 -15.444 -13.326 -2.976 1.00 0.00 H new ATOM 0 HA ASN A 53 -16.123 -15.895 -4.229 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -13.672 -14.644 -2.999 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -13.800 -16.391 -3.033 1.00 0.00 H new ATOM 0 HD21 ASN A 53 -13.326 -14.246 -6.550 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -13.893 -13.459 -5.074 1.00 0.00 H new ATOM 829 N ASN A 54 -17.350 -15.719 -1.693 1.00 0.00 N ATOM 830 CA ASN A 54 -17.911 -16.274 -0.466 1.00 0.00 C ATOM 831 C ASN A 54 -16.859 -16.323 0.638 1.00 0.00 C ATOM 832 O ASN A 54 -16.769 -17.301 1.380 1.00 0.00 O ATOM 833 CB ASN A 54 -18.463 -17.677 -0.722 1.00 0.00 C ATOM 834 CG ASN A 54 -19.272 -17.755 -2.003 1.00 0.00 C ATOM 835 OD1 ASN A 54 -20.499 -17.666 -1.982 1.00 0.00 O ATOM 836 ND2 ASN A 54 -18.584 -17.923 -3.127 1.00 0.00 N ATOM 0 H ASN A 54 -17.978 -15.095 -2.200 1.00 0.00 H new ATOM 0 HA ASN A 54 -18.724 -15.625 -0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -17.637 -18.386 -0.774 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -19.089 -17.977 0.119 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -19.073 -17.983 -4.020 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -17.567 -17.992 -3.097 1.00 0.00 H new ATOM 843 N CYS A 55 -16.068 -15.261 0.741 1.00 0.00 N ATOM 844 CA CYS A 55 -15.022 -15.182 1.755 1.00 0.00 C ATOM 845 C CYS A 55 -15.509 -14.415 2.980 1.00 0.00 C ATOM 846 O CYS A 55 -16.307 -13.484 2.866 1.00 0.00 O ATOM 847 CB CYS A 55 -13.775 -14.510 1.180 1.00 0.00 C ATOM 848 SG CYS A 55 -13.039 -15.391 -0.217 1.00 0.00 S ATOM 0 H CYS A 55 -16.131 -14.443 0.135 1.00 0.00 H new ATOM 0 HA CYS A 55 -14.770 -16.197 2.061 1.00 0.00 H new ATOM 0 HB2 CYS A 55 -14.033 -13.500 0.863 1.00 0.00 H new ATOM 0 HB3 CYS A 55 -13.030 -14.416 1.970 1.00 0.00 H new ATOM 0 HG CYS A 55 -13.961 -16.062 -0.841 1.00 0.00 H new ATOM 854 N ASP A 56 -15.025 -14.813 4.152 1.00 0.00 N ATOM 855 CA ASP A 56 -15.412 -14.163 5.399 1.00 0.00 C ATOM 856 C ASP A 56 -14.317 -13.216 5.880 1.00 0.00 C ATOM 857 O ASP A 56 -13.133 -13.553 5.849 1.00 0.00 O ATOM 858 CB ASP A 56 -15.707 -15.210 6.474 1.00 0.00 C ATOM 859 CG ASP A 56 -16.372 -16.449 5.908 1.00 0.00 C ATOM 860 OD1 ASP A 56 -17.238 -16.305 5.020 1.00 0.00 O ATOM 861 OD2 ASP A 56 -16.026 -17.563 6.353 1.00 0.00 O ATOM 0 H ASP A 56 -14.364 -15.582 4.264 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.315 -13.581 5.213 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.777 -15.493 6.966 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -16.351 -14.772 7.237 1.00 0.00 H new ATOM 866 N TYR A 57 -14.720 -12.031 6.324 1.00 0.00 N ATOM 867 CA TYR A 57 -13.773 -11.033 6.808 1.00 0.00 C ATOM 868 C TYR A 57 -14.281 -10.377 8.088 1.00 0.00 C ATOM 869 O TYR A 57 -15.468 -10.079 8.216 1.00 0.00 O ATOM 870 CB TYR A 57 -13.530 -9.968 5.737 1.00 0.00 C ATOM 871 CG TYR A 57 -14.801 -9.386 5.163 1.00 0.00 C ATOM 872 CD1 TYR A 57 -15.482 -10.029 4.137 1.00 0.00 C ATOM 873 CD2 TYR A 57 -15.322 -8.192 5.646 1.00 0.00 C ATOM 874 CE1 TYR A 57 -16.643 -9.500 3.608 1.00 0.00 C ATOM 875 CE2 TYR A 57 -16.483 -7.656 5.125 1.00 0.00 C ATOM 876 CZ TYR A 57 -17.140 -8.313 4.106 1.00 0.00 C ATOM 877 OH TYR A 57 -18.297 -7.784 3.583 1.00 0.00 O ATOM 0 H TYR A 57 -15.696 -11.738 6.359 1.00 0.00 H new ATOM 0 HA TYR A 57 -12.832 -11.538 7.028 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -12.933 -9.163 6.166 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -12.943 -10.405 4.929 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -15.097 -10.959 3.746 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.810 -7.674 6.443 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -17.159 -10.012 2.809 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -16.874 -6.727 5.513 1.00 0.00 H new ATOM 0 HH TYR A 57 -18.512 -6.947 4.044 1.00 0.00 H new ATOM 887 N GLU A 58 -13.372 -10.154 9.032 1.00 0.00 N ATOM 888 CA GLU A 58 -13.727 -9.533 10.303 1.00 0.00 C ATOM 889 C GLU A 58 -12.730 -8.438 10.671 1.00 0.00 C ATOM 890 O GLU A 58 -11.612 -8.722 11.099 1.00 0.00 O ATOM 891 CB GLU A 58 -13.779 -10.585 11.413 1.00 0.00 C ATOM 892 CG GLU A 58 -12.668 -11.618 11.326 1.00 0.00 C ATOM 893 CD GLU A 58 -12.836 -12.741 12.331 1.00 0.00 C ATOM 894 OE1 GLU A 58 -13.623 -12.571 13.285 1.00 0.00 O ATOM 895 OE2 GLU A 58 -12.179 -13.790 12.162 1.00 0.00 O ATOM 0 H GLU A 58 -12.385 -10.394 8.941 1.00 0.00 H new ATOM 0 HA GLU A 58 -14.713 -9.081 10.194 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -13.723 -10.084 12.379 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -14.742 -11.095 11.374 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -12.644 -12.036 10.320 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -11.708 -11.129 11.491 1.00 0.00 H new ATOM 902 N GLN A 59 -13.144 -7.187 10.499 1.00 0.00 N ATOM 903 CA GLN A 59 -12.286 -6.050 10.812 1.00 0.00 C ATOM 904 C GLN A 59 -11.873 -6.067 12.280 1.00 0.00 C ATOM 905 O GLN A 59 -12.684 -5.795 13.166 1.00 0.00 O ATOM 906 CB GLN A 59 -13.004 -4.739 10.487 1.00 0.00 C ATOM 907 CG GLN A 59 -12.067 -3.624 10.052 1.00 0.00 C ATOM 908 CD GLN A 59 -12.586 -2.248 10.421 1.00 0.00 C ATOM 909 OE1 GLN A 59 -13.718 -2.102 10.883 1.00 0.00 O ATOM 910 NE2 GLN A 59 -11.758 -1.229 10.220 1.00 0.00 N ATOM 0 H GLN A 59 -14.067 -6.935 10.145 1.00 0.00 H new ATOM 0 HA GLN A 59 -11.387 -6.126 10.200 1.00 0.00 H new ATOM 0 HB2 GLN A 59 -13.732 -4.920 9.696 1.00 0.00 H new ATOM 0 HB3 GLN A 59 -13.561 -4.412 11.365 1.00 0.00 H new ATOM 0 HG2 GLN A 59 -11.090 -3.775 10.512 1.00 0.00 H new ATOM 0 HG3 GLN A 59 -11.923 -3.676 8.973 1.00 0.00 H new ATOM 0 HE21 GLN A 59 -10.828 -1.396 9.835 1.00 0.00 H new ATOM 0 HE22 GLN A 59 -12.052 -0.280 10.451 1.00 0.00 H new ATOM 919 N ARG A 60 -10.608 -6.388 12.530 1.00 0.00 N ATOM 920 CA ARG A 60 -10.088 -6.442 13.891 1.00 0.00 C ATOM 921 C ARG A 60 -9.611 -5.066 14.346 1.00 0.00 C ATOM 922 O ARG A 60 -9.971 -4.600 15.426 1.00 0.00 O ATOM 923 CB ARG A 60 -8.939 -7.448 13.981 1.00 0.00 C ATOM 924 CG ARG A 60 -9.399 -8.896 14.031 1.00 0.00 C ATOM 925 CD ARG A 60 -9.803 -9.303 15.439 1.00 0.00 C ATOM 926 NE ARG A 60 -9.874 -10.754 15.590 1.00 0.00 N ATOM 927 CZ ARG A 60 -9.787 -11.376 16.761 1.00 0.00 C ATOM 928 NH1 ARG A 60 -9.628 -10.678 17.876 1.00 0.00 N ATOM 929 NH2 ARG A 60 -9.861 -12.700 16.817 1.00 0.00 N ATOM 0 H ARG A 60 -9.924 -6.615 11.808 1.00 0.00 H new ATOM 0 HA ARG A 60 -10.895 -6.763 14.549 1.00 0.00 H new ATOM 0 HB2 ARG A 60 -8.282 -7.314 13.122 1.00 0.00 H new ATOM 0 HB3 ARG A 60 -8.348 -7.233 14.871 1.00 0.00 H new ATOM 0 HG2 ARG A 60 -10.243 -9.035 13.355 1.00 0.00 H new ATOM 0 HG3 ARG A 60 -8.598 -9.546 13.679 1.00 0.00 H new ATOM 0 HD2 ARG A 60 -9.085 -8.899 16.153 1.00 0.00 H new ATOM 0 HD3 ARG A 60 -10.772 -8.866 15.679 1.00 0.00 H new ATOM 0 HE ARG A 60 -9.997 -11.321 14.751 1.00 0.00 H new ATOM 0 HH11 ARG A 60 -9.572 -9.660 17.837 1.00 0.00 H new ATOM 0 HH12 ARG A 60 -9.562 -11.158 18.773 1.00 0.00 H new ATOM 0 HH21 ARG A 60 -9.985 -13.241 15.961 1.00 0.00 H new ATOM 0 HH22 ARG A 60 -9.794 -13.177 17.716 1.00 0.00 H new ATOM 943 N GLU A 61 -8.798 -4.422 13.513 1.00 0.00 N ATOM 944 CA GLU A 61 -8.271 -3.101 13.831 1.00 0.00 C ATOM 945 C GLU A 61 -8.793 -2.056 12.849 1.00 0.00 C ATOM 946 O GLU A 61 -9.625 -2.355 11.993 1.00 0.00 O ATOM 947 CB GLU A 61 -6.741 -3.118 13.809 1.00 0.00 C ATOM 948 CG GLU A 61 -6.129 -4.072 14.820 1.00 0.00 C ATOM 949 CD GLU A 61 -6.193 -3.539 16.239 1.00 0.00 C ATOM 950 OE1 GLU A 61 -7.274 -3.633 16.858 1.00 0.00 O ATOM 951 OE2 GLU A 61 -5.165 -3.028 16.728 1.00 0.00 O ATOM 0 H GLU A 61 -8.491 -4.794 12.614 1.00 0.00 H new ATOM 0 HA GLU A 61 -8.610 -2.835 14.832 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -6.403 -3.395 12.810 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -6.372 -2.111 14.003 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -6.649 -5.029 14.772 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -5.089 -4.260 14.553 1.00 0.00 H new ATOM 958 N ARG A 62 -8.298 -0.829 12.980 1.00 0.00 N ATOM 959 CA ARG A 62 -8.714 0.260 12.106 1.00 0.00 C ATOM 960 C ARG A 62 -8.376 -0.050 10.651 1.00 0.00 C ATOM 961 O ARG A 62 -9.255 -0.075 9.789 1.00 0.00 O ATOM 962 CB ARG A 62 -8.043 1.568 12.530 1.00 0.00 C ATOM 963 CG ARG A 62 -8.219 2.696 11.526 1.00 0.00 C ATOM 964 CD ARG A 62 -8.187 4.056 12.206 1.00 0.00 C ATOM 965 NE ARG A 62 -6.823 4.545 12.388 1.00 0.00 N ATOM 966 CZ ARG A 62 -6.512 5.831 12.500 1.00 0.00 C ATOM 967 NH1 ARG A 62 -7.463 6.753 12.449 1.00 0.00 N ATOM 968 NH2 ARG A 62 -5.247 6.198 12.664 1.00 0.00 N ATOM 0 H ARG A 62 -7.608 -0.565 13.684 1.00 0.00 H new ATOM 0 HA ARG A 62 -9.795 0.369 12.194 1.00 0.00 H new ATOM 0 HB2 ARG A 62 -8.451 1.881 13.491 1.00 0.00 H new ATOM 0 HB3 ARG A 62 -6.978 1.389 12.679 1.00 0.00 H new ATOM 0 HG2 ARG A 62 -7.429 2.644 10.776 1.00 0.00 H new ATOM 0 HG3 ARG A 62 -9.166 2.573 11.001 1.00 0.00 H new ATOM 0 HD2 ARG A 62 -8.752 4.773 11.610 1.00 0.00 H new ATOM 0 HD3 ARG A 62 -8.680 3.988 13.176 1.00 0.00 H new ATOM 0 HE ARG A 62 -6.068 3.861 12.431 1.00 0.00 H new ATOM 0 HH11 ARG A 62 -8.436 6.475 12.323 1.00 0.00 H new ATOM 0 HH12 ARG A 62 -7.221 7.740 12.535 1.00 0.00 H new ATOM 0 HH21 ARG A 62 -4.512 5.492 12.704 1.00 0.00 H new ATOM 0 HH22 ARG A 62 -5.010 7.186 12.750 1.00 0.00 H new ATOM 982 N PHE A 63 -7.095 -0.285 10.384 1.00 0.00 N ATOM 983 CA PHE A 63 -6.639 -0.592 9.033 1.00 0.00 C ATOM 984 C PHE A 63 -6.231 -2.057 8.917 1.00 0.00 C ATOM 985 O PHE A 63 -5.152 -2.375 8.415 1.00 0.00 O ATOM 986 CB PHE A 63 -5.463 0.309 8.652 1.00 0.00 C ATOM 987 CG PHE A 63 -5.870 1.712 8.305 1.00 0.00 C ATOM 988 CD1 PHE A 63 -6.437 1.998 7.073 1.00 0.00 C ATOM 989 CD2 PHE A 63 -5.686 2.745 9.210 1.00 0.00 C ATOM 990 CE1 PHE A 63 -6.812 3.289 6.751 1.00 0.00 C ATOM 991 CE2 PHE A 63 -6.059 4.038 8.893 1.00 0.00 C ATOM 992 CZ PHE A 63 -6.624 4.310 7.662 1.00 0.00 C ATOM 0 H PHE A 63 -6.355 -0.269 11.085 1.00 0.00 H new ATOM 0 HA PHE A 63 -7.465 -0.408 8.346 1.00 0.00 H new ATOM 0 HB2 PHE A 63 -4.755 0.339 9.481 1.00 0.00 H new ATOM 0 HB3 PHE A 63 -4.940 -0.130 7.802 1.00 0.00 H new ATOM 0 HD1 PHE A 63 -6.587 1.204 6.357 1.00 0.00 H new ATOM 0 HD2 PHE A 63 -5.246 2.538 10.174 1.00 0.00 H new ATOM 0 HE1 PHE A 63 -7.252 3.499 5.787 1.00 0.00 H new ATOM 0 HE2 PHE A 63 -5.909 4.834 9.607 1.00 0.00 H new ATOM 0 HZ PHE A 63 -6.918 5.319 7.413 1.00 0.00 H new ATOM 1002 N LEU A 64 -7.100 -2.946 9.385 1.00 0.00 N ATOM 1003 CA LEU A 64 -6.832 -4.379 9.335 1.00 0.00 C ATOM 1004 C LEU A 64 -8.101 -5.160 9.009 1.00 0.00 C ATOM 1005 O LEU A 64 -9.210 -4.717 9.310 1.00 0.00 O ATOM 1006 CB LEU A 64 -6.253 -4.857 10.668 1.00 0.00 C ATOM 1007 CG LEU A 64 -5.733 -6.294 10.697 1.00 0.00 C ATOM 1008 CD1 LEU A 64 -4.437 -6.410 9.910 1.00 0.00 C ATOM 1009 CD2 LEU A 64 -5.531 -6.759 12.132 1.00 0.00 C ATOM 0 H LEU A 64 -7.997 -2.700 9.804 1.00 0.00 H new ATOM 0 HA LEU A 64 -6.104 -4.559 8.544 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -5.436 -4.191 10.946 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -7.023 -4.755 11.433 1.00 0.00 H new ATOM 0 HG LEU A 64 -6.477 -6.938 10.228 1.00 0.00 H new ATOM 0 HD11 LEU A 64 -4.083 -7.440 9.942 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -4.613 -6.119 8.874 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -3.685 -5.754 10.348 1.00 0.00 H new ATOM 0 HD21 LEU A 64 -5.161 -7.784 12.134 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -4.807 -6.111 12.626 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -6.480 -6.716 12.666 1.00 0.00 H new ATOM 1021 N LEU A 65 -7.931 -6.326 8.395 1.00 0.00 N ATOM 1022 CA LEU A 65 -9.062 -7.171 8.031 1.00 0.00 C ATOM 1023 C LEU A 65 -8.656 -8.641 7.997 1.00 0.00 C ATOM 1024 O LEU A 65 -7.710 -9.018 7.305 1.00 0.00 O ATOM 1025 CB LEU A 65 -9.619 -6.753 6.669 1.00 0.00 C ATOM 1026 CG LEU A 65 -10.640 -5.614 6.682 1.00 0.00 C ATOM 1027 CD1 LEU A 65 -10.775 -5.003 5.296 1.00 0.00 C ATOM 1028 CD2 LEU A 65 -11.988 -6.113 7.181 1.00 0.00 C ATOM 0 H LEU A 65 -7.020 -6.707 8.139 1.00 0.00 H new ATOM 0 HA LEU A 65 -9.836 -7.044 8.788 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -8.785 -6.459 6.032 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -10.082 -7.624 6.205 1.00 0.00 H new ATOM 0 HG LEU A 65 -10.286 -4.841 7.364 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -11.505 -4.194 5.324 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -9.810 -4.609 4.976 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -11.106 -5.767 4.592 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -12.702 -5.290 7.184 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -12.349 -6.904 6.524 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -11.880 -6.503 8.193 1.00 0.00 H new ATOM 1040 N PHE A 66 -9.378 -9.466 8.747 1.00 0.00 N ATOM 1041 CA PHE A 66 -9.094 -10.896 8.802 1.00 0.00 C ATOM 1042 C PHE A 66 -9.614 -11.602 7.554 1.00 0.00 C ATOM 1043 O PHE A 66 -10.777 -12.004 7.494 1.00 0.00 O ATOM 1044 CB PHE A 66 -9.723 -11.515 10.052 1.00 0.00 C ATOM 1045 CG PHE A 66 -9.087 -12.812 10.464 1.00 0.00 C ATOM 1046 CD1 PHE A 66 -7.797 -12.836 10.969 1.00 0.00 C ATOM 1047 CD2 PHE A 66 -9.779 -14.006 10.346 1.00 0.00 C ATOM 1048 CE1 PHE A 66 -7.210 -14.028 11.348 1.00 0.00 C ATOM 1049 CE2 PHE A 66 -9.197 -15.201 10.724 1.00 0.00 C ATOM 1050 CZ PHE A 66 -7.911 -15.212 11.226 1.00 0.00 C ATOM 0 H PHE A 66 -10.164 -9.170 9.325 1.00 0.00 H new ATOM 0 HA PHE A 66 -8.013 -11.025 8.847 1.00 0.00 H new ATOM 0 HB2 PHE A 66 -9.648 -10.805 10.876 1.00 0.00 H new ATOM 0 HB3 PHE A 66 -10.785 -11.682 9.870 1.00 0.00 H new ATOM 0 HD1 PHE A 66 -7.244 -11.913 11.067 1.00 0.00 H new ATOM 0 HD2 PHE A 66 -10.785 -14.003 9.954 1.00 0.00 H new ATOM 0 HE1 PHE A 66 -6.203 -14.034 11.739 1.00 0.00 H new ATOM 0 HE2 PHE A 66 -9.747 -16.125 10.627 1.00 0.00 H new ATOM 0 HZ PHE A 66 -7.454 -16.144 11.523 1.00 0.00 H new ATOM 1060 N CYS A 67 -8.745 -11.749 6.560 1.00 0.00 N ATOM 1061 CA CYS A 67 -9.116 -12.406 5.311 1.00 0.00 C ATOM 1062 C CYS A 67 -9.049 -13.923 5.454 1.00 0.00 C ATOM 1063 O CYS A 67 -7.983 -14.487 5.701 1.00 0.00 O ATOM 1064 CB CYS A 67 -8.199 -11.947 4.177 1.00 0.00 C ATOM 1065 SG CYS A 67 -8.274 -10.173 3.839 1.00 0.00 S ATOM 0 H CYS A 67 -7.779 -11.422 6.594 1.00 0.00 H new ATOM 0 HA CYS A 67 -10.142 -12.127 5.073 1.00 0.00 H new ATOM 0 HB2 CYS A 67 -7.172 -12.216 4.423 1.00 0.00 H new ATOM 0 HB3 CYS A 67 -8.462 -12.490 3.269 1.00 0.00 H new ATOM 0 HG CYS A 67 -7.318 -9.846 3.021 1.00 0.00 H new ATOM 1071 N VAL A 68 -10.195 -14.578 5.299 1.00 0.00 N ATOM 1072 CA VAL A 68 -10.267 -16.030 5.411 1.00 0.00 C ATOM 1073 C VAL A 68 -11.182 -16.619 4.343 1.00 0.00 C ATOM 1074 O VAL A 68 -12.288 -16.127 4.116 1.00 0.00 O ATOM 1075 CB VAL A 68 -10.774 -16.461 6.800 1.00 0.00 C ATOM 1076 CG1 VAL A 68 -12.092 -15.774 7.125 1.00 0.00 C ATOM 1077 CG2 VAL A 68 -10.921 -17.974 6.867 1.00 0.00 C ATOM 0 H VAL A 68 -11.086 -14.126 5.095 1.00 0.00 H new ATOM 0 HA VAL A 68 -9.255 -16.409 5.268 1.00 0.00 H new ATOM 0 HB VAL A 68 -10.040 -16.156 7.546 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -12.434 -16.091 8.110 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -11.950 -14.693 7.121 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -12.838 -16.045 6.377 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -11.280 -18.261 7.855 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -11.634 -18.304 6.112 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -9.954 -18.442 6.682 1.00 0.00 H new ATOM 1087 N HIS A 69 -10.714 -17.677 3.689 1.00 0.00 N ATOM 1088 CA HIS A 69 -11.490 -18.335 2.644 1.00 0.00 C ATOM 1089 C HIS A 69 -11.700 -19.811 2.971 1.00 0.00 C ATOM 1090 O HIS A 69 -10.797 -20.629 2.800 1.00 0.00 O ATOM 1091 CB HIS A 69 -10.789 -18.195 1.293 1.00 0.00 C ATOM 1092 CG HIS A 69 -11.397 -19.035 0.212 1.00 0.00 C ATOM 1093 ND1 HIS A 69 -10.891 -20.263 -0.161 1.00 0.00 N ATOM 1094 CD2 HIS A 69 -12.475 -18.819 -0.576 1.00 0.00 C ATOM 1095 CE1 HIS A 69 -11.632 -20.765 -1.133 1.00 0.00 C ATOM 1096 NE2 HIS A 69 -12.600 -19.908 -1.403 1.00 0.00 N ATOM 0 H HIS A 69 -9.801 -18.097 3.864 1.00 0.00 H new ATOM 0 HA HIS A 69 -12.465 -17.850 2.590 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -10.814 -17.149 0.987 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -9.740 -18.468 1.407 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -13.118 -17.951 -0.558 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -11.473 -21.714 -1.623 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -13.323 -20.035 -2.111 1.00 0.00 H new ATOM 1105 N GLY A 70 -12.897 -20.144 3.443 1.00 0.00 N ATOM 1106 CA GLY A 70 -13.203 -21.520 3.787 1.00 0.00 C ATOM 1107 C GLY A 70 -14.345 -22.083 2.964 1.00 0.00 C ATOM 1108 O GLY A 70 -14.246 -23.186 2.426 1.00 0.00 O ATOM 0 H GLY A 70 -13.661 -19.485 3.593 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -12.315 -22.134 3.639 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -13.458 -21.579 4.845 1.00 0.00 H new ATOM 1112 N ASP A 71 -15.432 -21.326 2.866 1.00 0.00 N ATOM 1113 CA ASP A 71 -16.598 -21.756 2.103 1.00 0.00 C ATOM 1114 C ASP A 71 -17.183 -23.040 2.684 1.00 0.00 C ATOM 1115 O ASP A 71 -17.840 -23.808 1.982 1.00 0.00 O ATOM 1116 CB ASP A 71 -16.223 -21.971 0.636 1.00 0.00 C ATOM 1117 CG ASP A 71 -17.372 -21.667 -0.305 1.00 0.00 C ATOM 1118 OD1 ASP A 71 -17.842 -20.510 -0.314 1.00 0.00 O ATOM 1119 OD2 ASP A 71 -17.800 -22.586 -1.034 1.00 0.00 O ATOM 0 H ASP A 71 -15.530 -20.411 3.306 1.00 0.00 H new ATOM 0 HA ASP A 71 -17.353 -20.972 2.166 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -15.373 -21.336 0.384 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -15.903 -23.003 0.493 1.00 0.00 H new ATOM 1124 N GLY A 72 -16.940 -23.266 3.971 1.00 0.00 N ATOM 1125 CA GLY A 72 -17.450 -24.458 4.624 1.00 0.00 C ATOM 1126 C GLY A 72 -16.646 -25.696 4.279 1.00 0.00 C ATOM 1127 O GLY A 72 -17.198 -26.792 4.169 1.00 0.00 O ATOM 0 H GLY A 72 -16.399 -22.645 4.573 1.00 0.00 H new ATOM 0 HA2 GLY A 72 -17.439 -24.310 5.704 1.00 0.00 H new ATOM 0 HA3 GLY A 72 -18.490 -24.611 4.334 1.00 0.00 H new ATOM 1131 N HIS A 73 -15.340 -25.523 4.107 1.00 0.00 N ATOM 1132 CA HIS A 73 -14.459 -26.636 3.771 1.00 0.00 C ATOM 1133 C HIS A 73 -13.136 -26.528 4.523 1.00 0.00 C ATOM 1134 O HIS A 73 -12.284 -25.707 4.184 1.00 0.00 O ATOM 1135 CB HIS A 73 -14.201 -26.673 2.264 1.00 0.00 C ATOM 1136 CG HIS A 73 -15.198 -27.494 1.506 1.00 0.00 C ATOM 1137 ND1 HIS A 73 -15.222 -27.567 0.129 1.00 0.00 N ATOM 1138 CD2 HIS A 73 -16.209 -28.282 1.940 1.00 0.00 C ATOM 1139 CE1 HIS A 73 -16.205 -28.362 -0.251 1.00 0.00 C ATOM 1140 NE2 HIS A 73 -16.820 -28.810 0.829 1.00 0.00 N ATOM 0 H HIS A 73 -14.868 -24.623 4.195 1.00 0.00 H new ATOM 0 HA HIS A 73 -14.952 -27.561 4.070 1.00 0.00 H new ATOM 0 HB2 HIS A 73 -14.212 -25.654 1.877 1.00 0.00 H new ATOM 0 HB3 HIS A 73 -13.203 -27.072 2.084 1.00 0.00 H new ATOM 0 HD2 HIS A 73 -16.484 -28.462 2.969 1.00 0.00 H new ATOM 0 HE1 HIS A 73 -16.463 -28.605 -1.271 1.00 0.00 H new ATOM 0 HE2 HIS A 73 -17.618 -29.445 0.837 1.00 0.00 H new ATOM 1149 N ALA A 74 -12.972 -27.362 5.545 1.00 0.00 N ATOM 1150 CA ALA A 74 -11.753 -27.361 6.344 1.00 0.00 C ATOM 1151 C ALA A 74 -10.517 -27.475 5.458 1.00 0.00 C ATOM 1152 O ALA A 74 -9.467 -26.911 5.767 1.00 0.00 O ATOM 1153 CB ALA A 74 -11.785 -28.494 7.358 1.00 0.00 C ATOM 0 H ALA A 74 -13.668 -28.047 5.839 1.00 0.00 H new ATOM 0 HA ALA A 74 -11.699 -26.413 6.879 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -10.868 -28.481 7.947 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -12.643 -28.367 8.018 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -11.867 -29.447 6.836 1.00 0.00 H new ATOM 1159 N GLU A 75 -10.648 -28.209 4.358 1.00 0.00 N ATOM 1160 CA GLU A 75 -9.540 -28.398 3.429 1.00 0.00 C ATOM 1161 C GLU A 75 -9.250 -27.113 2.659 1.00 0.00 C ATOM 1162 O GLU A 75 -8.096 -26.792 2.379 1.00 0.00 O ATOM 1163 CB GLU A 75 -9.852 -29.533 2.451 1.00 0.00 C ATOM 1164 CG GLU A 75 -11.139 -29.325 1.670 1.00 0.00 C ATOM 1165 CD GLU A 75 -11.700 -30.620 1.115 1.00 0.00 C ATOM 1166 OE1 GLU A 75 -12.065 -31.502 1.920 1.00 0.00 O ATOM 1167 OE2 GLU A 75 -11.774 -30.751 -0.125 1.00 0.00 O ATOM 0 H GLU A 75 -11.510 -28.683 4.088 1.00 0.00 H new ATOM 0 HA GLU A 75 -8.655 -28.661 4.008 1.00 0.00 H new ATOM 0 HB2 GLU A 75 -9.024 -29.636 1.750 1.00 0.00 H new ATOM 0 HB3 GLU A 75 -9.919 -30.470 3.004 1.00 0.00 H new ATOM 0 HG2 GLU A 75 -11.882 -28.860 2.318 1.00 0.00 H new ATOM 0 HG3 GLU A 75 -10.954 -28.632 0.849 1.00 0.00 H new ATOM 1174 N ASN A 76 -10.307 -26.382 2.320 1.00 0.00 N ATOM 1175 CA ASN A 76 -10.167 -25.133 1.581 1.00 0.00 C ATOM 1176 C ASN A 76 -10.331 -23.932 2.508 1.00 0.00 C ATOM 1177 O ASN A 76 -10.921 -22.918 2.130 1.00 0.00 O ATOM 1178 CB ASN A 76 -11.199 -25.065 0.453 1.00 0.00 C ATOM 1179 CG ASN A 76 -11.100 -26.247 -0.492 1.00 0.00 C ATOM 1180 OD1 ASN A 76 -10.155 -26.355 -1.273 1.00 0.00 O ATOM 1181 ND2 ASN A 76 -12.080 -27.141 -0.424 1.00 0.00 N ATOM 0 H ASN A 76 -11.270 -26.633 2.545 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.166 -25.104 1.151 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -12.200 -25.029 0.882 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -11.059 -24.141 -0.109 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -12.069 -27.958 -1.035 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -12.844 -27.011 0.239 1.00 0.00 H new ATOM 1188 N LEU A 77 -9.805 -24.052 3.722 1.00 0.00 N ATOM 1189 CA LEU A 77 -9.892 -22.976 4.703 1.00 0.00 C ATOM 1190 C LEU A 77 -8.512 -22.400 5.003 1.00 0.00 C ATOM 1191 O LEU A 77 -7.585 -23.131 5.351 1.00 0.00 O ATOM 1192 CB LEU A 77 -10.535 -23.488 5.994 1.00 0.00 C ATOM 1193 CG LEU A 77 -10.664 -22.470 7.128 1.00 0.00 C ATOM 1194 CD1 LEU A 77 -12.038 -21.820 7.108 1.00 0.00 C ATOM 1195 CD2 LEU A 77 -10.406 -23.135 8.473 1.00 0.00 C ATOM 0 H LEU A 77 -9.314 -24.883 4.051 1.00 0.00 H new ATOM 0 HA LEU A 77 -10.513 -22.184 4.284 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -11.530 -23.865 5.756 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -9.951 -24.334 6.357 1.00 0.00 H new ATOM 0 HG LEU A 77 -9.915 -21.692 6.980 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.111 -21.099 7.922 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -12.185 -21.309 6.156 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.804 -22.585 7.231 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.502 -22.396 9.269 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -11.132 -23.933 8.630 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -9.399 -23.553 8.485 1.00 0.00 H new ATOM 1207 N VAL A 78 -8.384 -21.084 4.867 1.00 0.00 N ATOM 1208 CA VAL A 78 -7.118 -20.408 5.126 1.00 0.00 C ATOM 1209 C VAL A 78 -7.338 -19.096 5.870 1.00 0.00 C ATOM 1210 O VAL A 78 -8.217 -18.311 5.516 1.00 0.00 O ATOM 1211 CB VAL A 78 -6.356 -20.123 3.818 1.00 0.00 C ATOM 1212 CG1 VAL A 78 -5.030 -19.437 4.111 1.00 0.00 C ATOM 1213 CG2 VAL A 78 -6.139 -21.410 3.037 1.00 0.00 C ATOM 0 H VAL A 78 -9.142 -20.465 4.579 1.00 0.00 H new ATOM 0 HA VAL A 78 -6.522 -21.078 5.746 1.00 0.00 H new ATOM 0 HB VAL A 78 -6.958 -19.451 3.206 1.00 0.00 H new ATOM 0 HG11 VAL A 78 -4.506 -19.244 3.175 1.00 0.00 H new ATOM 0 HG12 VAL A 78 -5.214 -18.494 4.625 1.00 0.00 H new ATOM 0 HG13 VAL A 78 -4.419 -20.081 4.743 1.00 0.00 H new ATOM 0 HG21 VAL A 78 -5.599 -21.190 2.116 1.00 0.00 H new ATOM 0 HG22 VAL A 78 -5.558 -22.108 3.640 1.00 0.00 H new ATOM 0 HG23 VAL A 78 -7.104 -21.856 2.795 1.00 0.00 H new ATOM 1223 N GLN A 79 -6.533 -18.865 6.902 1.00 0.00 N ATOM 1224 CA GLN A 79 -6.640 -17.647 7.696 1.00 0.00 C ATOM 1225 C GLN A 79 -5.436 -16.739 7.466 1.00 0.00 C ATOM 1226 O GLN A 79 -4.295 -17.130 7.716 1.00 0.00 O ATOM 1227 CB GLN A 79 -6.758 -17.990 9.182 1.00 0.00 C ATOM 1228 CG GLN A 79 -8.060 -18.688 9.543 1.00 0.00 C ATOM 1229 CD GLN A 79 -7.930 -19.565 10.772 1.00 0.00 C ATOM 1230 OE1 GLN A 79 -7.205 -19.234 11.711 1.00 0.00 O ATOM 1231 NE2 GLN A 79 -8.634 -20.691 10.774 1.00 0.00 N ATOM 0 H GLN A 79 -5.800 -19.505 7.208 1.00 0.00 H new ATOM 0 HA GLN A 79 -7.538 -17.116 7.380 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -5.922 -18.629 9.467 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -6.672 -17.074 9.766 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -8.833 -17.940 9.715 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -8.388 -19.296 8.700 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -9.222 -20.926 9.974 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -8.587 -21.321 11.575 1.00 0.00 H new ATOM 1240 N TRP A 80 -5.697 -15.528 6.989 1.00 0.00 N ATOM 1241 CA TRP A 80 -4.633 -14.565 6.725 1.00 0.00 C ATOM 1242 C TRP A 80 -5.140 -13.136 6.889 1.00 0.00 C ATOM 1243 O TRP A 80 -6.265 -12.820 6.504 1.00 0.00 O ATOM 1244 CB TRP A 80 -4.076 -14.763 5.315 1.00 0.00 C ATOM 1245 CG TRP A 80 -4.938 -14.163 4.246 1.00 0.00 C ATOM 1246 CD1 TRP A 80 -4.823 -12.915 3.704 1.00 0.00 C ATOM 1247 CD2 TRP A 80 -6.048 -14.786 3.590 1.00 0.00 C ATOM 1248 NE1 TRP A 80 -5.795 -12.724 2.752 1.00 0.00 N ATOM 1249 CE2 TRP A 80 -6.559 -13.858 2.662 1.00 0.00 C ATOM 1250 CE3 TRP A 80 -6.660 -16.038 3.695 1.00 0.00 C ATOM 1251 CZ2 TRP A 80 -7.651 -14.143 1.848 1.00 0.00 C ATOM 1252 CZ3 TRP A 80 -7.744 -16.320 2.886 1.00 0.00 C ATOM 1253 CH2 TRP A 80 -8.230 -15.377 1.972 1.00 0.00 C ATOM 0 H TRP A 80 -6.635 -15.189 6.777 1.00 0.00 H new ATOM 0 HA TRP A 80 -3.836 -14.734 7.449 1.00 0.00 H new ATOM 0 HB2 TRP A 80 -3.081 -14.321 5.260 1.00 0.00 H new ATOM 0 HB3 TRP A 80 -3.962 -15.830 5.124 1.00 0.00 H new ATOM 0 HD1 TRP A 80 -4.077 -12.185 3.983 1.00 0.00 H new ATOM 0 HE1 TRP A 80 -5.927 -11.876 2.201 1.00 0.00 H new ATOM 0 HE3 TRP A 80 -6.292 -16.772 4.396 1.00 0.00 H new ATOM 0 HZ2 TRP A 80 -8.028 -13.416 1.144 1.00 0.00 H new ATOM 0 HZ3 TRP A 80 -8.225 -17.284 2.960 1.00 0.00 H new ATOM 0 HH2 TRP A 80 -9.078 -15.628 1.353 1.00 0.00 H new ATOM 1264 N GLU A 81 -4.302 -12.278 7.461 1.00 0.00 N ATOM 1265 CA GLU A 81 -4.667 -10.882 7.676 1.00 0.00 C ATOM 1266 C GLU A 81 -4.037 -9.986 6.614 1.00 0.00 C ATOM 1267 O GLU A 81 -2.952 -10.272 6.109 1.00 0.00 O ATOM 1268 CB GLU A 81 -4.230 -10.425 9.069 1.00 0.00 C ATOM 1269 CG GLU A 81 -5.176 -10.860 10.176 1.00 0.00 C ATOM 1270 CD GLU A 81 -6.282 -9.854 10.428 1.00 0.00 C ATOM 1271 OE1 GLU A 81 -6.620 -9.099 9.492 1.00 0.00 O ATOM 1272 OE2 GLU A 81 -6.809 -9.821 11.559 1.00 0.00 O ATOM 0 H GLU A 81 -3.366 -12.524 7.784 1.00 0.00 H new ATOM 0 HA GLU A 81 -5.751 -10.801 7.599 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.235 -10.820 9.276 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -4.150 -9.338 9.077 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -5.618 -11.822 9.914 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -4.609 -11.009 11.095 1.00 0.00 H new ATOM 1279 N MET A 82 -4.727 -8.900 6.279 1.00 0.00 N ATOM 1280 CA MET A 82 -4.235 -7.961 5.278 1.00 0.00 C ATOM 1281 C MET A 82 -4.280 -6.530 5.805 1.00 0.00 C ATOM 1282 O MET A 82 -5.348 -5.925 5.890 1.00 0.00 O ATOM 1283 CB MET A 82 -5.062 -8.071 3.995 1.00 0.00 C ATOM 1284 CG MET A 82 -4.611 -9.194 3.075 1.00 0.00 C ATOM 1285 SD MET A 82 -5.682 -9.386 1.637 1.00 0.00 S ATOM 1286 CE MET A 82 -5.602 -7.741 0.934 1.00 0.00 C ATOM 0 H MET A 82 -5.628 -8.649 6.686 1.00 0.00 H new ATOM 0 HA MET A 82 -3.198 -8.215 5.057 1.00 0.00 H new ATOM 0 HB2 MET A 82 -6.108 -8.227 4.259 1.00 0.00 H new ATOM 0 HB3 MET A 82 -5.007 -7.126 3.455 1.00 0.00 H new ATOM 0 HG2 MET A 82 -3.592 -8.998 2.741 1.00 0.00 H new ATOM 0 HG3 MET A 82 -4.588 -10.130 3.634 1.00 0.00 H new ATOM 0 HE1 MET A 82 -6.573 -7.256 1.032 1.00 0.00 H new ATOM 0 HE2 MET A 82 -4.849 -7.156 1.462 1.00 0.00 H new ATOM 0 HE3 MET A 82 -5.335 -7.809 -0.121 1.00 0.00 H new ATOM 1296 N GLU A 83 -3.115 -5.997 6.158 1.00 0.00 N ATOM 1297 CA GLU A 83 -3.024 -4.638 6.678 1.00 0.00 C ATOM 1298 C GLU A 83 -2.510 -3.679 5.608 1.00 0.00 C ATOM 1299 O GLU A 83 -1.695 -4.052 4.764 1.00 0.00 O ATOM 1300 CB GLU A 83 -2.104 -4.597 7.900 1.00 0.00 C ATOM 1301 CG GLU A 83 -1.972 -3.214 8.516 1.00 0.00 C ATOM 1302 CD GLU A 83 -0.973 -3.176 9.656 1.00 0.00 C ATOM 1303 OE1 GLU A 83 0.177 -3.619 9.453 1.00 0.00 O ATOM 1304 OE2 GLU A 83 -1.341 -2.702 10.751 1.00 0.00 O ATOM 0 H GLU A 83 -2.222 -6.485 6.093 1.00 0.00 H new ATOM 0 HA GLU A 83 -4.024 -4.322 6.974 1.00 0.00 H new ATOM 0 HB2 GLU A 83 -2.484 -5.287 8.654 1.00 0.00 H new ATOM 0 HB3 GLU A 83 -1.115 -4.953 7.612 1.00 0.00 H new ATOM 0 HG2 GLU A 83 -1.666 -2.505 7.746 1.00 0.00 H new ATOM 0 HG3 GLU A 83 -2.946 -2.888 8.881 1.00 0.00 H new ATOM 1311 N VAL A 84 -2.993 -2.442 5.649 1.00 0.00 N ATOM 1312 CA VAL A 84 -2.583 -1.428 4.685 1.00 0.00 C ATOM 1313 C VAL A 84 -1.482 -0.541 5.254 1.00 0.00 C ATOM 1314 O VAL A 84 -1.735 0.310 6.108 1.00 0.00 O ATOM 1315 CB VAL A 84 -3.771 -0.545 4.259 1.00 0.00 C ATOM 1316 CG1 VAL A 84 -3.318 0.521 3.273 1.00 0.00 C ATOM 1317 CG2 VAL A 84 -4.881 -1.397 3.664 1.00 0.00 C ATOM 0 H VAL A 84 -3.669 -2.117 6.340 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.203 -1.958 3.812 1.00 0.00 H new ATOM 0 HB VAL A 84 -4.164 -0.043 5.143 1.00 0.00 H new ATOM 0 HG11 VAL A 84 -4.171 1.135 2.984 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -2.560 1.150 3.740 1.00 0.00 H new ATOM 0 HG13 VAL A 84 -2.898 0.043 2.388 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -5.712 -0.757 3.369 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -4.503 -1.928 2.790 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -5.224 -2.118 4.406 1.00 0.00 H new ATOM 1327 N CYS A 85 -0.259 -0.744 4.776 1.00 0.00 N ATOM 1328 CA CYS A 85 0.882 0.037 5.238 1.00 0.00 C ATOM 1329 C CYS A 85 1.378 0.975 4.142 1.00 0.00 C ATOM 1330 O CYS A 85 0.912 0.920 3.004 1.00 0.00 O ATOM 1331 CB CYS A 85 2.014 -0.889 5.685 1.00 0.00 C ATOM 1332 SG CYS A 85 3.157 -0.140 6.869 1.00 0.00 S ATOM 0 H CYS A 85 -0.033 -1.443 4.069 1.00 0.00 H new ATOM 0 HA CYS A 85 0.559 0.639 6.087 1.00 0.00 H new ATOM 0 HB2 CYS A 85 1.582 -1.785 6.131 1.00 0.00 H new ATOM 0 HB3 CYS A 85 2.575 -1.209 4.807 1.00 0.00 H new ATOM 0 HG CYS A 85 4.077 -1.001 7.188 1.00 0.00 H new ATOM 1466 N ASN A 93 0.852 2.253 -1.223 1.00 0.00 N ATOM 1467 CA ASN A 93 0.289 1.325 -0.248 1.00 0.00 C ATOM 1468 C ASN A 93 0.926 -0.055 -0.380 1.00 0.00 C ATOM 1469 O ASN A 93 1.082 -0.575 -1.484 1.00 0.00 O ATOM 1470 CB ASN A 93 -1.227 1.219 -0.430 1.00 0.00 C ATOM 1471 CG ASN A 93 -1.957 2.447 0.078 1.00 0.00 C ATOM 1472 OD1 ASN A 93 -2.777 3.033 -0.629 1.00 0.00 O ATOM 1473 ND2 ASN A 93 -1.662 2.843 1.311 1.00 0.00 N ATOM 0 HA ASN A 93 0.502 1.710 0.749 1.00 0.00 H new ATOM 0 HB2 ASN A 93 -1.454 1.076 -1.486 1.00 0.00 H new ATOM 0 HB3 ASN A 93 -1.593 0.338 0.097 1.00 0.00 H new ATOM 0 HD21 ASN A 93 -2.122 3.663 1.707 1.00 0.00 H new ATOM 0 HD22 ASN A 93 -0.976 2.327 1.862 1.00 0.00 H new ATOM 1480 N GLY A 94 1.291 -0.643 0.755 1.00 0.00 N ATOM 1481 CA GLY A 94 1.907 -1.957 0.744 1.00 0.00 C ATOM 1482 C GLY A 94 1.003 -3.025 1.329 1.00 0.00 C ATOM 1483 O GLY A 94 0.861 -3.130 2.547 1.00 0.00 O ATOM 0 H GLY A 94 1.171 -0.233 1.681 1.00 0.00 H new ATOM 0 HA2 GLY A 94 2.166 -2.225 -0.280 1.00 0.00 H new ATOM 0 HA3 GLY A 94 2.838 -1.923 1.310 1.00 0.00 H new ATOM 1487 N VAL A 95 0.388 -3.819 0.458 1.00 0.00 N ATOM 1488 CA VAL A 95 -0.508 -4.884 0.894 1.00 0.00 C ATOM 1489 C VAL A 95 0.233 -6.211 1.013 1.00 0.00 C ATOM 1490 O VAL A 95 0.612 -6.814 0.008 1.00 0.00 O ATOM 1491 CB VAL A 95 -1.692 -5.054 -0.076 1.00 0.00 C ATOM 1492 CG1 VAL A 95 -2.642 -6.131 0.425 1.00 0.00 C ATOM 1493 CG2 VAL A 95 -2.422 -3.732 -0.263 1.00 0.00 C ATOM 0 H VAL A 95 0.494 -3.745 -0.554 1.00 0.00 H new ATOM 0 HA VAL A 95 -0.890 -4.596 1.873 1.00 0.00 H new ATOM 0 HB VAL A 95 -1.303 -5.368 -1.045 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -3.472 -6.237 -0.273 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -2.109 -7.079 0.502 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -3.026 -5.850 1.406 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -3.256 -3.871 -0.951 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -2.800 -3.386 0.699 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -1.734 -2.991 -0.671 1.00 0.00 H new ATOM 1503 N ARG A 96 0.436 -6.661 2.247 1.00 0.00 N ATOM 1504 CA ARG A 96 1.133 -7.917 2.497 1.00 0.00 C ATOM 1505 C ARG A 96 0.164 -8.985 2.996 1.00 0.00 C ATOM 1506 O ARG A 96 -0.877 -8.673 3.573 1.00 0.00 O ATOM 1507 CB ARG A 96 2.251 -7.709 3.520 1.00 0.00 C ATOM 1508 CG ARG A 96 2.981 -8.990 3.893 1.00 0.00 C ATOM 1509 CD ARG A 96 4.390 -8.704 4.387 1.00 0.00 C ATOM 1510 NE ARG A 96 4.389 -7.946 5.635 1.00 0.00 N ATOM 1511 CZ ARG A 96 3.990 -8.447 6.799 1.00 0.00 C ATOM 1512 NH1 ARG A 96 3.562 -9.700 6.873 1.00 0.00 N ATOM 1513 NH2 ARG A 96 4.019 -7.695 7.891 1.00 0.00 N ATOM 0 H ARG A 96 0.128 -6.175 3.089 1.00 0.00 H new ATOM 0 HA ARG A 96 1.569 -8.256 1.557 1.00 0.00 H new ATOM 0 HB2 ARG A 96 2.970 -6.994 3.120 1.00 0.00 H new ATOM 0 HB3 ARG A 96 1.829 -7.265 4.422 1.00 0.00 H new ATOM 0 HG2 ARG A 96 2.423 -9.516 4.667 1.00 0.00 H new ATOM 0 HG3 ARG A 96 3.025 -9.651 3.027 1.00 0.00 H new ATOM 0 HD2 ARG A 96 4.920 -9.645 4.535 1.00 0.00 H new ATOM 0 HD3 ARG A 96 4.935 -8.147 3.625 1.00 0.00 H new ATOM 0 HE ARG A 96 4.712 -6.979 5.612 1.00 0.00 H new ATOM 0 HH11 ARG A 96 3.539 -10.281 6.035 1.00 0.00 H new ATOM 0 HH12 ARG A 96 3.256 -10.082 7.768 1.00 0.00 H new ATOM 0 HH21 ARG A 96 4.348 -6.731 7.838 1.00 0.00 H new ATOM 0 HH22 ARG A 96 3.712 -8.081 8.784 1.00 0.00 H new ATOM 1527 N PHE A 97 0.515 -10.247 2.768 1.00 0.00 N ATOM 1528 CA PHE A 97 -0.324 -11.362 3.193 1.00 0.00 C ATOM 1529 C PHE A 97 0.406 -12.235 4.209 1.00 0.00 C ATOM 1530 O PHE A 97 1.555 -12.623 4.001 1.00 0.00 O ATOM 1531 CB PHE A 97 -0.739 -12.204 1.985 1.00 0.00 C ATOM 1532 CG PHE A 97 -1.731 -11.520 1.089 1.00 0.00 C ATOM 1533 CD1 PHE A 97 -1.415 -10.323 0.469 1.00 0.00 C ATOM 1534 CD2 PHE A 97 -2.982 -12.075 0.868 1.00 0.00 C ATOM 1535 CE1 PHE A 97 -2.326 -9.691 -0.356 1.00 0.00 C ATOM 1536 CE2 PHE A 97 -3.897 -11.448 0.043 1.00 0.00 C ATOM 1537 CZ PHE A 97 -3.569 -10.254 -0.568 1.00 0.00 C ATOM 0 H PHE A 97 1.374 -10.523 2.292 1.00 0.00 H new ATOM 0 HA PHE A 97 -1.217 -10.953 3.666 1.00 0.00 H new ATOM 0 HB2 PHE A 97 0.149 -12.455 1.405 1.00 0.00 H new ATOM 0 HB3 PHE A 97 -1.166 -13.143 2.337 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.445 -9.878 0.632 1.00 0.00 H new ATOM 0 HD2 PHE A 97 -3.245 -13.007 1.346 1.00 0.00 H new ATOM 0 HE1 PHE A 97 -2.066 -8.758 -0.834 1.00 0.00 H new ATOM 0 HE2 PHE A 97 -4.867 -11.892 -0.123 1.00 0.00 H new ATOM 0 HZ PHE A 97 -4.283 -9.761 -1.211 1.00 0.00 H new ATOM 1547 N LYS A 98 -0.270 -12.539 5.312 1.00 0.00 N ATOM 1548 CA LYS A 98 0.311 -13.367 6.362 1.00 0.00 C ATOM 1549 C LYS A 98 -0.535 -14.613 6.604 1.00 0.00 C ATOM 1550 O LYS A 98 -1.671 -14.523 7.071 1.00 0.00 O ATOM 1551 CB LYS A 98 0.439 -12.565 7.659 1.00 0.00 C ATOM 1552 CG LYS A 98 1.012 -13.365 8.816 1.00 0.00 C ATOM 1553 CD LYS A 98 1.379 -12.469 9.987 1.00 0.00 C ATOM 1554 CE LYS A 98 1.289 -13.215 11.309 1.00 0.00 C ATOM 1555 NZ LYS A 98 2.453 -14.120 11.516 1.00 0.00 N ATOM 0 H LYS A 98 -1.221 -12.224 5.502 1.00 0.00 H new ATOM 0 HA LYS A 98 1.303 -13.681 6.036 1.00 0.00 H new ATOM 0 HB2 LYS A 98 1.074 -11.698 7.479 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -0.544 -12.187 7.941 1.00 0.00 H new ATOM 0 HG2 LYS A 98 0.285 -14.109 9.140 1.00 0.00 H new ATOM 0 HG3 LYS A 98 1.896 -13.908 8.481 1.00 0.00 H new ATOM 0 HD2 LYS A 98 2.391 -12.088 9.851 1.00 0.00 H new ATOM 0 HD3 LYS A 98 0.713 -11.606 10.009 1.00 0.00 H new ATOM 0 HE2 LYS A 98 1.237 -12.498 12.128 1.00 0.00 H new ATOM 0 HE3 LYS A 98 0.368 -13.797 11.336 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 2.354 -14.610 12.428 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 2.489 -14.821 10.749 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 3.331 -13.562 11.516 1.00 0.00 H new ATOM 1569 N ARG A 99 0.026 -15.774 6.285 1.00 0.00 N ATOM 1570 CA ARG A 99 -0.677 -17.039 6.468 1.00 0.00 C ATOM 1571 C ARG A 99 -0.729 -17.423 7.943 1.00 0.00 C ATOM 1572 O ARG A 99 0.161 -18.110 8.448 1.00 0.00 O ATOM 1573 CB ARG A 99 0.006 -18.147 5.665 1.00 0.00 C ATOM 1574 CG ARG A 99 -0.634 -19.514 5.847 1.00 0.00 C ATOM 1575 CD ARG A 99 0.347 -20.634 5.536 1.00 0.00 C ATOM 1576 NE ARG A 99 1.294 -20.850 6.626 1.00 0.00 N ATOM 1577 CZ ARG A 99 1.939 -21.994 6.823 1.00 0.00 C ATOM 1578 NH1 ARG A 99 1.739 -23.021 6.008 1.00 0.00 N ATOM 1579 NH2 ARG A 99 2.786 -22.114 7.837 1.00 0.00 N ATOM 0 H ARG A 99 0.965 -15.866 5.898 1.00 0.00 H new ATOM 0 HA ARG A 99 -1.698 -16.914 6.107 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -0.015 -17.883 4.608 1.00 0.00 H new ATOM 0 HB3 ARG A 99 1.054 -18.204 5.959 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -0.992 -19.616 6.872 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -1.504 -19.599 5.196 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -0.203 -21.556 5.346 1.00 0.00 H new ATOM 0 HD3 ARG A 99 0.893 -20.395 4.623 1.00 0.00 H new ATOM 0 HE ARG A 99 1.470 -20.080 7.272 1.00 0.00 H new ATOM 0 HH11 ARG A 99 1.088 -22.933 5.227 1.00 0.00 H new ATOM 0 HH12 ARG A 99 2.236 -23.898 6.162 1.00 0.00 H new ATOM 0 HH21 ARG A 99 2.943 -21.327 8.467 1.00 0.00 H new ATOM 0 HH22 ARG A 99 3.281 -22.993 7.987 1.00 0.00 H new ATOM 1593 N ILE A 100 -1.775 -16.976 8.630 1.00 0.00 N ATOM 1594 CA ILE A 100 -1.942 -17.273 10.047 1.00 0.00 C ATOM 1595 C ILE A 100 -2.204 -18.759 10.269 1.00 0.00 C ATOM 1596 O ILE A 100 -1.686 -19.357 11.212 1.00 0.00 O ATOM 1597 CB ILE A 100 -3.099 -16.462 10.659 1.00 0.00 C ATOM 1598 CG1 ILE A 100 -2.764 -14.970 10.653 1.00 0.00 C ATOM 1599 CG2 ILE A 100 -3.389 -16.940 12.075 1.00 0.00 C ATOM 1600 CD1 ILE A 100 -3.882 -14.097 11.180 1.00 0.00 C ATOM 0 H ILE A 100 -2.520 -16.407 8.228 1.00 0.00 H new ATOM 0 HA ILE A 100 -1.012 -16.992 10.541 1.00 0.00 H new ATOM 0 HB ILE A 100 -3.992 -16.617 10.054 1.00 0.00 H new ATOM 0 HG12 ILE A 100 -1.870 -14.804 11.255 1.00 0.00 H new ATOM 0 HG13 ILE A 100 -2.524 -14.664 9.635 1.00 0.00 H new ATOM 0 HG21 ILE A 100 -4.209 -16.358 12.495 1.00 0.00 H new ATOM 0 HG22 ILE A 100 -3.666 -17.994 12.054 1.00 0.00 H new ATOM 0 HG23 ILE A 100 -2.500 -16.811 12.692 1.00 0.00 H new ATOM 0 HD11 ILE A 100 -3.574 -13.052 11.146 1.00 0.00 H new ATOM 0 HD12 ILE A 100 -4.771 -14.233 10.564 1.00 0.00 H new ATOM 0 HD13 ILE A 100 -4.107 -14.376 12.209 1.00 0.00 H new ATOM 1612 N SER A 101 -3.010 -19.350 9.393 1.00 0.00 N ATOM 1613 CA SER A 101 -3.342 -20.766 9.494 1.00 0.00 C ATOM 1614 C SER A 101 -3.550 -21.376 8.111 1.00 0.00 C ATOM 1615 O SER A 101 -3.849 -20.671 7.148 1.00 0.00 O ATOM 1616 CB SER A 101 -4.601 -20.957 10.342 1.00 0.00 C ATOM 1617 OG SER A 101 -4.647 -22.258 10.901 1.00 0.00 O ATOM 0 H SER A 101 -3.445 -18.870 8.605 1.00 0.00 H new ATOM 0 HA SER A 101 -2.507 -21.276 9.975 1.00 0.00 H new ATOM 0 HB2 SER A 101 -4.622 -20.214 11.139 1.00 0.00 H new ATOM 0 HB3 SER A 101 -5.486 -20.790 9.728 1.00 0.00 H new ATOM 0 HG SER A 101 -5.460 -22.354 11.440 1.00 0.00 H new ATOM 1623 N GLY A 102 -3.388 -22.693 8.021 1.00 0.00 N ATOM 1624 CA GLY A 102 -3.561 -23.376 6.752 1.00 0.00 C ATOM 1625 C GLY A 102 -2.247 -23.598 6.030 1.00 0.00 C ATOM 1626 O GLY A 102 -1.175 -23.365 6.588 1.00 0.00 O ATOM 0 H GLY A 102 -3.140 -23.298 8.804 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -4.045 -24.338 6.923 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -4.227 -22.793 6.117 1.00 0.00 H new ATOM 1630 N THR A 103 -2.329 -24.052 4.783 1.00 0.00 N ATOM 1631 CA THR A 103 -1.138 -24.309 3.983 1.00 0.00 C ATOM 1632 C THR A 103 -0.875 -23.169 3.007 1.00 0.00 C ATOM 1633 O THR A 103 -1.686 -22.253 2.874 1.00 0.00 O ATOM 1634 CB THR A 103 -1.264 -25.626 3.195 1.00 0.00 C ATOM 1635 OG1 THR A 103 -2.440 -25.599 2.379 1.00 0.00 O ATOM 1636 CG2 THR A 103 -1.322 -26.818 4.138 1.00 0.00 C ATOM 0 H THR A 103 -3.208 -24.249 4.305 1.00 0.00 H new ATOM 0 HA THR A 103 -0.302 -24.389 4.678 1.00 0.00 H new ATOM 0 HB THR A 103 -0.384 -25.728 2.560 1.00 0.00 H new ATOM 0 HG1 THR A 103 -2.511 -26.440 1.880 1.00 0.00 H new ATOM 0 HG21 THR A 103 -1.411 -27.737 3.558 1.00 0.00 H new ATOM 0 HG22 THR A 103 -0.412 -26.853 4.736 1.00 0.00 H new ATOM 0 HG23 THR A 103 -2.185 -26.719 4.796 1.00 0.00 H new ATOM 1644 N SER A 104 0.264 -23.231 2.324 1.00 0.00 N ATOM 1645 CA SER A 104 0.635 -22.202 1.361 1.00 0.00 C ATOM 1646 C SER A 104 -0.161 -22.354 0.068 1.00 0.00 C ATOM 1647 O SER A 104 -0.632 -21.370 -0.503 1.00 0.00 O ATOM 1648 CB SER A 104 2.134 -22.270 1.061 1.00 0.00 C ATOM 1649 OG SER A 104 2.458 -21.518 -0.096 1.00 0.00 O ATOM 0 H SER A 104 0.946 -23.984 2.420 1.00 0.00 H new ATOM 0 HA SER A 104 0.403 -21.231 1.798 1.00 0.00 H new ATOM 0 HB2 SER A 104 2.696 -21.891 1.914 1.00 0.00 H new ATOM 0 HB3 SER A 104 2.433 -23.309 0.919 1.00 0.00 H new ATOM 0 HG SER A 104 3.422 -21.577 -0.265 1.00 0.00 H new ATOM 1655 N ILE A 105 -0.306 -23.594 -0.387 1.00 0.00 N ATOM 1656 CA ILE A 105 -1.046 -23.876 -1.611 1.00 0.00 C ATOM 1657 C ILE A 105 -2.273 -22.979 -1.731 1.00 0.00 C ATOM 1658 O ILE A 105 -2.357 -22.143 -2.630 1.00 0.00 O ATOM 1659 CB ILE A 105 -1.493 -25.349 -1.671 1.00 0.00 C ATOM 1660 CG1 ILE A 105 -0.287 -26.262 -1.902 1.00 0.00 C ATOM 1661 CG2 ILE A 105 -2.529 -25.543 -2.768 1.00 0.00 C ATOM 1662 CD1 ILE A 105 0.553 -25.863 -3.096 1.00 0.00 C ATOM 0 H ILE A 105 0.079 -24.419 0.073 1.00 0.00 H new ATOM 0 HA ILE A 105 -0.370 -23.675 -2.442 1.00 0.00 H new ATOM 0 HB ILE A 105 -1.948 -25.615 -0.717 1.00 0.00 H new ATOM 0 HG12 ILE A 105 0.339 -26.257 -1.010 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -0.637 -27.285 -2.040 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -2.835 -26.589 -2.798 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -3.397 -24.916 -2.564 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -2.098 -25.263 -3.729 1.00 0.00 H new ATOM 0 HD11 ILE A 105 1.390 -26.554 -3.199 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -0.058 -25.896 -3.998 1.00 0.00 H new ATOM 0 HD13 ILE A 105 0.933 -24.852 -2.952 1.00 0.00 H new ATOM 1674 N ALA A 106 -3.222 -23.157 -0.818 1.00 0.00 N ATOM 1675 CA ALA A 106 -4.442 -22.360 -0.819 1.00 0.00 C ATOM 1676 C ALA A 106 -4.142 -20.895 -0.522 1.00 0.00 C ATOM 1677 O ALA A 106 -4.860 -20.001 -0.971 1.00 0.00 O ATOM 1678 CB ALA A 106 -5.434 -22.913 0.193 1.00 0.00 C ATOM 0 H ALA A 106 -3.169 -23.846 -0.068 1.00 0.00 H new ATOM 0 HA ALA A 106 -4.883 -22.418 -1.814 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -6.341 -22.308 0.182 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -5.681 -23.943 -0.065 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -4.992 -22.885 1.189 1.00 0.00 H new ATOM 1684 N PHE A 107 -3.078 -20.656 0.237 1.00 0.00 N ATOM 1685 CA PHE A 107 -2.684 -19.298 0.595 1.00 0.00 C ATOM 1686 C PHE A 107 -2.396 -18.468 -0.653 1.00 0.00 C ATOM 1687 O PHE A 107 -2.951 -17.384 -0.833 1.00 0.00 O ATOM 1688 CB PHE A 107 -1.450 -19.324 1.500 1.00 0.00 C ATOM 1689 CG PHE A 107 -1.067 -17.973 2.031 1.00 0.00 C ATOM 1690 CD1 PHE A 107 -1.758 -17.410 3.092 1.00 0.00 C ATOM 1691 CD2 PHE A 107 -0.018 -17.264 1.468 1.00 0.00 C ATOM 1692 CE1 PHE A 107 -1.408 -16.166 3.584 1.00 0.00 C ATOM 1693 CE2 PHE A 107 0.337 -16.021 1.956 1.00 0.00 C ATOM 1694 CZ PHE A 107 -0.360 -15.471 3.014 1.00 0.00 C ATOM 0 H PHE A 107 -2.473 -21.385 0.616 1.00 0.00 H new ATOM 0 HA PHE A 107 -3.512 -18.837 1.134 1.00 0.00 H new ATOM 0 HB2 PHE A 107 -1.638 -19.995 2.338 1.00 0.00 H new ATOM 0 HB3 PHE A 107 -0.610 -19.738 0.943 1.00 0.00 H new ATOM 0 HD1 PHE A 107 -2.580 -17.949 3.540 1.00 0.00 H new ATOM 0 HD2 PHE A 107 0.528 -17.688 0.638 1.00 0.00 H new ATOM 0 HE1 PHE A 107 -1.953 -15.739 4.413 1.00 0.00 H new ATOM 0 HE2 PHE A 107 1.159 -15.480 1.511 1.00 0.00 H new ATOM 0 HZ PHE A 107 -0.086 -14.498 3.395 1.00 0.00 H new ATOM 1704 N LYS A 108 -1.524 -18.985 -1.511 1.00 0.00 N ATOM 1705 CA LYS A 108 -1.161 -18.294 -2.743 1.00 0.00 C ATOM 1706 C LYS A 108 -2.279 -18.399 -3.775 1.00 0.00 C ATOM 1707 O LYS A 108 -2.689 -17.400 -4.364 1.00 0.00 O ATOM 1708 CB LYS A 108 0.133 -18.876 -3.316 1.00 0.00 C ATOM 1709 CG LYS A 108 1.376 -18.479 -2.538 1.00 0.00 C ATOM 1710 CD LYS A 108 2.466 -19.531 -2.652 1.00 0.00 C ATOM 1711 CE LYS A 108 3.134 -19.495 -4.018 1.00 0.00 C ATOM 1712 NZ LYS A 108 4.210 -18.468 -4.082 1.00 0.00 N ATOM 0 H LYS A 108 -1.055 -19.881 -1.376 1.00 0.00 H new ATOM 0 HA LYS A 108 -1.006 -17.241 -2.508 1.00 0.00 H new ATOM 0 HB2 LYS A 108 0.057 -19.963 -3.332 1.00 0.00 H new ATOM 0 HB3 LYS A 108 0.242 -18.549 -4.350 1.00 0.00 H new ATOM 0 HG2 LYS A 108 1.750 -17.525 -2.910 1.00 0.00 H new ATOM 0 HG3 LYS A 108 1.118 -18.333 -1.489 1.00 0.00 H new ATOM 0 HD2 LYS A 108 3.214 -19.368 -1.876 1.00 0.00 H new ATOM 0 HD3 LYS A 108 2.039 -20.519 -2.480 1.00 0.00 H new ATOM 0 HE2 LYS A 108 3.554 -20.475 -4.243 1.00 0.00 H new ATOM 0 HE3 LYS A 108 2.386 -19.286 -4.783 1.00 0.00 H new ATOM 0 HZ1 LYS A 108 4.641 -18.475 -5.029 1.00 0.00 H new ATOM 0 HZ2 LYS A 108 3.805 -17.529 -3.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 108 4.937 -18.682 -3.370 1.00 0.00 H new ATOM 1726 N ASN A 109 -2.769 -19.616 -3.989 1.00 0.00 N ATOM 1727 CA ASN A 109 -3.840 -19.851 -4.950 1.00 0.00 C ATOM 1728 C ASN A 109 -4.904 -18.761 -4.856 1.00 0.00 C ATOM 1729 O ASN A 109 -5.350 -18.226 -5.871 1.00 0.00 O ATOM 1730 CB ASN A 109 -4.476 -21.222 -4.711 1.00 0.00 C ATOM 1731 CG ASN A 109 -3.696 -22.344 -5.368 1.00 0.00 C ATOM 1732 OD1 ASN A 109 -3.468 -22.331 -6.578 1.00 0.00 O ATOM 1733 ND2 ASN A 109 -3.281 -23.322 -4.571 1.00 0.00 N ATOM 0 H ASN A 109 -2.441 -20.455 -3.510 1.00 0.00 H new ATOM 0 HA ASN A 109 -3.408 -19.827 -5.951 1.00 0.00 H new ATOM 0 HB2 ASN A 109 -4.541 -21.408 -3.639 1.00 0.00 H new ATOM 0 HB3 ASN A 109 -5.496 -21.218 -5.096 1.00 0.00 H new ATOM 0 HD21 ASN A 109 -2.750 -24.103 -4.956 1.00 0.00 H new ATOM 0 HD22 ASN A 109 -3.493 -23.292 -3.574 1.00 0.00 H new ATOM 1740 N ILE A 110 -5.305 -18.438 -3.631 1.00 0.00 N ATOM 1741 CA ILE A 110 -6.314 -17.411 -3.404 1.00 0.00 C ATOM 1742 C ILE A 110 -5.708 -16.015 -3.491 1.00 0.00 C ATOM 1743 O ILE A 110 -6.399 -15.045 -3.800 1.00 0.00 O ATOM 1744 CB ILE A 110 -6.991 -17.580 -2.031 1.00 0.00 C ATOM 1745 CG1 ILE A 110 -8.213 -16.666 -1.924 1.00 0.00 C ATOM 1746 CG2 ILE A 110 -6.002 -17.284 -0.914 1.00 0.00 C ATOM 1747 CD1 ILE A 110 -9.350 -17.067 -2.838 1.00 0.00 C ATOM 0 H ILE A 110 -4.947 -18.873 -2.781 1.00 0.00 H new ATOM 0 HA ILE A 110 -7.064 -17.528 -4.186 1.00 0.00 H new ATOM 0 HB ILE A 110 -7.324 -18.613 -1.931 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -8.568 -16.667 -0.894 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -7.914 -15.644 -2.157 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -6.495 -17.408 0.050 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -5.160 -17.972 -0.982 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -5.642 -16.260 -1.009 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -10.182 -16.375 -2.709 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -9.012 -17.038 -3.874 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.676 -18.077 -2.591 1.00 0.00 H new ATOM 1759 N ALA A 111 -4.410 -15.922 -3.218 1.00 0.00 N ATOM 1760 CA ALA A 111 -3.709 -14.645 -3.269 1.00 0.00 C ATOM 1761 C ALA A 111 -3.733 -14.061 -4.678 1.00 0.00 C ATOM 1762 O ALA A 111 -3.948 -12.863 -4.860 1.00 0.00 O ATOM 1763 CB ALA A 111 -2.274 -14.811 -2.790 1.00 0.00 C ATOM 0 H ALA A 111 -3.823 -16.715 -2.959 1.00 0.00 H new ATOM 0 HA ALA A 111 -4.224 -13.950 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -1.762 -13.850 -2.833 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -2.273 -15.176 -1.763 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -1.757 -15.526 -3.430 1.00 0.00 H new ATOM 1769 N SER A 112 -3.512 -14.915 -5.672 1.00 0.00 N ATOM 1770 CA SER A 112 -3.505 -14.483 -7.064 1.00 0.00 C ATOM 1771 C SER A 112 -4.814 -13.787 -7.424 1.00 0.00 C ATOM 1772 O SER A 112 -4.815 -12.676 -7.955 1.00 0.00 O ATOM 1773 CB SER A 112 -3.279 -15.679 -7.991 1.00 0.00 C ATOM 1774 OG SER A 112 -3.069 -15.257 -9.327 1.00 0.00 O ATOM 0 H SER A 112 -3.335 -15.911 -5.539 1.00 0.00 H new ATOM 0 HA SER A 112 -2.688 -13.773 -7.193 1.00 0.00 H new ATOM 0 HB2 SER A 112 -2.417 -16.251 -7.648 1.00 0.00 H new ATOM 0 HB3 SER A 112 -4.141 -16.344 -7.948 1.00 0.00 H new ATOM 0 HG SER A 112 -2.925 -16.040 -9.899 1.00 0.00 H new ATOM 1780 N LYS A 113 -5.928 -14.448 -7.130 1.00 0.00 N ATOM 1781 CA LYS A 113 -7.246 -13.895 -7.421 1.00 0.00 C ATOM 1782 C LYS A 113 -7.407 -12.515 -6.791 1.00 0.00 C ATOM 1783 O LYS A 113 -7.643 -11.528 -7.489 1.00 0.00 O ATOM 1784 CB LYS A 113 -8.340 -14.833 -6.906 1.00 0.00 C ATOM 1785 CG LYS A 113 -8.627 -16.000 -7.835 1.00 0.00 C ATOM 1786 CD LYS A 113 -9.558 -17.012 -7.188 1.00 0.00 C ATOM 1787 CE LYS A 113 -8.816 -17.907 -6.208 1.00 0.00 C ATOM 1788 NZ LYS A 113 -9.506 -19.212 -6.016 1.00 0.00 N ATOM 0 H LYS A 113 -5.945 -15.368 -6.690 1.00 0.00 H new ATOM 0 HA LYS A 113 -7.341 -13.795 -8.502 1.00 0.00 H new ATOM 0 HB2 LYS A 113 -8.046 -15.220 -5.930 1.00 0.00 H new ATOM 0 HB3 LYS A 113 -9.257 -14.262 -6.759 1.00 0.00 H new ATOM 0 HG2 LYS A 113 -9.075 -15.630 -8.758 1.00 0.00 H new ATOM 0 HG3 LYS A 113 -7.691 -16.488 -8.108 1.00 0.00 H new ATOM 0 HD2 LYS A 113 -10.361 -16.489 -6.668 1.00 0.00 H new ATOM 0 HD3 LYS A 113 -10.024 -17.624 -7.960 1.00 0.00 H new ATOM 0 HE2 LYS A 113 -7.803 -18.082 -6.571 1.00 0.00 H new ATOM 0 HE3 LYS A 113 -8.727 -17.399 -5.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 113 -8.969 -19.793 -5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 113 -10.464 -19.047 -5.645 1.00 0.00 H new ATOM 0 HZ3 LYS A 113 -9.568 -19.709 -6.927 1.00 0.00 H new ATOM 1802 N ILE A 114 -7.277 -12.453 -5.471 1.00 0.00 N ATOM 1803 CA ILE A 114 -7.406 -11.193 -4.749 1.00 0.00 C ATOM 1804 C ILE A 114 -6.589 -10.092 -5.416 1.00 0.00 C ATOM 1805 O ILE A 114 -7.061 -8.967 -5.578 1.00 0.00 O ATOM 1806 CB ILE A 114 -6.954 -11.336 -3.283 1.00 0.00 C ATOM 1807 CG1 ILE A 114 -7.789 -12.402 -2.571 1.00 0.00 C ATOM 1808 CG2 ILE A 114 -7.065 -10.000 -2.563 1.00 0.00 C ATOM 1809 CD1 ILE A 114 -9.280 -12.155 -2.651 1.00 0.00 C ATOM 0 H ILE A 114 -7.082 -13.260 -4.879 1.00 0.00 H new ATOM 0 HA ILE A 114 -8.462 -10.923 -4.771 1.00 0.00 H new ATOM 0 HB ILE A 114 -5.910 -11.650 -3.268 1.00 0.00 H new ATOM 0 HG12 ILE A 114 -7.566 -13.376 -3.006 1.00 0.00 H new ATOM 0 HG13 ILE A 114 -7.492 -12.445 -1.523 1.00 0.00 H new ATOM 0 HG21 ILE A 114 -6.742 -10.116 -1.528 1.00 0.00 H new ATOM 0 HG22 ILE A 114 -6.432 -9.265 -3.060 1.00 0.00 H new ATOM 0 HG23 ILE A 114 -8.100 -9.660 -2.584 1.00 0.00 H new ATOM 0 HD11 ILE A 114 -9.809 -12.950 -2.125 1.00 0.00 H new ATOM 0 HD12 ILE A 114 -9.515 -11.196 -2.190 1.00 0.00 H new ATOM 0 HD13 ILE A 114 -9.591 -12.142 -3.696 1.00 0.00 H new ATOM 1821 N ALA A 115 -5.361 -10.424 -5.801 1.00 0.00 N ATOM 1822 CA ALA A 115 -4.480 -9.464 -6.455 1.00 0.00 C ATOM 1823 C ALA A 115 -5.060 -9.005 -7.788 1.00 0.00 C ATOM 1824 O ALA A 115 -5.146 -7.808 -8.058 1.00 0.00 O ATOM 1825 CB ALA A 115 -3.099 -10.069 -6.659 1.00 0.00 C ATOM 0 H ALA A 115 -4.954 -11.350 -5.671 1.00 0.00 H new ATOM 0 HA ALA A 115 -4.391 -8.591 -5.808 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -2.452 -9.341 -7.148 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -2.674 -10.341 -5.693 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -3.180 -10.959 -7.283 1.00 0.00 H new ATOM 1831 N ASN A 116 -5.457 -9.964 -8.617 1.00 0.00 N ATOM 1832 CA ASN A 116 -6.029 -9.657 -9.923 1.00 0.00 C ATOM 1833 C ASN A 116 -7.265 -8.775 -9.783 1.00 0.00 C ATOM 1834 O ASN A 116 -7.435 -7.805 -10.521 1.00 0.00 O ATOM 1835 CB ASN A 116 -6.391 -10.948 -10.661 1.00 0.00 C ATOM 1836 CG ASN A 116 -5.189 -11.591 -11.326 1.00 0.00 C ATOM 1837 OD1 ASN A 116 -4.337 -10.904 -11.890 1.00 0.00 O ATOM 1838 ND2 ASN A 116 -5.116 -12.915 -11.263 1.00 0.00 N ATOM 0 H ASN A 116 -5.393 -10.960 -8.408 1.00 0.00 H new ATOM 0 HA ASN A 116 -5.281 -9.114 -10.500 1.00 0.00 H new ATOM 0 HB2 ASN A 116 -6.834 -11.653 -9.958 1.00 0.00 H new ATOM 0 HB3 ASN A 116 -7.148 -10.732 -11.415 1.00 0.00 H new ATOM 0 HD21 ASN A 116 -4.330 -13.403 -11.693 1.00 0.00 H new ATOM 0 HD22 ASN A 116 -5.845 -13.444 -10.785 1.00 0.00 H new ATOM 1845 N GLU A 117 -8.125 -9.118 -8.829 1.00 0.00 N ATOM 1846 CA GLU A 117 -9.346 -8.357 -8.592 1.00 0.00 C ATOM 1847 C GLU A 117 -9.023 -6.953 -8.090 1.00 0.00 C ATOM 1848 O GLU A 117 -9.657 -5.976 -8.492 1.00 0.00 O ATOM 1849 CB GLU A 117 -10.236 -9.080 -7.578 1.00 0.00 C ATOM 1850 CG GLU A 117 -10.622 -10.487 -8.002 1.00 0.00 C ATOM 1851 CD GLU A 117 -11.023 -10.567 -9.463 1.00 0.00 C ATOM 1852 OE1 GLU A 117 -11.590 -9.581 -9.978 1.00 0.00 O ATOM 1853 OE2 GLU A 117 -10.768 -11.616 -10.090 1.00 0.00 O ATOM 0 H GLU A 117 -7.999 -9.917 -8.208 1.00 0.00 H new ATOM 0 HA GLU A 117 -9.880 -8.273 -9.538 1.00 0.00 H new ATOM 0 HB2 GLU A 117 -9.717 -9.127 -6.621 1.00 0.00 H new ATOM 0 HB3 GLU A 117 -11.142 -8.495 -7.421 1.00 0.00 H new ATOM 0 HG2 GLU A 117 -9.783 -11.160 -7.822 1.00 0.00 H new ATOM 0 HG3 GLU A 117 -11.449 -10.835 -7.383 1.00 0.00 H new ATOM 1860 N LEU A 118 -8.033 -6.859 -7.210 1.00 0.00 N ATOM 1861 CA LEU A 118 -7.624 -5.574 -6.652 1.00 0.00 C ATOM 1862 C LEU A 118 -6.639 -4.867 -7.577 1.00 0.00 C ATOM 1863 O LEU A 118 -5.811 -4.073 -7.130 1.00 0.00 O ATOM 1864 CB LEU A 118 -6.993 -5.773 -5.272 1.00 0.00 C ATOM 1865 CG LEU A 118 -7.964 -5.834 -4.093 1.00 0.00 C ATOM 1866 CD1 LEU A 118 -7.402 -6.710 -2.984 1.00 0.00 C ATOM 1867 CD2 LEU A 118 -8.258 -4.435 -3.571 1.00 0.00 C ATOM 0 H LEU A 118 -7.498 -7.657 -6.867 1.00 0.00 H new ATOM 0 HA LEU A 118 -8.512 -4.950 -6.552 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -6.415 -6.697 -5.289 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -6.289 -4.960 -5.096 1.00 0.00 H new ATOM 0 HG LEU A 118 -8.899 -6.275 -4.439 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -8.107 -6.742 -2.153 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -7.242 -7.719 -3.363 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -6.454 -6.298 -2.640 1.00 0.00 H new ATOM 0 HD21 LEU A 118 -8.951 -4.498 -2.732 1.00 0.00 H new ATOM 0 HD22 LEU A 118 -7.330 -3.967 -3.241 1.00 0.00 H new ATOM 0 HD23 LEU A 118 -8.704 -3.836 -4.365 1.00 0.00 H new ATOM 1879 N LYS A 119 -6.736 -5.159 -8.870 1.00 0.00 N ATOM 1880 CA LYS A 119 -5.857 -4.549 -9.860 1.00 0.00 C ATOM 1881 C LYS A 119 -4.449 -4.369 -9.301 1.00 0.00 C ATOM 1882 O LYS A 119 -3.795 -3.356 -9.552 1.00 0.00 O ATOM 1883 CB LYS A 119 -6.417 -3.196 -10.306 1.00 0.00 C ATOM 1884 CG LYS A 119 -7.539 -3.308 -11.323 1.00 0.00 C ATOM 1885 CD LYS A 119 -7.023 -3.781 -12.672 1.00 0.00 C ATOM 1886 CE LYS A 119 -7.957 -3.372 -13.801 1.00 0.00 C ATOM 1887 NZ LYS A 119 -7.623 -4.065 -15.076 1.00 0.00 N ATOM 0 H LYS A 119 -7.415 -5.815 -9.256 1.00 0.00 H new ATOM 0 HA LYS A 119 -5.805 -5.215 -10.721 1.00 0.00 H new ATOM 0 HB2 LYS A 119 -6.783 -2.658 -9.432 1.00 0.00 H new ATOM 0 HB3 LYS A 119 -5.610 -2.601 -10.732 1.00 0.00 H new ATOM 0 HG2 LYS A 119 -8.295 -4.003 -10.957 1.00 0.00 H new ATOM 0 HG3 LYS A 119 -8.026 -2.339 -11.438 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -6.032 -3.365 -12.850 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -6.916 -4.866 -12.662 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -8.986 -3.601 -13.522 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -7.899 -2.294 -13.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -8.282 -3.759 -15.820 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -6.650 -3.827 -15.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -7.703 -5.093 -14.944 1.00 0.00 H new ATOM 1901 N LEU A 120 -3.988 -5.358 -8.543 1.00 0.00 N ATOM 1902 CA LEU A 120 -2.656 -5.309 -7.949 1.00 0.00 C ATOM 1903 C LEU A 120 -1.621 -5.928 -8.883 1.00 0.00 C ATOM 1904 O LEU A 120 -1.968 -6.537 -9.895 1.00 0.00 O ATOM 1905 CB LEU A 120 -2.649 -6.040 -6.605 1.00 0.00 C ATOM 1906 CG LEU A 120 -3.664 -5.553 -5.571 1.00 0.00 C ATOM 1907 CD1 LEU A 120 -3.661 -6.462 -4.352 1.00 0.00 C ATOM 1908 CD2 LEU A 120 -3.367 -4.116 -5.168 1.00 0.00 C ATOM 0 H LEU A 120 -4.516 -6.203 -8.325 1.00 0.00 H new ATOM 0 HA LEU A 120 -2.394 -4.263 -7.788 1.00 0.00 H new ATOM 0 HB2 LEU A 120 -2.828 -7.099 -6.789 1.00 0.00 H new ATOM 0 HB3 LEU A 120 -1.652 -5.956 -6.173 1.00 0.00 H new ATOM 0 HG LEU A 120 -4.656 -5.585 -6.021 1.00 0.00 H new ATOM 0 HD11 LEU A 120 -4.390 -6.100 -3.626 1.00 0.00 H new ATOM 0 HD12 LEU A 120 -3.922 -7.476 -4.654 1.00 0.00 H new ATOM 0 HD13 LEU A 120 -2.669 -6.462 -3.901 1.00 0.00 H new ATOM 0 HD21 LEU A 120 -4.099 -3.786 -4.431 1.00 0.00 H new ATOM 0 HD22 LEU A 120 -2.368 -4.058 -4.737 1.00 0.00 H new ATOM 0 HD23 LEU A 120 -3.421 -3.473 -6.047 1.00 0.00 H new ATOM 1920 N SER A 121 -0.348 -5.769 -8.535 1.00 0.00 N ATOM 1921 CA SER A 121 0.739 -6.311 -9.343 1.00 0.00 C ATOM 1922 C SER A 121 0.438 -7.745 -9.766 1.00 0.00 C ATOM 1923 O SER A 121 0.609 -8.110 -10.929 1.00 0.00 O ATOM 1924 CB SER A 121 2.055 -6.262 -8.564 1.00 0.00 C ATOM 1925 OG SER A 121 3.167 -6.371 -9.435 1.00 0.00 O ATOM 0 H SER A 121 -0.044 -5.269 -7.699 1.00 0.00 H new ATOM 0 HA SER A 121 0.833 -5.698 -10.240 1.00 0.00 H new ATOM 0 HB2 SER A 121 2.116 -5.328 -8.006 1.00 0.00 H new ATOM 0 HB3 SER A 121 2.080 -7.071 -7.834 1.00 0.00 H new ATOM 0 HG SER A 121 3.996 -6.335 -8.913 1.00 0.00 H new ATOM 1931 N GLY A 122 -0.011 -8.556 -8.812 1.00 0.00 N ATOM 1932 CA GLY A 122 -0.328 -9.941 -9.105 1.00 0.00 C ATOM 1933 C GLY A 122 0.851 -10.696 -9.687 1.00 0.00 C ATOM 1934 O GLY A 122 0.894 -11.000 -10.879 1.00 0.00 O ATOM 0 H GLY A 122 -0.161 -8.278 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 122 -0.657 -10.436 -8.191 1.00 0.00 H new ATOM 0 HA3 GLY A 122 -1.162 -9.979 -9.806 1.00 0.00 H new ATOM 1938 N PRO A 123 1.838 -11.008 -8.834 1.00 0.00 N ATOM 1939 CA PRO A 123 3.042 -11.734 -9.248 1.00 0.00 C ATOM 1940 C PRO A 123 2.750 -13.190 -9.597 1.00 0.00 C ATOM 1941 O PRO A 123 2.850 -14.074 -8.746 1.00 0.00 O ATOM 1942 CB PRO A 123 3.948 -11.651 -8.017 1.00 0.00 C ATOM 1943 CG PRO A 123 3.013 -11.475 -6.870 1.00 0.00 C ATOM 1944 CD PRO A 123 1.854 -10.677 -7.399 1.00 0.00 C ATOM 0 HA PRO A 123 3.484 -11.309 -10.149 1.00 0.00 H new ATOM 0 HB2 PRO A 123 4.547 -12.555 -7.905 1.00 0.00 H new ATOM 0 HB3 PRO A 123 4.643 -10.815 -8.093 1.00 0.00 H new ATOM 0 HG2 PRO A 123 2.680 -12.439 -6.487 1.00 0.00 H new ATOM 0 HG3 PRO A 123 3.501 -10.955 -6.045 1.00 0.00 H new ATOM 0 HD2 PRO A 123 0.919 -10.955 -6.912 1.00 0.00 H new ATOM 0 HD3 PRO A 123 1.994 -9.609 -7.235 1.00 0.00 H new